NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16119 |
1zgg   |
cing | 1-original | 3 | AMBER | distance | general distance | simple |
#
# 3 ILE HN 33 ASN O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 502, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&end
#
# 3 ILE N 33 ASN O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 PHE HN 35 ARG+ O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 71, 542, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 5 PHE N 35 ARG+ O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 542, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ILE HN 79 LEU O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 52,1180, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 4 ILE N 79 LEU O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 51,1180, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 VAL HN 81 LEU O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 91,1215, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 6 VAL N 81 LEU O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 90,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 ASP- O 79 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1163, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 2 ASP- O 79 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 VAL HN 101 LYS+ O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1552, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 80 VAL N 101 LYS+ O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1552, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ILE O 81 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 69,1198, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 4 ILE O 81 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 69,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 ALA HN 103 PHE O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1217,1588, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 82 ALA N 103 PHE O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1216,1588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 VAL O 103 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1196,1570, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 80 VAL O 103 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1196,1569, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 ALA O 105 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1604, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 82 ALA O 105 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1603, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 PHE O 37 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 89, 555, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 5 PHE O 37 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 89, 554, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 ILE O 35 ARG+ HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 50, 520, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 3 ILE O 35 ARG+ N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 50, 519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR O 88 LYS+ HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1309, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 84 THR O 88 LYS+ N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 HIS O 89 GLN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1273,1331, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 85 HIS O 89 GLN N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1273,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 GLN O 90 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1348, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 86 GLN O 90 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 HIS O 91 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1307,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 87 HIS O 91 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1307,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 LYS+ O 92 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1386, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 88 LYS+ O 92 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 ILE O 94 GLN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1365,1407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 90 ILE O 94 GLN N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1365,1406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 ILE O 95 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1384,1424, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 91 ILE O 95 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1384,1423, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 THR O 108 TYR HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1660, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 104 THR O 108 TYR N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 PRO O 19 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 225, 269, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 15 PRO O 19 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 225, 268, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 MET O 20 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 279, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 16 MET O 20 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 278, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 ALA O 21 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 252, 298, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 17 ALA O 21 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 252, 297, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 GLU- O 22 LYS+ HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 318, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 18 GLU- O 22 LYS+ N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ALA O 23 SER HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 340, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 19 ALA O 23 SER N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 339, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 LEU O 24 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 351, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 20 LEU O 24 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 350, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 PHE O 25 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 370, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 21 PHE O 25 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 LYS+ O 26 GLU- HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 380, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 22 LYS+ O 26 GLU- N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 379, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 SER O 27 ARG+ HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 395, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 23 SER O 27 ARG+ N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ILE O 28 GLU- HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 419, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 24 ILE O 28 GLU- N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 418, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ALA O 29 GLY HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 434, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 25 ALA O 29 GLY N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 433, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 HIS O 54 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 782, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 50 HIS O 54 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 781, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 ALA O 55 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 749, 792, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 51 ALA O 55 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 749, 791, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 VAL O 56 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 811, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 52 VAL O 56 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 810, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 53 GLU- O 57 GLU- HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 780, 831, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 53 GLU- O 57 GLU- N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 780, 830, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 ALA O 58 LYS+ HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 846, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 54 ALA O 58 LYS+ N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 HIS O 91 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1307,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 87 HIS O 91 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1307,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 HIS O 91 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1307,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 87 HIS O 91 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1307,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 LYS+ O 92 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1386, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 88 LYS+ O 92 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 ILE O 94 GLN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1365,1407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 90 ILE O 94 GLN N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1365,1406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 133 GLU- O 137 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=2044,2095, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 133 GLU- O 137 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat=2044,2094, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 GLU- O 75 GLU- HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1115, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 71 GLU- O 75 GLU- N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLU- O 76 SER HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1130, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 72 GLU- O 76 SER N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1129, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 LEU O 77 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=1096,1141, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 73 LEU O 77 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat=1096,1140, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 134 LEU O 138 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=2063,2114, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 134 LEU O 138 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat=2063,2113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 GLU- O 139 ARG+ HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2133, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 135 GLU- O 139 ARG+ N 3.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 137 LEU O 141 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=2112,2174, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 137 LEU O 141 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat=2112,2173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 GLN O 144 GLN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat=2172,2225, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 140 GLN O 144 GLN N 3.00
&rst
ixpk= 0, nxpk= 0, iat=2172,2224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 LYS+ HA 101 LYS+ HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 101 LYS+ HA 102 VAL HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1534,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 LYS+ QB 102 VAL HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1536,1537,
&end
#
# 102 VAL HA 102 VAL HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1556,1554, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 102 VAL HA 103 PHE HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1556,1570, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 102 VAL HB 103 PHE HN 4.7
&rst
ixpk= 0, nxpk= 0, iat=1558,1570, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 102 VAL HN 103 PHE HN 4.5
&rst
ixpk= 0, nxpk= 0, iat=1554,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE HA 103 PHE HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1572,1570, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 103 PHE HA 104 THR HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1572,1590, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 103 PHE HN 104 THR HN 4.3
&rst
ixpk= 0, nxpk= 0, iat=1570,1590, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 103 PHE QB 104 THR HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1574,1575,
&end
#
# 104 THR HA 104 THR HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1592,1590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 104 THR HA 105 LEU HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1592,1604, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 104 THR HB 105 LEU HN 4.7
&rst
ixpk= 0, nxpk= 0, iat=1594,1604, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 104 THR HN 105 LEU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=1590,1604, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 105 LEU HA 105 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 ILE HA 124 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 ILE HA 125 ASP- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1873,1890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ILE HA 126 ILE HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1873,1902, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 124 ILE HA 127 TYR HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1873,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ILE HA 128 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1873,1942, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 124 ILE HB 125 ASP- HN 4.1
&rst
ixpk= 0, nxpk= 0, iat=1875,1890, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 124 ILE HN 125 ASP- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1871,1890, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 ILE HN 126 ILE HN 4.3
&rst
ixpk= 0, nxpk= 0, iat=1871,1902, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 125 ASP- HA 125 ASP- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1892,1890, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 125 ASP- HA 126 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1892,1902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ASP- HA 127 TYR HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1892,1921, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 125 ASP- HA 128 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1892,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ASP- HA 129 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1892,1964, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 125 ASP- HN 126 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1890,1902, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 125 ASP- HN 127 TYR HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1890,1921, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 125 ASP- QB 126 ILE HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1894,1895,
&end
#
# 126 ILE HA 126 ILE HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 126 ILE HA 127 TYR HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1904,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 ILE HA 128 LYS+ HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1904,1942, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 126 ILE HA 129 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1904,1964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 ILE HA 130 THR HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1904,1981, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 126 ILE HB 127 TYR HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1906,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 ILE HN 127 TYR HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1902,1921, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 ILE HN 128 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1902,1942, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 127 TYR HA 127 TYR HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1923,1921, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 TYR HA 128 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1923,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 TYR HA 129 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1923,1964, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 127 TYR HA 130 THR HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1923,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 TYR HA 131 ARG+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1923,1995, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 127 TYR HN 128 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1921,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 TYR HN 129 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1921,1964, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 128 LYS+ HA 128 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1944,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 128 LYS+ HA 129 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1944,1964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LYS+ HA 130 THR HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1944,1981, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 128 LYS+ HA 131 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1944,1995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LYS+ HA 132 ASP- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1944,2019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 128 LYS+ HN 129 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1942,1964, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 128 LYS+ HN 130 THR HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1942,1981, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 129 GLN HA 129 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1966,1964, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 129 GLN HA 130 THR HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1966,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 GLN HA 131 ARG+ HN 4.5
&rst
ixpk= 0, nxpk= 0, iat=1966,1995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 GLN HA 132 ASP- HN 3.7
&rst
ixpk= 0, nxpk= 0, iat=1966,2019, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 129 GLN HN 130 THR HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1964,1981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 129 GLN HN 131 ARG+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1964,1995, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 129 GLN QB 130 THR HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1968,1969,
&end
#
# 130 THR HA 130 THR HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1983,1981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 THR HA 131 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1983,1995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 THR HA 132 ASP- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1983,2019, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 130 THR HA 133 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1983,2031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 THR HA 134 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1983,2046, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 130 THR HN 131 ARG+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1981,1995, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 THR HN 132 ASP- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1981,2019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 130 THR QG2 131 ARG+ QB 4.5 (#)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1987,1988,1989,
igr2=1999,2000,
&end
#
# 130 THR QG2 131 ARG+ QG 5.5 (#)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1987,1988,1989,
igr2=2002,2003,
&end
#
# 131 ARG+ HA 131 ARG+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1997,1995, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 ARG+ HA 132 ASP- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1997,2019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 ARG+ HA 133 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1997,2031, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 131 ARG+ HA 134 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1997,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 ARG+ HA 135 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1997,2065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 131 ARG+ HN 132 ASP- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1995,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 ARG+ HN 133 GLU- HN 4.3
&rst
ixpk= 0, nxpk= 0, iat=1995,2031, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 132 ASP- HA 132 ASP- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2021,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 132 ASP- HA 133 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2021,2031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 ASP- HA 134 LEU HN 4.6
&rst
ixpk= 0, nxpk= 0, iat=2021,2046, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 132 ASP- HA 135 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2021,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 ASP- HA 136 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2021,2080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 132 ASP- HN 133 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2019,2031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 132 ASP- HN 134 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2019,2046, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 132 ASP- QB 133 GLU- HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=2023,2024,
&end
#
# 133 GLU- HA 133 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2033,2031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 GLU- HA 134 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2033,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- HA 135 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2033,2065, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 133 GLU- HA 136 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2033,2080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- HA 137 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2033,2095, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 133 GLU- HN 134 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2031,2046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 GLU- HN 135 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2031,2065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 133 GLU- QB 134 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2035,2036,
&end
#
# 134 LEU HA 134 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2048,2046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 134 LEU HA 135 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2048,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LEU HA 136 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2048,2080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 134 LEU HA 137 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2048,2095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LEU HA 138 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2048,2114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 134 LEU HN 135 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 134 LEU HN 136 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2046,2080, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 134 LEU QB 135 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2050,2051,
&end
#
# 135 GLU- HA 135 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2067,2065, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 135 GLU- HA 136 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2067,2080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 GLU- HA 137 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2067,2095, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 135 GLU- HA 138 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2067,2114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 GLU- HA 139 ARG+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2067,2133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 135 GLU- HN 136 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2065,2080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 135 GLU- HN 137 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2065,2095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 136 GLU- HA 136 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2082,2080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU- HA 137 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2082,2095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 GLU- HA 138 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2082,2114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 136 GLU- HA 139 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2082,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 GLU- HA 140 GLN HN 4.6
&rst
ixpk= 0, nxpk= 0, iat=2082,2157, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 136 GLU- HN 137 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2080,2095, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU- HN 138 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2080,2114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 136 GLU- QB 137 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2084,2085,
&end
#
# 137 LEU HA 137 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2097,2095, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 LEU HA 138 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2097,2114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 LEU HA 139 ARG+ HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2097,2133, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 137 LEU HA 140 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2097,2157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 LEU HA 141 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2097,2174, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 137 LEU HN 138 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2095,2114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 LEU HN 139 ARG+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2095,2133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 137 LEU QB 138 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2099,2100,
&end
#
# 138 LEU HA 138 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2116,2114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 LEU HA 139 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2116,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 LEU HA 140 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2116,2157, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 138 LEU HA 141 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2116,2174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 LEU HA 142 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2116,2193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 138 LEU HN 139 ARG+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2114,2133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 LEU HN 140 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2114,2157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 139 ARG+ HA 139 ARG+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2135,2133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 ARG+ HA 140 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2135,2157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 ARG+ HA 141 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2135,2174, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 139 ARG+ HA 142 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2135,2193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 ARG+ HA 143 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2135,2203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 139 ARG+ HN 140 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2133,2157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 ARG+ HN 141 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2133,2174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 139 ARG+ QB 140 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2137,2138,
&end
#
# 140 GLN HA 140 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2159,2157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 140 GLN HA 141 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2159,2174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 GLN HA 142 ALA HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2159,2193, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 140 GLN HA 143 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2159,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 GLN HA 144 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2159,2225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 140 GLN HN 141 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2157,2174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 140 GLN HN 142 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2157,2193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 140 GLN QB 141 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2161,2162,
&end
#
# 141 LEU HA 141 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2176,2174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 LEU HA 142 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2176,2193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 LEU HA 143 LYS+ HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2176,2203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 141 LEU HA 144 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2176,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 LEU HN 142 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2174,2193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 LEU HN 143 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2174,2203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 141 LEU QB 142 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2178,2179,
&end
#
# 142 ALA HA 142 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2195,2193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 142 ALA HA 143 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2195,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 ALA HA 144 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=2195,2225, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 142 ALA HN 143 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2193,2203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 142 ALA HN 144 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=2193,2225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 142 ALA QB 143 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2197,2198,2199,
&end
#
# 143 LYS+ HA 143 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2205,2203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 143 LYS+ HA 144 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=2205,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 LYS+ HN 144 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2203,2225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 143 LYS+ QB 144 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2207,2208,
&end
#
# 144 GLN HA 144 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=2227,2225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 MET HA 16 MET HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 MET HA 17 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 229, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 MET HA 18 GLU- HN 4.6
&rst
ixpk= 0, nxpk= 0, iat= 229, 254, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 16 MET HA 19 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 229, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 MET HA 20 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 229, 279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 MET HN 17 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 MET HN 18 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 227, 254, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 MET QB 17 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 231, 232,
&end
#
# 17 ALA HA 17 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 246, 244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 ALA HA 18 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 246, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HA 19 ALA HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 246, 269, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 17 ALA HA 20 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 246, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HA 21 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 246, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 ALA HN 18 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 ALA HN 19 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 244, 269, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 ALA QB 18 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 248, 249, 250,
&end
#
# 18 GLU- HA 18 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 GLU- HA 19 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 256, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLU- HA 20 LEU HN 4.5
&rst
ixpk= 0, nxpk= 0, iat= 256, 279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLU- HA 21 PHE HN 3.6
&rst
ixpk= 0, nxpk= 0, iat= 256, 298, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 GLU- HA 22 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 256, 318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 GLU- HN 19 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 GLU- HN 20 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 254, 279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 GLU- QB 5 PHE QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 258, 259,
igr2= 79, 87,
&end
#
# 19 ALA HA 19 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 ALA HA 20 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ALA HA 21 PHE HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 271, 298, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 19 ALA HA 22 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 271, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ALA HA 23 SER HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 271, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ALA HN 20 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 269, 279, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 ALA HN 21 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 269, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ALA QB 20 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 273, 274, 275,
&end
#
# 20 LEU HA 20 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 281, 279, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 LEU HA 21 PHE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HA 22 LYS+ HN 4.5
&rst
ixpk= 0, nxpk= 0, iat= 281, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 LEU HA 23 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 281, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HA 24 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 281, 351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 LEU HN 21 PHE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 279, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 LEU HN 22 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 279, 318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 LEU QB 21 PHE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 283, 284,
&end
#
# 21 PHE HA 21 PHE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 300, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 PHE HA 22 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 PHE HA 23 SER HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 300, 340, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 21 PHE HA 24 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 300, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 PHE HA 25 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 300, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 PHE HN 22 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 298, 318, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 PHE HN 23 SER HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 298, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 PHE QB 22 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 302, 303,
&end
#
# 21 PHE QD 25 ALA QB 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 306, 314,
igr2= 374, 375, 376,
&end
#
# 21 PHE QE 25 ALA QB 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 308, 312,
igr2= 374, 375, 376,
&end
#
# 22 LYS+ HA 22 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 LYS+ HA 23 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 320, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS+ HA 24 ILE HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 320, 351, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 LYS+ HA 25 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 320, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS+ HA 26 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 320, 380, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 LYS+ HN 23 SER HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 318, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 LYS+ HN 24 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 318, 351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 SER HA 23 SER HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 SER HA 24 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 SER HA 25 ALA HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 342, 370, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 23 SER HA 26 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 342, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 SER HA 27 ARG+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 342, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 SER HN 24 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 SER HN 25 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 340, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 SER QB 24 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 344, 345,
&end
#
# 24 ILE HA 24 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ILE HA 25 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 353, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ILE HA 26 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 353, 380, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 24 ILE HA 27 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 353, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ILE HA 28 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 353, 419, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 24 ILE HB 25 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 355, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ILE HN 25 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ILE HN 26 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 351, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 ALA HA 25 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 372, 370, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 ALA HA 26 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 372, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ALA HA 27 ARG+ HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 372, 395, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 25 ALA HA 28 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 372, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ALA HA 29 GLY HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 372, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 ALA HN 26 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 370, 380, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 ALA HN 27 ARG+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 370, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 ALA QB 26 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 374, 375, 376,
&end
#
# 26 GLU- HA 26 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 GLU- HA 27 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLU- HA 28 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 382, 419, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 26 GLU- HA 29 GLY HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 382, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLU- HA 30 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 382, 441, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 GLU- HN 27 ARG+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 GLU- HN 28 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 380, 419, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 GLU- QB 27 ARG+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 384, 385,
&end
#
# 27 ARG+ HA 27 ARG+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ARG+ HA 28 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 ARG+ HA 29 GLY HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 397, 434, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 27 ARG+ HN 28 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ARG+ HN 29 GLY HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 395, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 27 ARG+ QB 28 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 399, 400,
&end
#
# 28 GLU- HN 29 GLY HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 419, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 GLU- HN 30 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 419, 441, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 GLU- QB 29 GLY HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 423, 424,
&end
#
# 29 GLY HN 30 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 2 ASP- HA 2 ASP- HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 23, 21, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 2 ASP- HA 33 ASN HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= 23, 490, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 2 ASP- HA 3 ILE HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 23, 33, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 2 ASP- HN 3 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 21, 33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 2 ASP- HN 79 LEU HN 4.5
&rst
ixpk= 0, nxpk= 0, iat= 21,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ASP- QB 3 ILE HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 25, 26,
&end
#
# 33 ASN HA 33 ASN HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 492, 490, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 33 ASN HA 34 VAL HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 33 ASN HN 34 VAL HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 490, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 33 ASN HN 3 ILE HN 4.1
&rst
ixpk= 0, nxpk= 0, iat= 490, 33, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 ASN QB 34 VAL HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 494, 495,
&end
#
# 34 VAL HA 2 ASP- HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 506, 23, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 34 VAL HA 34 VAL HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 VAL HA 35 ARG+ HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 34 VAL HA 4 ILE HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 506, 54, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 34 VAL HB 35 ARG+ HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 34 VAL HN 35 ARG+ HN 4.3
&rst
ixpk= 0, nxpk= 0, iat= 504, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 ARG+ HA 35 ARG+ HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 35 ARG+ HA 36 SER HN 2.4
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 35 ARG+ HN 3 ILE HN 4.1
&rst
ixpk= 0, nxpk= 0, iat= 520, 33, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 35 ARG+ HN 5 PHE HN 4.1
&rst
ixpk= 0, nxpk= 0, iat= 520, 71, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 36 SER HA 36 SER HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 36 SER HA 37 ALA HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 36 SER HA 4 ILE HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 546, 54, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 36 SER HA 6 VAL HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 546, 93, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 37 ALA HA 37 ALA HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 37 ALA HA 38 GLY HN 2.5
&rst
ixpk= 0, nxpk= 0, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 37 ALA HN 38 GLY HN 4.3
&rst
ixpk= 0, nxpk= 0, iat= 555, 565, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ALA QB 38 GLY HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 559, 560, 561,
&end
#
# 38 GLY HA2 38 GLY HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 567, 565, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 38 GLY HA2 6 VAL HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 567, 93, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 3 ILE HA 3 ILE HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 35, 33, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 3 ILE HA 4 ILE HN 2.5
&rst
ixpk= 0, nxpk= 0, iat= 35, 52, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 3 ILE HA 78 ASP- HA 6.5
&rst
ixpk= 0, nxpk= 0, iat= 35,1153, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 3 ILE HA 79 LEU HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= 35,1163, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 3 ILE HA 80 VAL HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 35,1184, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 3 ILE HB 4 ILE HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= 37, 52, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 3 ILE HB 79 LEU HB2 5.9
&rst
ixpk= 0, nxpk= 0, iat= 37,1167, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 3 ILE HN 34 VAL HA 3.1
&rst
ixpk= 0, nxpk= 0, iat= 33, 506, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 3 ILE HN 4 ILE HN 4.5
&rst
ixpk= 0, nxpk= 0, iat= 33, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE QD1 21 PHE HB2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 46, 47, 48,
&end
#
# 3 ILE QD1 21 PHE QD 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 46, 47, 48,
igr2= 306, 314,
&end
#
# 3 ILE QD1 21 PHE QE 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 46, 47, 48,
igr2= 308, 312,
&end
#
# 3 ILE QD1 34 VAL QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 46, 47, 48,
igr2= 514, 515, 516,
&end
#
# 3 ILE QD1 5 PHE QE 4.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 46, 47, 48,
igr2= 81, 85,
&end
#
# 3 ILE QD1 79 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 46, 47, 48,
igr2=1172,1173,1174,
&end
#
# 3 ILE QD1 79 LEU QD2 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 46, 47, 48,
igr2=1176,1177,1178,
&end
#
# 3 ILE QG1 79 LEU HG 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 43, 44,
&end
#
# 4 ILE HA 35 ARG+ HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= 54, 520, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 4 ILE HA 4 ILE HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 54, 52, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 4 ILE HA 5 PHE HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 54, 71, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 4 ILE HB 5 PHE HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= 56, 71, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 ILE HN 5 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 52, 71, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 ILE HN 79 LEU HN 4.1
&rst
ixpk= 0, nxpk= 0, iat= 52,1163, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 4 ILE HN 80 VAL HA 3.1
&rst
ixpk= 0, nxpk= 0, iat= 52,1184, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 4 ILE HN 81 LEU HN 4.1
&rst
ixpk= 0, nxpk= 0, iat= 52,1198, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 50 HIS HA 50 HIS HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 726, 724, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 50 HIS HA 51 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 726, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 HIS HA 52 VAL HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 726, 751, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 HIS HA 53 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 HIS HA 54 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 726, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 50 HIS HN 51 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 724, 741, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 HIS HN 52 VAL HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 724, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 50 HIS QB 51 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 728, 729,
&end
#
# 51 ALA HA 51 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 ALA HA 52 VAL HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 743, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 ALA HA 53 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 743, 767, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 51 ALA HA 54 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 743, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 ALA HA 55 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 743, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 ALA HN 52 VAL HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 741, 751, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 ALA HN 53 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 741, 767, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 ALA QB 52 VAL HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 745, 746, 747,
&end
#
# 52 VAL HA 52 VAL HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 VAL HA 53 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 VAL HA 54 ALA HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 753, 782, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 52 VAL HA 55 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 753, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 VAL HA 56 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 753, 811, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 52 VAL HB 53 GLU- HN 3.6
&rst
ixpk= 0, nxpk= 0, iat= 755, 767, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 52 VAL HN 53 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 751, 767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 VAL HN 54 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 751, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 GLU- HA 53 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 769, 767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 GLU- HA 54 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 769, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 GLU- HA 55 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 769, 792, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 53 GLU- HA 56 PHE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 769, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 GLU- HA 57 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 769, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 GLU- HN 54 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 767, 782, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 GLU- HN 55 LEU HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 767, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 GLU- QB 54 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 771, 772,
&end
#
# 54 ALA HA 54 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ALA HA 55 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ALA HA 56 PHE HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 784, 811, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 54 ALA HA 57 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 784, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ALA HA 58 LYS+ HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 784, 846, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 54 ALA HN 55 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 782, 792, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ALA HN 56 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 782, 811, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 54 ALA QB 55 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 786, 787, 788,
&end
#
# 55 LEU HA 55 LEU HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 794, 792, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 55 LEU HA 56 PHE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 794, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 LEU HA 57 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat= 794, 831, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 55 LEU HA 58 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 LEU HA 59 HIS HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 794, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 LEU HN 56 PHE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 792, 811, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 LEU HN 57 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 792, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 LEU QB 56 PHE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 796, 797,
&end
#
# 56 PHE HN 57 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 811, 831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE HN 58 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 811, 846, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 56 PHE QB 57 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 815, 816,
&end
#
# 57 GLU- HN 58 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 GLU- HN 59 HIS HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 831, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 57 GLU- QB 58 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 58 LYS+ HN 59 HIS HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= 846, 868, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 LYS+ QB 59 HIS HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 5 PHE HA 5 PHE HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 73, 71, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 5 PHE HA 6 VAL HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 73, 91, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 5 PHE HA 80 VAL HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 73,1184, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 5 PHE HA 81 LEU HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= 73,1198, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 5 PHE HA 82 ALA HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 73,1219, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 5 PHE HN 36 SER HA 3.1
&rst
ixpk= 0, nxpk= 0, iat= 71, 546, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 5 PHE HN 6 VAL HN 4.5
&rst
ixpk= 0, nxpk= 0, iat= 71, 91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 PHE QB 6 VAL HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 75, 76,
&end
#
# 6 VAL HA 37 ALA HN 3.1
&rst
ixpk= 0, nxpk= 0, iat= 93, 555, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 6 VAL HA 6 VAL HN 2.9
&rst
ixpk= 0, nxpk= 0, iat= 93, 91, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 6 VAL HA 7 CYS HN 2.3
&rst
ixpk= 0, nxpk= 0, iat= 93, 107, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 6 VAL HN 7 CYS HN 4.3
&rst
ixpk= 0, nxpk= 0, iat= 91, 107, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 VAL HN 81 LEU HN 4.1
&rst
ixpk= 0, nxpk= 0, iat= 91,1198, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 6 VAL HN 82 ALA HA 3.1
&rst
ixpk= 0, nxpk= 0, iat= 91,1219, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 6 VAL HN 83 MET HN 4.2
&rst
ixpk= 0, nxpk= 0, iat= 91,1227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 GLU- HA 71 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 GLU- HA 72 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU- HA 73 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1051,1079, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 71 GLU- HA 74 MET HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1051,1098, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU- HA 75 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1051,1115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 GLU- HN 72 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1049,1064, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 GLU- HN 73 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1049,1079, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 71 GLU- QB 72 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1053,1054,
&end
#
# 72 GLU- HA 72 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1066,1064, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 GLU- HA 73 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLU- HA 74 MET HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1066,1098, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 72 GLU- HA 75 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1066,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLU- HA 76 SER HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1066,1130, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 72 GLU- HN 73 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 GLU- HN 74 MET HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1064,1098, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 72 GLU- QB 73 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1068,1069,
&end
#
# 73 LEU HA 73 LEU HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 LEU HA 74 MET HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1081,1098, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 LEU HA 75 GLU- HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1081,1115, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 73 LEU HA 76 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1081,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 LEU HA 77 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1081,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 LEU HN 74 MET HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1079,1098, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 LEU HN 75 GLU- HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1079,1115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 LEU QB 74 MET HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1083,1084,
&end
#
# 74 MET HA 74 MET HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1100,1098, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 MET HA 75 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 MET HA 76 SER HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1100,1130, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 74 MET HN 75 GLU- HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1098,1115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 MET HN 76 SER HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1098,1130, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 74 MET QB 75 GLU- HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1102,1103,
&end
#
# 75 GLU- HN 76 SER HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 GLU- HN 77 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 75 GLU- QB 76 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1119,1120,
&end
#
# 78 ASP- HA 78 ASP- HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 78 ASP- HA 79 LEU HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1153,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ASP- QB 79 LEU HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1155,1156,
&end
#
# 79 LEU HA 101 LYS+ HN 6.5
&rst
ixpk= 0, nxpk= 0, iat=1165,1532, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 79 LEU HA 102 VAL HA 4.8
&rst
ixpk= 0, nxpk= 0, iat=1165,1556, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 79 LEU HA 79 LEU HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1165,1163, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 79 LEU HA 80 VAL HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1165,1182, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 79 LEU HN 80 VAL HN 4.3
&rst
ixpk= 0, nxpk= 0, iat=1163,1182, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 VAL HA 80 VAL HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 80 VAL HA 81 LEU HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 80 VAL HB 81 LEU HN 4.7
&rst
ixpk= 0, nxpk= 0, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 80 VAL HN 102 VAL HA 3.1
&rst
ixpk= 0, nxpk= 0, iat=1182,1556, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 80 VAL HN 103 PHE HN 4.1
&rst
ixpk= 0, nxpk= 0, iat=1182,1570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 80 VAL HN 81 LEU HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1182,1198, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 81 LEU HA 102 VAL HA 4.8
&rst
ixpk= 0, nxpk= 0, iat=1200,1556, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 81 LEU HA 103 PHE HN 3.1
&rst
ixpk= 0, nxpk= 0, iat=1200,1570, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 81 LEU HA 104 THR HA 4.8
&rst
ixpk= 0, nxpk= 0, iat=1200,1592, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 81 LEU HA 81 LEU HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1200,1198, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 81 LEU HA 82 ALA HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 81 LEU QB 82 ALA HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1202,1203,
&end
#
# 82 ALA HA 82 ALA HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1219,1217, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 82 ALA HA 83 MET HN 2.3
&rst
ixpk= 0, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 82 ALA HN 103 PHE HN 4.1
&rst
ixpk= 0, nxpk= 0, iat=1217,1570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 82 ALA HN 104 THR HA 3.1
&rst
ixpk= 0, nxpk= 0, iat=1217,1592, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 82 ALA HN 105 LEU HN 4.1
&rst
ixpk= 0, nxpk= 0, iat=1217,1604, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 82 ALA HN 83 MET HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 83 MET HA 104 THR HA 4.9
&rst
ixpk= 0, nxpk= 0, iat=1229,1592, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 MET HA 105 LEU HN 4.5
&rst
ixpk= 0, nxpk= 0, iat=1229,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 MET HA 83 MET HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 THR HA 84 THR HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1246,1244, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 84 THR HA 85 HIS HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1246,1258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 THR HA 86 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1246,1275, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 84 THR HB 85 HIS HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 HIS HA 85 HIS HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1260,1258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 HIS HA 86 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1260,1275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 HIS HA 87 HIS HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1260,1292, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 85 HIS HA 88 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1260,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 HIS HA 89 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1260,1331, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 85 HIS HN 86 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1258,1275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 HIS HN 87 HIS HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1258,1292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 85 HIS QB 86 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1262,1263,
&end
#
# 86 GLN HA 86 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1277,1275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 GLN HA 87 HIS HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1277,1292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLN HA 88 LYS+ HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1277,1309, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 86 GLN HA 89 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1277,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLN HA 90 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1277,1348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 86 GLN HN 87 HIS HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1275,1292, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 GLN HN 88 LYS+ HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1275,1309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 86 GLN QB 87 HIS HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1279,1280,
&end
#
# 87 HIS HA 87 HIS HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1294,1292, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 HIS HA 88 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1294,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 HIS HA 89 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1294,1331, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 87 HIS HA 90 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1294,1348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 HIS HA 91 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1294,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 87 HIS HN 88 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1292,1309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 HIS HN 89 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1292,1331, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 87 HIS QB 88 LYS+ HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1296,1297,
&end
#
# 88 LYS+ HA 88 LYS+ HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1311,1309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 LYS+ HA 89 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1311,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ HA 90 ILE HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1311,1348, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 88 LYS+ HA 91 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1311,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ HA 92 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1311,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 88 LYS+ HN 89 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1309,1331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 LYS+ HN 90 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1309,1348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 88 LYS+ QB 89 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1313,1314,
&end
#
# 89 GLN HA 89 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 GLN HA 90 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1333,1348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLN HA 91 ILE HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1333,1367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 89 GLN HA 92 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1333,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLN HA 93 SER HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1333,1396, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 89 GLN HN 90 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1331,1348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 GLN HN 91 ILE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1331,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 89 GLN QB 90 ILE HN 4.3
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1335,1336,
&end
#
# 90 ILE HA 90 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1350,1348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 ILE HA 91 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1350,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ILE HA 92 ALA HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1350,1386, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 90 ILE HA 93 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1350,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ILE HA 94 GLN HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1350,1407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 90 ILE HB 91 ILE HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1352,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ILE HN 91 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1348,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 ILE HN 92 ALA HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1348,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 91 ILE HA 91 ILE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 ILE HA 92 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1369,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ILE HA 93 SER HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1369,1396, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 91 ILE HA 94 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1369,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ILE HA 95 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1369,1424, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 91 ILE HB 92 ALA HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1371,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ILE HN 92 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1367,1386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 ILE HN 93 SER HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1367,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 92 ALA HA 92 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1388,1386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ALA HA 93 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1388,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ALA HA 94 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1388,1407, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 92 ALA HA 95 PHE HN 4.0
&rst
ixpk= 0, nxpk= 0, iat=1388,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 ALA HA 96 GLY HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1388,1444, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 92 ALA HN 93 SER HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1386,1396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ALA HN 94 GLN HN 4.4
&rst
ixpk= 0, nxpk= 0, iat=1386,1407, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 92 ALA QB 93 SER HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1390,1391,1392,
&end
#
# 93 SER HA 93 SER HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1398,1396, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 93 SER HA 94 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat=1398,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 SER HA 96 GLY HN 4.0
&rst
ixpk= 0, nxpk= 0, iat=1398,1444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 SER HA 97 ARG+ HN 5.0
&rst
ixpk= 0, nxpk= 0, iat=1398,1451, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 SER HN 94 GLN HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1396,1407, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 SER HN 95 PHE HN 4.2
&rst
ixpk= 0, nxpk= 0, iat=1396,1424, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 93 SER QB 94 GLN HN 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1400,1401,
&end
#
# 94 GLN HA 94 GLN HN 2.9
&rst
ixpk= 0, nxpk= 0, iat=1409,1407, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 94 GLN HN 95 PHE HN 2.8
&rst
ixpk= 0, nxpk= 0, iat=1407,1424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 HIS HA 53 GLU- HA 5.0 (# 5062:20 4.8-4.9)
&rst
ixpk= 5062, nxpk= 20, iat= 726, 769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 HIS HA 53 GLU- QB 4.3 (# 805,803,1301:20 2.3-4.4)
&rst
ixpk= 805, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 771, 772,
&end
#
# 50 HIS HA 53 GLU- QG 4.8 (# 792,2834:20 3.0-4.9)
&rst
ixpk= 792, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 774, 775,
&end
#
# 50 HIS HA 124 ILE HB 4.8 (# 2833:20 3.5-5.0)
&rst
ixpk= 2833, nxpk= 20, iat= 726,1875, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 50 HIS HA 124 ILE HA 4.8 (# 3.9-4.9)
&rst
ixpk= 3, nxpk= 20, iat= 726,1873, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 50 HIS HA 127 TYR QB 4.8 (# 5154:20 4.6-4.8)
&rst
ixpk= 5154, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1925,1926,
&end
#
# 50 HIS QB 53 GLU- HN 4.8 (# 167:20 4.2-5.0)
&rst
ixpk= 167, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 728, 729,
&end
#
# 50 HIS QB 54 ALA HN 4.8 (# 167:20 4.2-5.0)
&rst
ixpk= 167, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 728, 729,
&end
#
# 50 HIS QB 124 ILE HN 4.3 (# 167:20 3.9-4.5)
&rst
ixpk= 167, nxpk= 20, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 728, 729,
&end
#
# 50 HIS QB 51 ALA HA 4.8 (# 4.5-4.9)
&rst
ixpk= 4, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 728, 729,
&end
#
# 50 HIS QB 53 GLU- QB 4.0 (# 1313:20)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 728, 729,
igr2= 771, 772,
&end
#
# 50 HIS QB 124 ILE QD1 4.3 (# 1312:20)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 728, 729,
igr2=1884,1885,1886,
&end
#
# 50 HIS QB 124 ILE HA 2.5 (# 2838:20)
&rst
ixpk= 2838, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 728, 729,
&end
#
# 50 HIS QB 124 ILE HB 3.5 (#)
&rst
ixpk= 2838, nxpk= 20, iat= -1,1875, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 728, 729,
&end
#
# 50 HIS QB 127 TYR QB 4.5 (# 5155,5156:20)
&rst
ixpk= 5155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 728, 729,
igr2=1925,1926,
&end
#
# 51 ALA HN 48 THR HN 4.5 (#)
&rst
ixpk= 5155, nxpk= 20, iat= 741, 696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 ALA HN 52 VAL HB 4.8 (# 350:10)
&rst
ixpk= 350, nxpk= 10, iat= 741, 755, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 51 ALA HN 52 VAL QG 4.7 (# 371:10)
&rst
ixpk= 371, nxpk= 10, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 757, 758, 759, 761, 762, 763,
&end
#
# 51 ALA HN 54 ALA HN 4.8 (# 2319:10)
&rst
ixpk= 2319, nxpk= 10, iat= 741, 782, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 51 ALA QB 16 MET QB 4.8 (#)
&rst
ixpk= 2319, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 745, 746, 747,
igr2= 231, 232,
&end
#
# 51 ALA HA 55 LEU QD 5.0 (# 5026:20)
&rst
ixpk= 5026, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 801, 802, 803, 805, 806, 807,
&end
#
# 52 VAL HN 48 THR QG2 4.8 (# 1352:10)
&rst
ixpk= 1352, nxpk= 10, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 702, 703, 704,
&end
#
# 52 VAL HN 48 THR HN 3.8 (#)
&rst
ixpk= 1352, nxpk= 10, iat= 751, 696, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 52 VAL HN 50 HIS HA 4.3 (# 1346:10)
&rst
ixpk= 1346, nxpk= 10, iat= 751, 726, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 52 VAL HN 55 LEU HN 4.8 (#)
&rst
ixpk= 1346, nxpk= 10, iat= 751, 792, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 52 VAL HN 62 LEU QB 4.5 (# 1348:10)
&rst
ixpk= 1348, nxpk= 10, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 918, 919,
&end
#
# 52 VAL HA 62 LEU HG 4.8 (#)
&rst
ixpk= 1348, nxpk= 10, iat= 753, 921, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 52 VAL HA 55 LEU QB 4.8 (#)
&rst
ixpk= 1348, nxpk= 10, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 796, 797,
&end
#
# 52 VAL HA 55 LEU HG 4.8 (#)
&rst
ixpk= 1348, nxpk= 10, iat= 753, 799, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 52 VAL HB 50 HIS HA 7.0 (#)
&rst
ixpk= 1348, nxpk= 10, iat= 755, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 VAL HB 62 LEU QB 4.6 (# 1197:20)
&rst
ixpk= 1197, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 918, 919,
&end
#
# 52 VAL QG1 47 ALA QB 4.8 (#)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 757, 758, 759,
igr2= 690, 691, 692,
&end
#
# 52 VAL QG1 48 THR QG2 5.5 (#)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 757, 758, 759,
igr2= 702, 703, 704,
&end
#
# 52 VAL QG1 48 THR HN 5.5 (# 341:20)
&rst
ixpk= 341, nxpk= 20, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 757, 758, 759,
&end
#
# 52 VAL QG1 51 ALA HN 4.7 (#)
&rst
ixpk= 341, nxpk= 20, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 757, 758, 759,
&end
#
# 52 VAL QG1 51 ALA QB 4.7 (# 1832:20)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 757, 758, 759,
igr2= 745, 746, 747,
&end
#
# 52 VAL QG1 63 ASN HD21 4.7 (# 347:20)
&rst
ixpk= 347, nxpk= 20, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 757, 758, 759,
&end
#
# 52 VAL QG1 62 LEU QB 4.3 (#)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 757, 758, 759,
igr2= 918, 919,
&end
#
# 52 VAL QG1 62 LEU QD1 5.0 (# 1831:20)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 757, 758, 759,
igr2= 923, 924, 925,
&end
#
# 52 VAL QG1 62 LEU QD2 5.0 (# )
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 757, 758, 759,
igr2= 927, 928, 929,
&end
#
# 52 VAL QG1 53 GLU- HA 5.5 (# 1831:20)
&rst
ixpk= 1831, nxpk= 20, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 757, 758, 759,
&end
#
# 52 VAL QG2 53 GLU- HN 5.0 (# 385:20)
&rst
ixpk= 385, nxpk= 20, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 761, 762, 763,
&end
#
# 52 VAL QG2 53 GLU- HA 4.5 (# 1906:20)
&rst
ixpk= 1906, nxpk= 20, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 761, 762, 763,
&end
#
# 52 VAL QG2 62 LEU QB 4.5 (# 1910:20)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 761, 762, 763,
igr2= 918, 919,
&end
#
# 52 VAL QG2 62 LEU QD1 4.5 (# 1912:20)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 761, 762, 763,
igr2= 923, 924, 925,
&end
#
# 53 GLU- HN 56 PHE HN 4.7 (#)
&rst
ixpk= 1912, nxpk= 20, iat= 767, 811, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 53 GLU- HN 56 PHE QB 5.0 (#)
&rst
ixpk= 1912, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 815, 816,
&end
#
# 53 GLU- HN 124 ILE QD1 4.8 (# 460:10)
&rst
ixpk= 460, nxpk= 10, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1884,1885,1886,
&end
#
# 53 GLU- HA 52 VAL HB 5.5 (# 728:20)
&rst
ixpk= 728, nxpk= 20, iat= 769, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLU- HA 54 ALA HA 4.8 (#)
&rst
ixpk= 728, nxpk= 20, iat= 769, 784, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 53 GLU- QB 50 HIS QB 4.3 (#)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 771, 772,
igr2= 728, 729,
&end
#
# 53 GLU- QB 124 ILE HB 4.8 (#)
&rst
ixpk= 728, nxpk= 20, iat= -1,1875, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 771, 772,
&end
#
# 53 GLU- QG 56 PHE QB 5.0 (# 2868:20)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 774, 775,
igr2= 815, 816,
&end
#
# 53 GLU- QG 57 GLU- HN 4.9 (# 86:20)
&rst
ixpk= 86, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 774, 775,
&end
#
# 53 GLU- QG 54 ALA HN 4.9 (# 85,91:20)
&rst
ixpk= 85, nxpk= 20, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 774, 775,
&end
#
# 54 ALA HN 57 GLU- HN 4.9 (# 621:10)
&rst
ixpk= 621, nxpk= 10, iat= 782, 831, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 54 ALA HN 124 ILE QD1 4.2 (# 634:10)
&rst
ixpk= 634, nxpk= 10, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1884,1885,1886,
&end
#
# 54 ALA HN 127 TYR QB 5.5 (#)
&rst
ixpk= 634, nxpk= 10, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1926,
&end
#
# 54 ALA HA 53 GLU- QB 4.5 (# 2378:20)
&rst
ixpk= 2378, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 771, 772,
&end
#
# 54 ALA HA 57 GLU- QB 3.2 (# 2378,5044:20)
&rst
ixpk= 2378, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 835, 836,
&end
#
# 54 ALA HA 57 GLU- QG 5.0 (#)
&rst
ixpk= 2378, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 838, 839,
&end
#
# 54 ALA QB 55 LEU QD1 4.6 (# 2138)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 786, 787, 788,
igr2= 801, 802, 803,
&end
#
# 54 ALA QB 55 LEU QD2 4.6 (# 2138)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 786, 787, 788,
igr2= 805, 806, 807,
&end
#
# 54 ALA QB 55 LEU HA 4.6 (#)
&rst
ixpk= 2138, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 786, 787, 788,
&end
#
# 54 ALA QB 124 ILE QD1 4.8 (# 2138)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 786, 787, 788,
igr2=1884,1885,1886,
&end
#
# 55 LEU QB 56 PHE HN 4.0 (# 2881,2880:20)
&rst
ixpk= 2881, nxpk= 20, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 796, 797,
&end
#
# 55 LEU QB 59 HIS HN 5.0 (#)
&rst
ixpk= 2881, nxpk= 20, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 796, 797,
&end
#
# 55 LEU QB 60 ILE QG2 4.5 (#)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 796, 797,
igr2= 891, 892, 893,
&end
#
# 55 LEU QB 62 LEU QB 4.6 (#)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 796, 797,
igr2= 918, 919,
&end
#
# 55 LEU QB 62 LEU HG 4.9 (#)
&rst
ixpk= 2881, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 796, 797,
&end
#
# 55 LEU QD1 16 MET HA 4.8 (#)
&rst
ixpk= 2881, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 801, 802, 803,
&end
#
# 55 LEU QD1 16 MET QB 4.8 (#)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 801, 802, 803,
igr2= 231, 232,
&end
#
# 55 LEU QD1 16 MET HE1 4.2 (# 1682:20)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 801, 802, 803,
igr2= 238, 239, 240,
&end
#
# 55 LEU QD1 20 LEU HG 5.5 (#)
&rst
ixpk= 1682, nxpk= 20, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 801, 802, 803,
&end
#
# 55 LEU QD1 20 LEU QD 4.9 (#)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 801, 802, 803,
igr2= 288, 289, 290, 292, 293, 294,
&end
#
# 55 LEU QD1 58 LYS+ QB 5.0 (# 1679:20)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 801, 802, 803,
igr2= 850, 851,
&end
#
# 55 LEU QD1 60 ILE QG2 5.0 (#)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 801, 802, 803,
igr2= 891, 892, 893,
&end
#
# 55 LEU QD1 60 ILE QD1 5.0 (#)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 801, 802, 803,
igr2= 898, 899, 900,
&end
#
# 56 PHE HN 52 VAL QG2 5.0 (# 145:10)
&rst
ixpk= 145, nxpk= 10, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 761, 762, 763,
&end
#
# 56 PHE HN 53 GLU- HN 4.7 (#)
&rst
ixpk= 145, nxpk= 10, iat= 811, 767, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 56 PHE HN 57 GLU- QB 4.8 (# 142:10)
&rst
ixpk= 142, nxpk= 10, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 835, 836,
&end
#
# 56 PHE HN 61 ALA HA 5.0 (#)
&rst
ixpk= 142, nxpk= 10, iat= 811, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 PHE HA 55 LEU QB 4.5 (# 5033:20)
&rst
ixpk= 5033, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 796, 797,
&end
#
# 56 PHE HA 59 HIS HN 3.2 (# 2539:20)
&rst
ixpk= 2539, nxpk= 20, iat= 813, 868, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 56 PHE HA 59 HIS HA 3.9 (#)
&rst
ixpk= 2539, nxpk= 20, iat= 813, 870, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 56 PHE HA 60 ILE HB 4.8 (# 5032:20)
&rst
ixpk= 5032, nxpk= 20, iat= 813, 889, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 57 GLU- HN 56 PHE HA 3.6 (# 1046:10)
&rst
ixpk= 1046, nxpk= 10, iat= 831, 813, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 57 GLU- HA 56 PHE HA 5.0 (#)
&rst
ixpk= 1046, nxpk= 10, iat= 833, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 GLU- HA 56 PHE QB 5.0 (#)
&rst
ixpk= 1046, nxpk= 10, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 815, 816,
&end
#
# 57 GLU- QB 59 HIS HN 5.0 (# 159:20)
&rst
ixpk= 159, nxpk= 20, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 835, 836,
&end
#
# 58 LYS+ HN 55 LEU QB 5.0 (# 1555:10)
&rst
ixpk= 1555, nxpk= 10, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 796, 797,
&end
#
# 58 LYS+ HN 56 PHE HA 4.5 (#)
&rst
ixpk= 1555, nxpk= 10, iat= 846, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LYS+ HA 55 LEU HA 5.0 (#)
&rst
ixpk= 1555, nxpk= 10, iat= 848, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 LYS+ HA 57 GLU- HA 4.9 (#)
&rst
ixpk= 1555, nxpk= 10, iat= 848, 833, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 58 LYS+ HA 57 GLU- QB 4.9 (#)
&rst
ixpk= 1555, nxpk= 10, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 835, 836,
&end
#
# 58 LYS+ QB 20 LEU HA 6.0 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 850, 851,
&end
#
# 58 LYS+ QB 55 LEU HA 3.8 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 850, 851,
&end
#
# 58 LYS+ QG 20 LEU HA 6.5 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 853, 854,
&end
#
# 58 LYS+ QG 55 LEU HA 5.0 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 853, 854,
&end
#
# 58 LYS+ QG 20 LEU QD1 6.5 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 853, 854,
igr2= 288, 289, 290,
&end
#
# 58 LYS+ QG 20 LEU QD2 5.5 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 853, 854,
igr2= 292, 293, 294,
&end
#
# 58 LYS+ QG 20 LEU QB 7.0 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 853, 854,
igr2= 283, 284,
&end
#
# 58 LYS+ QG 135 GLU- QG 5.5 (#)
&rst
ixpk= 1555, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 853, 854,
igr2=2072,2073,
&end
#
# 58 LYS+ QE 131 ARG QG 4.0 (# 915,917:20)
&rst
ixpk= 915, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 859, 860,
igr2=2002,2003,
&end
#
# 59 HIS HN 57 GLU- QB 5.0 (#)
&rst
ixpk= 915, nxpk= 10, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 835, 836,
&end
#
# 59 HIS HN 60 ILE HB 4.7 (# 1664:10)
&rst
ixpk= 1664, nxpk= 10, iat= 868, 889, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 59 HIS HN 60 ILE QG1 5.0 (#)
&rst
ixpk= 1664, nxpk= 10, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 895, 896,
&end
#
# 59 HIS HN 60 ILE QD1 5.0 (#)
&rst
ixpk= 1664, nxpk= 10, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 898, 899, 900,
&end
#
# 59 HIS HN 61 ALA HN 4.5 (#)
&rst
ixpk= 1664, nxpk= 10, iat= 868, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 HIS HA 61 ALA HN 4.9 (#)
&rst
ixpk= 1664, nxpk= 10, iat= 870, 904, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 59 HIS HA 60 ILE HA 4.7 (# 2339:20)
&rst
ixpk= 2339, nxpk= 20, iat= 870, 887, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 60 ILE HN 55 LEU QB 3.7 (# 692:10)
&rst
ixpk= 692, nxpk= 10, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 796, 797,
&end
#
# 60 ILE HN 56 PHE HN 4.8 (# 686:10)
&rst
ixpk= 686, nxpk= 10, iat= 885, 811, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 ILE HN 56 PHE QE 6.0 (# 2325:10)
&rst
ixpk= 2325, nxpk= 10, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 821, 825,
&end
#
# 60 ILE HN 59 HIS HN 2.6 (#)
&rst
ixpk= 2325, nxpk= 10, iat= 885, 868, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 60 ILE HN 59 HIS HD2 5.0 (#)
&rst
ixpk= 2325, nxpk= 10, iat= 885, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ILE HN 61 ALA HA 5.0 (#)
&rst
ixpk= 2325, nxpk= 10, iat= 885, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ILE HA 55 LEU QB 5.0 (#)
&rst
ixpk= 2325, nxpk= 10, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 796, 797,
&end
#
# 60 ILE HA 61 ALA HA 5.5 (#)
&rst
ixpk= 2325, nxpk= 10, iat= 887, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE HB 19 ALA QB 4.5 (#)
&rst
ixpk= 2325, nxpk= 10, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 273, 274, 275,
&end
#
# 60 ILE HB 55 LEU HA 4.1 (# 5018:20)
&rst
ixpk= 5018, nxpk= 20, iat= 889, 794, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 60 ILE HB 55 LEU QB 3.0 (#)
&rst
ixpk= 5018, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 796, 797,
&end
#
# 60 ILE HB 55 LEU QD1 4.2
&rst
ixpk= 5018, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 801, 802, 803,
&end
#
# 60 ILE HB 59 HIS HN 4.8 (#)
&rst
ixpk= 5018, nxpk= 20, iat= 889, 868, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 ILE QG1 23 SER QB 4.3 (#)
&rst
ixpk= 5018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 895, 896,
igr2= 344, 345,
&end
#
# 60 ILE QG1 55 LEU QB 4.7 (#)
&rst
ixpk= 5018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 895, 896,
igr2= 796, 797,
&end
#
# 60 ILE QG2 22 LYS+ QB 4.7 (#)
&rst
ixpk= 5018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 891, 892, 893,
igr2= 322, 323,
&end
#
# 60 ILE QG2 55 LEU QB 4.7 (# 2064:20)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 891, 892, 893,
igr2= 796, 797,
&end
#
# 60 ILE QD1 19 ALA HA 4.8 (#)
&rst
ixpk= 2064, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 898, 899, 900,
&end
#
# 60 ILE QD1 19 ALA QB 4.7 (#)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 898, 899, 900,
igr2= 273, 274, 275,
&end
#
# 60 ILE QD1 20 LEU HA 5.0 (# 2246:20)
&rst
ixpk= 2246, nxpk= 20, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 898, 899, 900,
&end
#
# 60 ILE QD1 22 LYS+ QB 5.0 (#)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 898, 899, 900,
igr2= 322, 323,
&end
#
# 60 ILE QD1 23 SER HN 4.8 (# 2933:20)
&rst
ixpk= 2933, nxpk= 20, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 898, 899, 900,
&end
#
# 60 ILE QD1 23 SER QB 4.8 (#)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 898, 899, 900,
igr2= 344, 345,
&end
#
# 61 ALA HN 55 LEU QB 4.1 (#)
&rst
ixpk= 2933, nxpk= 20, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 796, 797,
&end
#
# 61 ALA HA 62 LEU QB 4.8 (# 5011:20)
&rst
ixpk= 5011, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 918, 919,
&end
#
# 61 ALA HA 56 PHE QE 5.5 (# 5012:20)
&rst
ixpk= 5012, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 821, 825,
&end
#
# 61 ALA HA 52 VAL QG2 4.8 (#)
&rst
ixpk= 5012, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 761, 762, 763,
&end
#
# 62 LEU HN 55 LEU QB 4.3 (# 110:10)
&rst
ixpk= 110, nxpk= 10, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 796, 797,
&end
#
# 62 LEU HN 56 PHE HN 4.7 (#)
&rst
ixpk= 110, nxpk= 10, iat= 914, 811, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 62 LEU HN 56 PHE HA 4.9 (# 104:10)
&rst
ixpk= 104, nxpk= 10, iat= 914, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 62 LEU HN 63 ASN HN 4.6 (#)
&rst
ixpk= 104, nxpk= 10, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 62 LEU HA 63 ASN HD22 5.2 (#)
&rst
ixpk= 104, nxpk= 10, iat= 916, 943, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 62 LEU HA 60 ILE QG2 4.9 (#)
&rst
ixpk= 104, nxpk= 10, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 891, 892, 893,
&end
#
# 62 LEU QB 55 LEU QB 5.0 (# 4.38:20)
&rst
ixpk= 4, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 918, 919,
igr2= 796, 797,
&end
#
# 62 LEU QB 55 LEU HN 5.0 (# 4470:20)
&rst
ixpk= 4470, nxpk= 20, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 918, 919,
&end
#
# 62 LEU QB 52 VAL QG1 5.0 (# 4472,2343,2201:20)
&rst
ixpk= 4472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 918, 919,
igr2= 757, 758, 759,
&end
#
# 62 LEU HG 55 LEU QD1 5.5 (# 1555:20)
&rst
ixpk= 1555, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 801, 802, 803,
&end
#
# 62 LEU QD1 16 MET QB 4.5 (# 1603:20)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 923, 924, 925,
igr2= 231, 232,
&end
#
# 62 LEU QD1 16 MET HA 4.2 (# 2957:20)
&rst
ixpk= 2957, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 923, 924, 925,
&end
#
# 62 LEU QD1 51 ALA HA 4.6 (# 2956:20)
&rst
ixpk= 2956, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 923, 924, 925,
&end
#
# 62 LEU QD1 55 LEU QB 4.3 (# 1603:20)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 923, 924, 925,
igr2= 796, 797,
&end
#
# 62 LEU QD2 52 VAL HA 5.0 (#)
&rst
ixpk= 1603, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 927, 928, 929,
&end
#
# 63 ASN HA 47 ALA QB 4.7 (# 4069:20)
&rst
ixpk= 4069, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 690, 691, 692,
&end
#
# 63 ASN HA 52 VAL QG2 5.5 (#)
&rst
ixpk= 4069, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 761, 762, 763,
&end
#
# 63 ASN HA 64 HIS HA 4.9 (#)
&rst
ixpk= 4069, nxpk= 20, iat= 935, 949, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 64 HIS QB 11 THR HA 5.5 (#)
&rst
ixpk= 4069, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 951, 952,
&end
#
# 64 HIS QB 11 THR QG2 4.7 (#)
&rst
ixpk= 4069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 951, 952,
igr2= 159, 160, 161,
&end
#
# 64 HIS QB 46 LYS+ HA 5.0 (#)
&rst
ixpk= 4069, nxpk= 20, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 951, 952,
&end
#
# 64 HIS QB 47 ALA HA 4.2 (#)
&rst
ixpk= 4069, nxpk= 20, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 951, 952,
&end
#
# 65 VAL HA 45 GLY HN 4.8 (# 2823:20)
&rst
ixpk= 2823, nxpk= 20, iat= 966, 657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 65 VAL HA 46 LYS+ HN 4.8 (# 2824:20)
&rst
ixpk= 2824, nxpk= 20, iat= 966, 664, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 65 VAL HA 47 ALA HN 4.0 (# 2823:20)
&rst
ixpk= 2823, nxpk= 20, iat= 966, 686, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 VAL HA 46 LYS+ QB 2.5 (# 3137,716:20)
&rst
ixpk= 3137, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 668, 669,
&end
#
# 65 VAL HA 66 SER QB 4.8 (# 2817:20)
&rst
ixpk= 2817, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 984, 985,
&end
#
# 65 VAL HB 64 HIS HA 5.0 (#)
&rst
ixpk= 2817, nxpk= 20, iat= 968, 949, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 VAL HB 46 LYS+ QB 4.6 (#)
&rst
ixpk= 2817, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 668, 669,
&end
#
# 65 VAL QG1 45 GLY HN 5.0 (# 3619:20)
&rst
ixpk= 3619, nxpk= 20, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 970, 971, 972,
&end
#
# 65 VAL QG1 46 LYS+ QD 4.8 (#)
&rst
ixpk= 3619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 970, 971, 972,
igr2= 674, 675,
&end
#
# 65 VAL QG1 66 SER HA 5.0 (#)
&rst
ixpk= 3619, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 970, 971, 972,
&end
#
# 65 VAL QG1 66 SER QB 4.5 (#)
&rst
ixpk= 3619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 970, 971, 972,
igr2= 984, 985,
&end
#
# 65 VAL QG2 47 ALA QB 6.5 (# 1905:20)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 974, 975, 976,
igr2= 690, 691, 692,
&end
#
# 65 VAL QG2 46 LYS+ QB 4.8 (# 1901:20)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 974, 975, 976,
igr2= 668, 669,
&end
#
# 65 VAL QG2 46 LYS+ QD 5.0 (# 2856:20)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 974, 975, 976,
igr2= 674, 675,
&end
#
# 65 VAL QG2 63 ASN QB 5.5 (# 2858:20)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 974, 975, 976,
igr2= 937, 938,
&end
#
# 66 SER HN 64 HIS HD2 5.0 (# 2326:10)
&rst
ixpk= 2326, nxpk= 10, iat= 980, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 SER HN 46 LYS+ QB 4.5 (# 580:10)
&rst
ixpk= 580, nxpk= 10, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 668, 669,
&end
#
# 66 SER HN 47 ALA HN 4.8 (# 572:10)
&rst
ixpk= 572, nxpk= 10, iat= 980, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 66 SER HA 10 ASN QB 4.8 (#4102:20)
&rst
ixpk= 572, nxpk= 10, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 143, 144,
&end
#
# 66 SER HA 10 ASN QB 4.9 (#)
&rst
ixpk= 572, nxpk= 10, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 143, 144,
&end
#
# 66 SER HA 11 THR QG2 4.9 (# 4103:20)
&rst
ixpk= 4103, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 159, 160, 161,
&end
#
# 66 SER HA 41 ALA QB 4.8 (# 4103)
&rst
ixpk= 4103, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 612, 613, 614,
&end
#
# 66 SER QB 10 ASN QB 4.7 (# 4180,4181:20)
&rst
ixpk= 4180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 984, 985,
igr2= 143, 144,
&end
#
# 66 SER QB 11 THR QG2 4.6 (# 669:20)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 984, 985,
igr2= 159, 160, 161,
&end
#
# 66 SER QB 41 ALA QB 4.7 (# 669:20)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 984, 985,
igr2= 612, 613, 614,
&end
#
# 66 SER QB 11 THR HA 6.0 (# 4183,4230:20)
&rst
ixpk= 4183, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 984, 985,
&end
#
# 67 SER HN 38 GLY HN 4.9 (# 2046:10)
&rst
ixpk= 2046, nxpk= 10, iat= 991, 565, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 67 SER HN 37 ALA HA 4.9 (# 1407:10)
&rst
ixpk= 1407, nxpk= 10, iat= 991, 557, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 67 SER HN 41 ALA QB 4.8 (# 1408:10)
&rst
ixpk= 1408, nxpk= 10, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 612, 613, 614,
&end
#
# 67 SER HA 68 PRO QD 3.0 (# 4996:20)
&rst
ixpk= 4996, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1003,1004,
&end
#
# 67 SER HA 41 ALA QB 4.1 (# 4998:20)
&rst
ixpk= 4998, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 612, 613, 614,
&end
#
# 67 SER HA 43 PRO QG 2.8 (# 4997:20)
&rst
ixpk= 4997, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 633, 634,
&end
#
# 67 SER HA 66 SER HA 4.6 (# 4993:20)
&rst
ixpk= 4993, nxpk= 20, iat= 993, 982, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 67 SER QB 37 ALA QB 4.9 (# 4245,4246:20)
&rst
ixpk= 4245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 995, 996,
igr2= 559, 560, 561,
&end
#
# 67 SER QB 41 ALA QB 5.5 (# 4245,4246:20)
&rst
ixpk= 4245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 995, 996,
igr2= 612, 613, 614,
&end
#
# 67 SER QB 43 PRO QG 4.8 (# 4247,4248:20)
&rst
ixpk= 4247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 995, 996,
igr2= 633, 634,
&end
#
# 67 SER QB 73 LEU QD2 5.5 (# 4243,4244:20)
&rst
ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 995, 996,
igr2=1092,1093,1094,
&end
#
# 67 SER QB 37 ALA HA 4.9 (# 4254,4255:20)
&rst
ixpk= 4254, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 995, 996,
&end
#
# 67 SER QB 38 GLY HN 7.0 (# 4258,4259:20)
&rst
ixpk= 4258, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 995, 996,
&end
#
# 68 PRO QB 41 ALA HN 4.2 (#)
&rst
ixpk= 4258, nxpk= 20, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1009,1010,
&end
#
# 68 PRO QB 67 SER HA 5.2 (#)
&rst
ixpk= 4258, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1009,1010,
&end
#
# 68 PRO QB 69 LEU HA 5.0 (#)
&rst
ixpk= 4258, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1009,1010,
&end
#
# 68 PRO QB 41 ALA QB 3.8 (# 1206,4980:20)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1009,1010,
igr2= 612, 613, 614,
&end
#
# 68 PRO QB 39 VAL HA 6.0 (#)
&rst
ixpk= 1206, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1009,1010,
&end
#
# 68 PRO QG 41 ALA QB 4.8 (# 1551:20)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1006,1007,
igr2= 612, 613, 614,
&end
#
# 68 PRO QG 70 THR QG2 5.5 (# 1554:20)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1006,1007,
igr2=1041,1042,1043,
&end
#
# 68 PRO QG 67 SER HA 5.0 (# 230:20)
&rst
ixpk= 230, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1006,1007,
&end
#
# 69 LEU HN 37 ALA QB 4.0 (# 422:10)
&rst
ixpk= 422, nxpk= 10, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 559, 560, 561,
&end
#
# 69 LEU HN 38 GLY HA2 5.0 (#)
&rst
ixpk= 422, nxpk= 10, iat=1016, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 LEU HN 39 VAL HA 4.1 (# 2327:10)
&rst
ixpk= 2327, nxpk= 10, iat=1016, 574, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 LEU HN 41 ALA HN 4.5 (# 2328:10)
&rst
ixpk= 2328, nxpk= 10, iat=1016, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 LEU HA 70 THR HA 4.4 (#)
&rst
ixpk= 2328, nxpk= 10, iat=1018,1037, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 69 LEU HA 70 THR MG 5.5 (#)
&rst
ixpk= 2328, nxpk= 10, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 69 LEU HA 73 LEU QB 5.5 (#)
&rst
ixpk= 2328, nxpk= 10, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 69 LEU HA 73 LEU QD2 4.8 (# 827:20)
&rst
ixpk= 827, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1092,1093,1094,
&end
#
# 69 LEU HA 6 VAL QG2 6.7 (#)
&rst
ixpk= 827, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2= 101, 102, 103,
&end
#
# 69 LEU QB 6 VAL QG2 6.0 (# 3131,3132:20)
&rst
ixpk= 3131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1020,1021,
igr2= 101, 102, 103,
&end
#
# 69 LEU QB 37 ALA QB 3.3 (# 994,4493:20)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1020,1021,
igr2= 559, 560, 561,
&end
#
# 69 LEU QB 39 VAL QG1 6.0 (# 3131,3132:20)
&rst
ixpk= 3131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1020,1021,
igr2= 578, 579, 580,
&end
#
# 69 LEU QB 70 THR HN 4.0 (# 1578,1572:10)
&rst
ixpk= 1578, nxpk= 20, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1020,1021,
&end
#
# 69 LEU HG 6 VAL QG2 5.5 (#)
&rst
ixpk= 1578, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 101, 102, 103,
&end
#
# 69 LEU HG 80 VAL QG1 5.2 (#)
&rst
ixpk= 1578, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1188,1189,1190,
&end
#
# 69 LEU HG 80 VAL QG2 6.3 (#)
&rst
ixpk= 1578, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2=1192,1193,1194,
&end
#
# 69 LEU HG 91 ILE QG2 6.5 (# 1577:20)
&rst
ixpk= 1577, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1373,1374,1375,
&end
#
# 69 LEU HG 91 ILE QD1 5.5 (#)
&rst
ixpk= 1577, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1380,1381,1382,
&end
#
# 69 LEU QD1 37 ALA QB 3.5 (# 1812:20)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1025,1026,1027,
igr2= 559, 560, 561,
&end
#
# 69 LEU QD1 73 LEU QB 4.1 (# 1812,1822:20)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1025,1026,1027,
igr2=1083,1084,
&end
#
# 69 LEU QD1 74 MET HN 4.6 (# 329:20)
&rst
ixpk= 329, nxpk= 20, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1025,1026,1027,
&end
#
# 70 THR HN 72 GLU- QG 5.5 (#)
&rst
ixpk= 329, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1071,1072,
&end
#
# 70 THR HN 71 GLU- HN 4.4 (#2329:10)
&rst
ixpk= 329, nxpk= 20, iat=1035,1049, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 70 THR HN 68 PRO QG 7.0 (#1570:10)
&rst
ixpk= 329, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1006,1007,
&end
#
# 70 THR HB 72 GLU- QG 3.3 (#4971:20)
&rst
ixpk= 329, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1071,1072,
&end
#
# 70 THR HB 73 LEU HN 4.3 (# 380:20)
&rst
ixpk= 380, nxpk= 20, iat=1039,1079, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 70 THR HB 68 PRO QB 6.5 (# 1889:20)
&rst
ixpk= 1889, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1009,1010,
&end
#
# 70 THR HB 71 GLU- HA 4.8 (# 3741:20)
&rst
ixpk= 3741, nxpk= 20, iat=1039,1051, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 70 THR HB 69 LEU QD1 7.0 (# 3740:20)
&rst
ixpk= 3740, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1025,1026,1027,
&end
#
# 71 GLU- HN 72 GLU- HA 5.5 (#)
&rst
ixpk= 3740, nxpk= 20, iat=1049,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU- HN 72 GLU- QB 5.5 (# 389:10,2330:10)
&rst
ixpk= 389, nxpk= 10, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1068,1069,
&end
#
# 71 GLU- HN 72 GLU- QG 4.0 (# 385:20)
&rst
ixpk= 385, nxpk= 20, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1071,1072,
&end
#
# 71 GLU- HA 73 LEU QB 5.5 (# 4963:20)
&rst
ixpk= 4963, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 71 GLU- HA 74 MET QB 2.5 (#)
&rst
ixpk= 4963, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1102,1103,
&end
#
# 71 GLU- HA 74 MET HA 5.0 (# 4084:20)
&rst
ixpk= 4084, nxpk= 20, iat=1051,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 GLU- HA 94 GLN HE21 5.6 (#)
&rst
ixpk= 4084, nxpk= 20, iat=1051,1419, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 71 GLU- QB 73 LEU HN 5.1 (#)
&rst
ixpk= 4084, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1053,1054,
&end
#
# 71 GLU- QB 70 THR QG2 4.8 (# 3159:20)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1053,1054,
igr2=1041,1042,1043,
&end
#
# 71 GLU- QB 72 GLU- QG 4.6 (# 1341:20)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1053,1054,
igr2=1071,1072,
&end
#
# 71 GLU- QB 72 GLU- HA 4.3 (#)
&rst
ixpk= 1341, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1053,1054,
&end
#
# 72 GLU- HN 73 LEU HA 5.3 (# 1272:10)
&rst
ixpk= 1272, nxpk= 10, iat=1064,1081, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 72 GLU- HN 73 LEU QB 5.5 (# 1280:10)
&rst
ixpk= 1280, nxpk= 10, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 72 GLU- HN 74 MET QG 5.9 (# 1282:10)
&rst
ixpk= 1282, nxpk= 10, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1105,1106,
&end
#
# 72 GLU- HA 74 MET QG 5.5 (# 4957:20)
&rst
ixpk= 4957, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1105,1106,
&end
#
# 72 GLU- QB 73 LEU HA 5.0 (#)
&rst
ixpk= 4957, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1068,1069,
&end
#
# 72 GLU- QB 70 THR HB 5.2 (# 4958:20)
&rst
ixpk= 4958, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1068,1069,
&end
#
# 72 GLU- QG 70 THR QG2 5.5 (#)
&rst
ixpk= 4958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1071,1072,
igr2=1041,1042,1043,
&end
#
# 73 LEU HN 69 LEU HA 5.5 (# 727:10)
&rst
ixpk= 727, nxpk= 10, iat=1079,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU HN 73 LEU QB 2.9 (# 732:10)
&rst
ixpk= 732, nxpk= 10, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1083,1084,
&end
#
# 73 LEU HN 69 LEU QD1 4.7 (# 737:10)
&rst
ixpk= 737, nxpk= 10, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1025,1026,1027,
&end
#
# 73 LEU HA 72 GLU- HA 5.0 (#)
&rst
ixpk= 737, nxpk= 10, iat=1081,1066, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 LEU QB 4 ILE QD1 3.6 (# 1001,1008:20)
&rst
ixpk= 1001, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1083,1084,
igr2= 65, 66, 67,
&end
#
# 73 LEU QB 4 ILE QG2 4.7 1001,1008:20
&rst
ixpk= 1001, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1083,1084,
igr2= 58, 59, 60,
&end
#
# 73 LEU QB 74 MET HN 3.3 (# 16,17:20)
&rst
ixpk= 16, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1083,1084,
&end
#
# 73 LEU HG 4 ILE QG2 4.5 (#)
&rst
ixpk= 16, nxpk= 10, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 58, 59, 60,
&end
#
# 73 LEU HG 4 ILE QD1 3.8 (# 1476:20)
&rst
ixpk= 1476, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 65, 66, 67,
&end
#
# 73 LEU HG 35 ARG+ QD 4.7 (#)
&rst
ixpk= 1476, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 530, 531,
&end
#
# 73 LEU HG 37 ALA QB 5.5 (#)
&rst
ixpk= 1476, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 559, 560, 561,
&end
#
# 73 LEU HG 69 LEU QD1 4.7 (#)
&rst
ixpk= 1476, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1025,1026,1027,
&end
#
# 73 LEU QD1 76 SER QB 5.1 (# 1783:20)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1088,1089,1090,
igr2=1134,1135,
&end
#
# 73 LEU QD2 67 SER QB 5.5 (#)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,1094,
igr2= 995, 996,
&end
#
# 73 LEU QD2 37 ALA QB 4.5 (# 1611:20)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1092,1093,1094,
igr2= 559, 560, 561,
&end
#
# 74 MET HA 73 LEU QB 4.2 (# 4937:20)
&rst
ixpk= 4937, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1083,1084,
&end
#
# 74 MET QB 73 LEU QB 5.0 (#)
&rst
ixpk= 4937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1102,1103,
igr2=1083,1084,
&end
#
# 74 MET HN 4 ILE QD1 4.6 (#)
&rst
ixpk= 4937, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 65, 66, 67,
&end
#
# 74 MET HN 71 GLU- QG 5.1 (#)
&rst
ixpk= 4937, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1056,1057,
&end
#
# 74 MET HN 71 GLU- HN 4.8 (#)
&rst
ixpk= 4937, nxpk= 20, iat=1098,1049, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 74 MET HN 95 PHE HD1 6.5 (#)
&rst
ixpk= 4937, nxpk= 20, iat=1098,1432, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 74 MET HN 95 PHE QE 4.5 (#)
&rst
ixpk= 4937, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1434,1438,
&end
#
# 74 MET QB 71 GLU- HA 2.3 (# 3789:20)
&rst
ixpk= 3789, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,
igr1=1102,1103,
&end
#
# 74 MET QB 73 LEU HN 4.3 (# 3791:20)
&rst
ixpk= 3791, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1102,1103,
&end
#
# 74 MET QB 94 GLN HE21 5.5 (#)
&rst
ixpk= 3791, nxpk= 20, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1102,1103,
&end
#
# 74 MET QB 95 PHE QB 5.0 (#)
&rst
ixpk= 3791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1102,1103,
igr2=1428,1429,
&end
#
# 74 MET QB 95 PHE HD1 4.5 (#)
&rst
ixpk= 3791, nxpk= 20, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1102,1103,
&end
#
# 74 MET QB 95 PHE QE 4.0 (#)
&rst
ixpk= 3791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1102,1103,
igr2=1434,1438,
&end
#
# 74 MET QG 71 GLU- QG 4.2 (# 3498:20)
&rst
ixpk= 3498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1105,1106,
igr2=1056,1057,
&end
#
# 74 MET QG 75 GLU- HA 4.2 (# 3496:20)
&rst
ixpk= 3496, nxpk= 20, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1105,1106,
&end
#
# 74 MET QG 80 VAL QG2 5.1 (# 1283:20)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1105,1106,
igr2=1192,1193,1194,
&end
#
# 74 MET QG 94 GLN HE21 6.5 (#)
&rst
ixpk= 1283, nxpk= 20, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1105,1106,
&end
#
# 74 MET QG 98 TYR QB 4.5 (# 3498,3496:20)
&rst
ixpk= 3498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1105,1106,
igr2=1479,1480,
&end
#
# 74 MET QG 101 LYS+ QE 5.5 (# 3497:20)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1105,1106,
igr2=1545,1546,
&end
#
# 74 MET HE1 71 GLU- HA 5.0 (# 2189:20)
&rst
ixpk= 2189, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1109,1110,1111,
&end
#
# 74 MET HE1 94 GLN HE21 6.5 (# 510:20)
&rst
ixpk= 510, nxpk= 20, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1109,1110,1111,
&end
#
# 75 GLU- HN 72 GLU- HN 4.8 (#)
&rst
ixpk= 510, nxpk= 20, iat=1115,1064, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 76 SER HN 75 GLU- QG 5.5 (# 1821:20)
&rst
ixpk= 1821, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 76 SER HN 73 LEU QB 5.5 (# 1822:10)
&rst
ixpk= 1822, nxpk= 10, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 76 SER HN 73 LEU HG 5.5 (# 1822:10)
&rst
ixpk= 1822, nxpk= 10, iat=1130,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HN 77 ALA HA 5.5 (# 1823:10)
&rst
ixpk= 1823, nxpk= 10, iat=1130,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HN 72 GLU- HA 4.4 (# 1826:10)
&rst
ixpk= 1826, nxpk= 10, iat=1130,1066, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 76 SER HN 74 MET QB 5.2 (# 1830:10)
&rst
ixpk= 1830, nxpk= 10, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1102,1103,
&end
#
# 76 SER HN 77 ALA QB 5.5 (# 1831:10)
&rst
ixpk= 1831, nxpk= 10, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 76 SER HN 4 ILE QD1 5.5 (#)
&rst
ixpk= 1831, nxpk= 10, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 65, 66, 67,
&end
#
# 76 SER HA 75 GLU- QB 4.9 (#)
&rst
ixpk= 1831, nxpk= 10, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1119,1120,
&end
#
# 77 ALA HN 2 ASP- QB 5.5 (# 2058,472:10)
&rst
ixpk= 2058, nxpk= 10, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 77 ALA HN 4 ILE QG1 4.9 (#)
&rst
ixpk= 2058, nxpk= 10, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 62, 63,
&end
#
# 77 ALA HA 4 ILE QG1 5.3 (#)
&rst
ixpk= 2058, nxpk= 10, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 62, 63,
&end
#
# 77 ALA QB 3 ILE HN 4.6 (#)
&rst
ixpk= 2058, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1145,1146,1147,
&end
#
# 120 PHE HD1 11 THR MG2 5.5 (#)
&rst
ixpk= 2058, nxpk= 10, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 159, 160, 161,
&end
#
# 42 SER HN 42 SER HA 2.9 (#)
&rst
ixpk= 2058, nxpk= 10, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 42 SER HN 66 SER HB+ 4.5 (#)
&rst
ixpk= 2058, nxpk= 10, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 984, 985,
&end
#
# 42 SER HN 67 SER HN 5.5 (#)
&rst
ixpk= 2058, nxpk= 10, iat= 618, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HA 43 PRO HD+ 3.5 (#4994:20)
&rst
ixpk= 2058, nxpk= 10, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 630, 631,
&end
#
# 48 THR MG 121 GLY HN 4.8 (#)
&rst
ixpk= 2058, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 702, 703, 704,
&end
#
# 48 THR MG 121 GLY HA+ 5.5 (#)
&rst
ixpk= 2058, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 702, 703, 704,
igr2=1848,1849,
&end
#
# 46 LYS HN 45 GLY HA+ 2.8 (# 702:10)
&rst
ixpk= 702, nxpk= 10, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 659, 660,
&end
#
# 46 LYS HN 45 GLY HA- 2.8 (# 703:10)
&rst
ixpk= 703, nxpk= 10, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 659, 660,
&end
#
# 46 LYS HN 45 GLY HN 4.8 (#)
&rst
ixpk= 703, nxpk= 10, iat= 664, 657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 PRO HB+ 47 ALA HN 5.5 (#)
&rst
ixpk= 703, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 221,
&end
#
# 113 HIS HB+ 107 LEU HB+ 5.5 (#)
&rst
ixpk= 703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1733,1734,
igr2=1649,1650,
&end
#
# 115 ASP HN 116 VAL HN 4.8 (#)
&rst
ixpk= 703, nxpk= 10, iat=1753,1765, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 113 HIS HA 113 HIS HE1 5.5 (# 2318:20)
&rst
ixpk= 2318, nxpk= 20, iat=1731,1739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 HIS HA 114 GLY HA+ 4.7 (# 2320:20)
&rst
ixpk= 2320, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1748,1749,
&end
#
# 113 HIS HN 114 GLY HA+ 5.5 (#)
&rst
ixpk= 2320, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1748,1749,
&end
#
# 114 GLY HA+ 106 LYS HB+ 5.5 (# 2326:20)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1748,1749,
igr2=1627,1628,
&end
#
# 114 GLY HA+ 106 LYS HD- 5.5 (# 2325:20)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1748,1749,
igr2=1633,1634,
&end
#
# 114 GLY HA+ 106 LYS HG+ 5.5 (# 2327:20)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1748,1749,
igr2=1630,1631,
&end
#
# 114 GLY HA+ 110 THR MG2 5.5 (# 2327:20)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1748,1749,
igr2=1703,1704,1705,
&end
#
# 114 GLY HA+ 115 ASP HN 2.6 (# 641:20 445:10)
&rst
ixpk= 641, nxpk= 20, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1=1748,1749,
&end
#
# 115 ASP HN 106 LYS HG+ 5.5 (# 444:10)
&rst
ixpk= 444, nxpk= 10, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1630,1631,
&end
#
# 112 SER HN 111 GLY HA- 3.5 (# 1449:10)
&rst
ixpk= 1449, nxpk= 10, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1713,1714,
&end
#
# 111 GLY HA- 110 THR HN 4.6 (# 4435:20)
&rst
ixpk= 4435, nxpk= 20, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1713,1714,
&end
#
# 8 THR HA 9 GLY HA+ 4.5 (# 4269:20)
&rst
ixpk= 4269, nxpk= 20, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 134, 135,
&end
#
# 9 GLY HA+ 9 GLY HN 2.2 (# 538:20)
&rst
ixpk= 538, nxpk= 20, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 134, 135,
&end
#
# 10 ASN HA 7 CYS HN 4.4 (# 2113:10)
&rst
ixpk= 2113, nxpk= 10, iat= 141, 107, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 116 VAL HN 83 MET HB+ 5.0 (#)
&rst
ixpk= 2113, nxpk= 10, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1231,1232,
&end
#
# 116 VAL HN 83 MET HG+ 5.5 (#)
&rst
ixpk= 2113, nxpk= 10, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1234,1235,
&end
#
# 103 PHE QD 103 PHE HB- 5.50 (# 1:20 Unique 2.40, 3.08 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1578,1586,
igr2=1574,1575,
&end
#
# 30 LEU HN 30 LEU HB+ 5.50 (# 2:20 Unique 2.14, 2.74 A)
&rst
ixpk= 2, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 30 LEU HN 30 LEU HB- 5.50 (# 3:20 Unique 2.14, 2.74 A)
&rst
ixpk= 3, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 99 ARG HN 99 ARG HD+ 5.50 (# 5:20 Unique 4.20, 5.06 A)
&rst
ixpk= 5, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1506,1507,
&end
#
# 27 ARG HN 27 ARG HD+ 7.00 (# 6:20 Unique 2.73, 4.41 A)
&rst
ixpk= 6, nxpk= 20, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 405, 406,
&end
#
# 2 ASP HN 2 ASP HB+ 4.50 (# 8:20 Unique 2.64, 3.11 A)
&rst
ixpk= 8, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 78 ASP HN 2 ASP HB+ 4.50 (# 9:20 Unique 2.39, 3.42 A)
&rst
ixpk= 9, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 2 ASP HA 2 ASP HB+ 4.50 (# 10:20 Unique 2.39, 2.73 A)
&rst
ixpk= 10, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 2 ASP HN 2 ASP HB- 5.50 (# 11:20 Unique 2.64, 3.11 A)
&rst
ixpk= 11, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:12 0 AMB 20-1:12 5.50 (# 12:20 Double Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1753, 33,
igr2=1757,1758, 25, 26,1636,1637,
&end
#
# 98 TYR QD 101 LYS HE- 5.50 (# 13:20 Unique 4.68, 6.67 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1483,1492,
igr2=1545,1546,
&end
#
# 117 LEU HN 117 LEU HB+ 4.50 (# 14:20 Unique 2.20, 2.67 A)
&rst
ixpk= 14, nxpk= 20, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1785,1786,
&end
#
# 117 LEU HN 117 LEU HB- 5.50 (# 15:20 Unique 2.20, 2.67 A)
&rst
ixpk= 15, nxpk= 20, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 0 AMB 20-2:16 0 AMB 20-1:16 4.50 (# 16:20 Double Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1079,1098,
igr2=1083,1084,1083,1084,
&end
#
# 0 AMB 20-2:17 73 LEU HB- 5.50 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1079,1098,
igr2=1083,1084,
&end
#
# 118 ASP HN 118 ASP HB+ 5.50 (# 18:20 Unique 2.33, 2.68 A)
&rst
ixpk= 18, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1804,1805,
&end
#
# 145 LEU HN 145 LEU HB+ 5.50 (# 19:20 Unique 2.39, 3.09 A)
&rst
ixpk= 19, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 145 LEU HN 145 LEU HB- 5.50 (# 20:20 Unique 2.39, 3.09 A)
&rst
ixpk= 20, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 3 ILE HN 3 ILE HB 4.50 (# 22:20 Unique 2.63, 2.69 A)
&rst
ixpk= 22, nxpk= 20, iat= 33, 37, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:23 0 AMB 20-1:23 5.50 (# 23:20 Double Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2317,2305,
igr2=2309,2310,2309,2310,
&end
#
# 0 AMB 20-2:24 148 ASP HB- 5.50 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2317,2305,
igr2=2309,2310,
&end
#
# 4 ILE HN 4 ILE HB 5.50 (# 25:20 Unique 2.59, 2.68 A)
&rst
ixpk= 25, nxpk= 20, iat= 52, 56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASP HN 125 ASP HB+ 5.50 (# 26:20 Unique 2.43, 2.54 A)
&rst
ixpk= 26, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1894,1895,
&end
#
# 126 ILE HN 125 ASP HB+ 5.50 (# 27:20 Unique 2.71, 3.48 A)
&rst
ixpk= 27, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1894,1895,
&end
#
# 125 ASP HN 125 ASP HB- 4.50 (# 28:20 Unique 2.43, 2.54 A)
&rst
ixpk= 28, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1894,1895,
&end
#
# 126 ILE HN 125 ASP HB- 5.50 (# 29:20 Unique 2.71, 3.48 A)
&rst
ixpk= 29, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1894,1895,
&end
#
# 60 ILE HN 60 ILE HB 5.50 (# 30:20 Unique 2.48, 2.60 A)
&rst
ixpk= 30, nxpk= 20, iat= 885, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HD1 108 TYR HB- 5.50 (# 31:20 Unique 2.35, 2.97 A)
&rst
ixpk= 31, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 100 ASP HN 100 ASP HB+ 3.50 (# 32:20 Unique 2.39, 2.48 A)
&rst
ixpk= 32, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1524,1525,
&end
#
# 100 ASP HN 100 ASP HB- 4.50 (# 33:20 Unique 2.39, 2.48 A)
&rst
ixpk= 33, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1524,1525,
&end
#
# 0 AMB 20-2:34 0 AMB 20-1:34 3.50 (# 34:20 Double Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 504, 33,1570,
igr2= 494, 495, 494, 495,1664,1665,
&end
#
# 33 ASN HN 33 ASN HB+ 3.50 (# 35:20 Unique 2.75, 3.03 A)
&rst
ixpk= 35, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 494, 495,
&end
#
# 33 ASN HD2+ 33 ASN HB+ 4.50 (# 36:20 Unique 2.22, 3.31 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 499, 500,
igr2= 494, 495,
&end
#
# 33 ASN HD2- 33 ASN HB+ 5.50 (# 37:20 Unique 2.22, 3.31 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 499, 500,
igr2= 494, 495,
&end
#
# 2 ASP HA 33 ASN HB+ 4.50 (# 38:20 Unique 2.49, 3.41 A)
&rst
ixpk= 38, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 494, 495,
&end
#
# 33 ASN HA 33 ASN HB+ 3.00 (# 39:20 Unique 2.50, 2.80 A)
&rst
ixpk= 39, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 494, 495,
&end
#
# 24 ILE HN 24 ILE HB 5.50 (# 40:20 Unique 2.32, 2.38 A)
&rst
ixpk= 40, nxpk= 20, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HN 24 ILE HB 5.50 (# 41:20 Unique 2.84, 2.93 A)
&rst
ixpk= 41, nxpk= 20, iat= 370, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 ASP HN 132 ASP HB+ 4.50 (# 42:20 Unique 2.42, 2.53 A)
&rst
ixpk= 42, nxpk= 20, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2023,2024,
&end
#
# 98 TYR QD 98 TYR HB+ 5.50 (# 43:20 Unique 2.49, 3.11 A)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1483,1492,
igr2=1479,1480,
&end
#
# 0 AMB 20-2:46 0 AMB 20-1:46 4.50 (# 46:20 Double Ambig)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1834,1842, 314,
igr2=1830,1831, 302, 303,
&end
#
# 21 PHE HN 21 PHE HB+ 5.50 (# 47:20 Unique 2.49, 2.67 A)
&rst
ixpk= 47, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 302, 303,
&end
#
# 98 TYR QD 0 AMB 20-1:48 3.50 (# 48:20 Single Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1483,1492,
igr2=1479,1480,1428,1429,
&end
#
# 21 PHE HD2 21 PHE HB- 5.50 (# 49:20 Unique 2.48, 3.10 A)
&rst
ixpk= 49, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 302, 303,
&end
#
# 94 GLN HN 95 PHE HB- 4.50 (# 50:20 Unique 4.65, 5.37 A)
&rst
ixpk= 50, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1428,1429,
&end
#
# 95 PHE QD 0 AMB 20-1:51 4.50 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1432,1440,
igr2=1428,1429,1479,1480,
&end
#
# 95 PHE QD 95 PHE HB- 3.50 (# 52:20 Unique 2.42, 3.13 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1432,1440,
igr2=1428,1429,
&end
#
# 40 PHE HA 40 PHE HB+ 3.50 (# 53:20 Unique 2.43, 2.75 A)
&rst
ixpk= 53, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 95 PHE HA 95 PHE HB+ 5.50 (# 54:20 Unique 2.49, 2.77 A)
&rst
ixpk= 54, nxpk= 20, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 40 PHE QD 40 PHE HB+ 4.50 (# 55:20 Unique 2.34, 3.09 A)
&rst
ixpk= 55, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 596, 604,
igr2= 592, 593,
&end
#
# 40 PHE QD 40 PHE HB- 5.50 (# 56:20 Unique 2.34, 3.09 A)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 596, 604,
igr2= 592, 593,
&end
#
# 92 ALA HN 91 ILE HB 5.50 (# 57:20 Unique 2.48, 2.60 A)
&rst
ixpk= 57, nxpk= 20, iat=1386,1371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE HN 56 PHE HB- 4.50 (# 58:20 Unique 2.27, 2.61 A)
&rst
ixpk= 58, nxpk= 20, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 815, 816,
&end
#
# 56 PHE QE 56 PHE HB- 5.50 (# 59:20 Unique 4.69, 5.12 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 821, 825,
igr2= 815, 816,
&end
#
# 56 PHE HN 56 PHE HB+ 4.50 (# 60:20 Unique 2.27, 2.61 A)
&rst
ixpk= 60, nxpk= 20, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 815, 816,
&end
#
# 56 PHE QE 56 PHE HB+ 5.50 (# 61:20 Unique 4.69, 5.12 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 821, 825,
igr2= 815, 816,
&end
#
# 63 ASN HA 63 ASN HB+ 4.50 (# 62:20 Unique 2.53, 2.84 A)
&rst
ixpk= 62, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 63 ASN HA 63 ASN HB- 3.50 (# 63:20 Unique 2.53, 2.84 A)
&rst
ixpk= 63, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 91 ILE HN 91 ILE HB 5.50 (# 64:20 Unique 2.36, 2.41 A)
&rst
ixpk= 64, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE HN 90 ILE HB 5.50 (# 65:20 Unique 2.42, 2.50 A)
&rst
ixpk= 65, nxpk= 20, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ILE HN 124 ILE HB 5.50 (# 66:20 Unique 2.21, 2.45 A)
&rst
ixpk= 66, nxpk= 20, iat=1871,1875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU HN 0 AMB 20-1:67 5.50 (# 67:20 Single Ambig)
&rst
ixpk= 67, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2038,2039,2087,2088,
&end
#
# 0 AMB 20-2:68 0 AMB 20-1:68 4.50 (# 68:20 Double Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1049,2065,
igr2=1071,1072,2072,2073,
&end
#
# 136 GLU HN 135 GLU HG+ 5.50 (# 69:20 Unique 3.72, 4.37 A)
&rst
ixpk= 69, nxpk= 20, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2072,2073,
&end
#
# 72 GLU HN 72 GLU HG+ 4.50 (# 70:20 Unique 2.02, 2.64 A)
&rst
ixpk= 70, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1071,1072,
&end
#
# 6 VAL HN 6 VAL HB 5.50 (# 71:20 Unique 3.34, 3.45 A)
&rst
ixpk= 71, nxpk= 20, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLN HE2+ 71 GLU HG+ 5.50 (# 72:20 Unique 5.95, 7.27 A)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1056,1057,
&end
#
# 126 ILE HN 126 ILE HB 4.50 (# 73:20 Unique 2.58, 2.61 A)
&rst
ixpk= 73, nxpk= 20, iat=1902,1906, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 PHE HD2 71 GLU HG+ 5.50 (# 74:20 Unique 3.42, 4.33 A)
&rst
ixpk= 74, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 0 AMB 20-2:75 0 AMB 20-1:75 5.50 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1440, 846,
igr2=1056,1057, 838, 839,
&end
#
# 94 GLN HE2+ 71 GLU HG- 5.50 (# 76:20 Unique 5.95, 7.27 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1056,1057,
&end
#
# 127 TYR HN 126 ILE HB 5.50 (# 77:20 Unique 2.57, 2.68 A)
&rst
ixpk= 77, nxpk= 20, iat=1921,1906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HN 57 GLU HG+ 5.50 (# 78:20 Unique 2.55, 4.18 A)
&rst
ixpk= 78, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 0 AMB 20-2:81 0 AMB 20-1:81 5.50 (# 81:20 Double Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1729,1645,
igr2=1652,1653,1652,1653,
&end
#
# 104 THR HN 107 GLU HG+ 4.50 (# 82:20 Unique 3.45, 3.96 A)
&rst
ixpk= 82, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1652,1653,
&end
#
# 0 AMB 20-2:83 107 GLU HG- 4.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1660,1729,
igr2=1652,1653,
&end
#
# 103 PHE QD 107 GLU HG- 5.50 (# 84:20 Unique 2.49, 5.64 A)
&rst
ixpk= 84, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1578,1586,
igr2=1652,1653,
&end
#
# 0 AMB 20-2:85 0 AMB 20-1:85 4.50 (# 85:20 Double Ambig)
&rst
ixpk= 85, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 782, 767, 811,
igr2= 774, 775, 774, 775, 774, 775,
&end
#
# 26 GLU HN 26 GLU HG+ 4.50 (# 86:20 Unique 2.54, 4.35 A)
&rst
ixpk= 86, nxpk= 20, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:88 0 AMB 20-1:88 4.50 (# 88:20 Double Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 434,2261, 792,
igr2= 426, 427, 426, 427, 387, 388, 774, 775,
&end
#
# 75 GLU HN 75 GLU HG- 5.50 (# 89:20 Unique 2.60, 3.27 A)
&rst
ixpk= 89, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:91 53 GLU HG- 4.50 (# 91:20 Single Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 782, 767, 811,
igr2= 774, 775,
&end
#
# 28 GLU HN 28 GLU HG+ 4.50 (# 92:20 Unique 2.50, 3.59 A)
&rst
ixpk= 92, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 426, 427,
&end
#
# 76 SER HN 75 GLU HG- 5.50 (# 93:20 Unique 4.66, 5.05 A)
&rst
ixpk= 93, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 75 GLU HN 75 GLU HG+ 5.50 (# 95:20 Unique 2.60, 3.27 A)
&rst
ixpk= 95, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 28 GLU HN 28 GLU HG- 5.50 (# 96:20 Unique 2.50, 3.59 A)
&rst
ixpk= 96, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 426, 427,
&end
#
# 36 SER HN 35 ARG HB+ 5.50 (# 97:20 Unique 2.16, 2.95 A)
&rst
ixpk= 97, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 35 ARG HA 35 ARG HB+ 5.50 (# 98:20 Unique 2.36, 2.70 A)
&rst
ixpk= 98, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 36 SER HN 35 ARG HB- 5.50 (# 99:20 Unique 2.16, 2.95 A)
&rst
ixpk= 99, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 35 ARG HA 35 ARG HB- 5.50 (# 100:20 Unique 2.36, 2.70 A)
&rst
ixpk= 100, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 33 ASN HN 32 VAL HB 4.50 (# 101:20 Unique 2.23, 2.29 A)
&rst
ixpk= 101, nxpk= 20, iat= 490, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LYS HA 46 LYS HB+ 4.50 (# 103:20 Unique 2.36, 2.46 A)
&rst
ixpk= 103, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 668, 669,
&end
#
# 46 LYS HN 46 LYS HB+ 5.50 (# 104:20 Unique 2.66, 3.60 A)
&rst
ixpk= 104, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 47 ALA HN 46 LYS HB+ 5.50 (# 105:20 Unique 2.18, 3.20 A)
&rst
ixpk= 105, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 46 LYS HN 46 LYS HB- 5.50 (# 106:20 Unique 2.66, 3.60 A)
&rst
ixpk= 106, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 46 LYS HA 46 LYS HB- 5.50 (# 107:20 Unique 2.36, 2.46 A)
&rst
ixpk= 107, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 0 AMB 20-2:108 34 VAL HB 4.50 (# 108:20 Single Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 504, 33,
&end
#
# 34 VAL HA 34 VAL HB 5.50 (# 109:20 Unique 2.33, 2.38 A)
&rst
ixpk= 109, nxpk= 20, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:110 0 AMB 20-1:110 3.50 (# 110:20 Double Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1976,1977,2157,
igr2=1971,1972,2164,2165,
&end
#
# 0 AMB 20-2:111 0 AMB 20-1:111 3.50 (# 111:20 Double Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1976,1977,2157,
igr2=1971,1972,2164,2165,
&end
#
# 129 GLN HN 129 GLN HG+ 4.50 (# 112:20 Unique 2.43, 3.14 A)
&rst
ixpk= 112, nxpk= 20, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1971,1972,
&end
#
# 144 GLN HN 144 GLN HG- 3.50 (# 113:20 Unique 2.30, 3.00 A)
&rst
ixpk= 113, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2232,2233,
&end
#
# 144 GLN HE2+ 144 GLN HG- 5.50 (# 114:20 Unique 2.25, 3.40 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 144 GLN HN 144 GLN HG+ 3.50 (# 115:20 Unique 2.30, 3.00 A)
&rst
ixpk= 115, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2232,2233,
&end
#
# 129 GLN HN 129 GLN HG- 4.50 (# 116:20 Unique 2.43, 3.14 A)
&rst
ixpk= 116, nxpk= 20, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1971,1972,
&end
#
# 144 GLN HE2+ 144 GLN HG+ 5.50 (# 117:20 Unique 2.25, 3.40 A)
&rst
ixpk= 117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 144 GLN HE2- 144 GLN HG+ 5.50 (# 118:20 Unique 2.25, 3.40 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 65 VAL HN 65 VAL HB 4.50 (# 119:20 Unique 2.54, 2.70 A)
&rst
ixpk= 119, nxpk= 20, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLN HN 89 GLN HG+ 4.50 (# 120:20 Unique 2.38, 3.16 A)
&rst
ixpk= 120, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1338,1339,
&end
#
# 89 GLN HN 89 GLN HG- 4.50 (# 121:20 Unique 2.38, 3.16 A)
&rst
ixpk= 121, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1338,1339,
&end
#
# 94 GLN HN 94 GLN HG+ 4.50 (# 122:20 Unique 2.24, 2.67 A)
&rst
ixpk= 122, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1414,1415,
&end
#
# 94 GLN HE2+ 94 GLN HG+ 5.50 (# 123:20 Unique 2.21, 3.21 A)
&rst
ixpk= 123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1414,1415,
&end
#
# 94 GLN HE2+ 94 GLN HG- 5.50 (# 124:20 Unique 2.21, 3.21 A)
&rst
ixpk= 124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1414,1415,
&end
#
# 94 GLN HN 94 GLN HG- 5.50 (# 125:20 Unique 2.24, 2.67 A)
&rst
ixpk= 125, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 110 THR HN 109 VAL HB 5.50 (# 126:20 Unique 2.09, 2.76 A)
&rst
ixpk= 126, nxpk= 20, iat=1697,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HN 109 VAL HB 4.50 (# 127:20 Unique 2.53, 2.57 A)
&rst
ixpk= 127, nxpk= 20, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LYS HN 146 LYS HB+ 3.00 (# 128:20 Unique 2.15, 2.87 A)
&rst
ixpk= 128, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2265,2266,
&end
#
# 22 LYS HN 22 LYS HB+ 5.50 (# 129:20 Unique 2.32, 2.99 A)
&rst
ixpk= 129, nxpk= 20, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 23 SER HN 22 LYS HB+ 5.50 (# 130:20 Unique 2.57, 3.06 A)
&rst
ixpk= 130, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 23 SER HN 22 LYS HB- 5.50 (# 131:20 Unique 2.57, 3.06 A)
&rst
ixpk= 131, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 322, 323,
&end
#
# 22 LYS HN 22 LYS HB- 4.50 (# 132:20 Unique 2.32, 2.99 A)
&rst
ixpk= 132, nxpk= 20, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 322, 323,
&end
#
# 0 AMB 20-2:133 0 AMB 20-1:133 3.50 (# 133:20 Double Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2261,1765, 608,
igr2=2265,2266,1769,1009,1010,
&end
#
# 80 VAL HN 80 VAL HB 5.50 (# 134:20 Unique 2.50, 2.67 A)
&rst
ixpk= 134, nxpk= 20, iat=1182,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 VAL HA 80 VAL HB 3.50 (# 135:20 Unique 2.11, 2.17 A)
&rst
ixpk= 135, nxpk= 20, iat=1556,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 148 ASP HN 147 LYS HB+ 5.50 (# 136:20 Unique 2.42, 3.37 A)
&rst
ixpk= 136, nxpk= 20, iat=2305, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2287,2288,
&end
#
# 69 LEU HN 68 PRO HB- 5.50 (# 137:20 Unique 2.86, 3.37 A)
&rst
ixpk= 137, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1009,1010,
&end
#
# 144 GLN HN 143 LYS HB- 4.50 (# 138:20 Unique 2.59, 3.17 A)
&rst
ixpk= 138, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2207,2208,
&end
#
# 143 LYS HN 143 LYS HB- 4.50 (# 139:20 Unique 2.21, 3.00 A)
&rst
ixpk= 139, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2207,2208,
&end
#
# 102 VAL HA 102 VAL HB 4.50 (# 140:20 Unique 2.17, 2.86 A)
&rst
ixpk= 140, nxpk= 20, iat=1556,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 GLN HN 143 LYS HB+ 4.50 (# 141:20 Unique 2.59, 3.17 A)
&rst
ixpk= 141, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2207,2208,
&end
#
# 143 LYS HN 143 LYS HB+ 3.50 (# 142:20 Unique 2.21, 3.00 A)
&rst
ixpk= 142, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2207,2208,
&end
#
# 102 VAL HN 102 VAL HB 4.50 (# 143:20 Unique 2.64, 2.91 A)
&rst
ixpk= 143, nxpk= 20, iat=1554,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ASP HN 1 MET HG+ 5.50 (# 144:20 Unique 2.92, 3.85 A)
&rst
ixpk= 144, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 52 VAL HN 52 VAL HB 4.50 (# 145:20 Unique 2.09, 2.10 A)
&rst
ixpk= 145, nxpk= 20, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:146 52 VAL HB 4.50 (# 146:20 Single Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 767, 782,
&end
#
# 150 ARG HN 150 ARG HB+ 5.50 (# 147:20 Unique 2.26, 3.05 A)
&rst
ixpk= 147, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2345,2346,
&end
#
# 150 ARG HN 150 ARG HB- 4.50 (# 148:20 Unique 2.26, 3.05 A)
&rst
ixpk= 148, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2345,2346,
&end
#
# 139 ARG HN 139 ARG HB+ 4.50 (# 149:20 Unique 2.33, 2.76 A)
&rst
ixpk= 149, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2137,2138,
&end
#
# 0 AMB 20-2:150 0 AMB 20-1:150 4.50 (# 150:20 Double Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 254,2317,
igr2= 258, 259,2321,2322,
&end
#
# 139 ARG HN 139 ARG HB- 5.50 (# 151:20 Unique 2.33, 2.76 A)
&rst
ixpk= 151, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2137,2138,
&end
#
# 149 ARG HN 149 ARG HB- 5.50 (# 152:20 Unique 2.27, 2.91 A)
&rst
ixpk= 152, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2321,2322,
&end
#
# 28 GLU HN 28 GLU HB+ 4.50 (# 153:20 Unique 2.29, 2.81 A)
&rst
ixpk= 153, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 423, 424,
&end
#
# 57 GLU HN 57 GLU HB+ 3.50 (# 154:20 Unique 2.24, 2.57 A)
&rst
ixpk= 154, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836,
&end
#
# 133 GLU HN 133 GLU HB+ 4.50 (# 155:20 Unique 2.38, 2.53 A)
&rst
ixpk= 155, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2035,2036,
&end
#
# 133 GLU HN 133 GLU HB- 4.50 (# 156:20 Unique 2.38, 2.53 A)
&rst
ixpk= 156, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2035,2036,
&end
#
# 28 GLU HN 27 ARG HB+ 3.50 (# 157:20 Unique 2.55, 3.46 A)
&rst
ixpk= 157, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 399, 400,
&end
#
# 27 ARG HN 27 ARG HB+ 3.00 (# 158:20 Unique 2.38, 3.10 A)
&rst
ixpk= 158, nxpk= 20, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:159 0 AMB 20-1:159 5.50 (# 159:20 Double Ambig)
&rst
ixpk= 159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 868, 434, 792,1396,
igr2= 835, 836, 399, 400, 771, 772,1500,1501,
&end
#
# 99 ARG HN 99 ARG HB- 4.50 (# 160:20 Unique 2.32, 2.60 A)
&rst
ixpk= 160, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1500,1501,
&end
#
# 28 GLU HN 28 GLU HB- 4.50 (# 161:20 Unique 2.29, 2.81 A)
&rst
ixpk= 161, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 423, 424,
&end
#
# 99 ARG HN 99 ARG HB+ 4.50 (# 162:20 Unique 2.32, 2.60 A)
&rst
ixpk= 162, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1500,1501,
&end
#
# 95 PHE HN 94 GLN HB- 5.50 (# 163:20 Unique 3.87, 4.02 A)
&rst
ixpk= 163, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,
&end
#
# 95 PHE QD 94 GLN HB- 5.50 (# 164:20 Unique 3.66, 5.65 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1411,1412,
&end
#
# 94 GLN HN 94 GLN HB- 4.50 (# 165:20 Unique 2.81, 3.27 A)
&rst
ixpk= 165, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1411,1412,
&end
#
# 94 GLN HN 94 GLN HB+ 4.50 (# 166:20 Unique 2.81, 3.27 A)
&rst
ixpk= 166, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1411,1412,
&end
#
# 0 AMB 20-2:167 0 AMB 20-1:167 3.50 (# 167:20 Double Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 767,2046, 782,
igr2= 771, 772,2035,2036, 771, 772,
&end
#
# 0 AMB 20-2:168 0 AMB 20-1:168 4.50 (# 168:20 Double Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 318, 178,
igr2= 328, 329, 185, 186,
&end
#
# 135 GLU HN 135 GLU HB+ 3.50 (# 169:20 Unique 2.45, 2.55 A)
&rst
ixpk= 169, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2069,2070,
&end
#
# 0 AMB 20-2:170 0 AMB 20-1:170 3.50 (# 170:20 Double Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 767, 782,1520,
igr2= 771, 772,1500,1501,
&end
#
# 136 GLU HN 135 GLU HB+ 3.00 (# 172:20 Unique 2.54, 3.27 A)
&rst
ixpk= 172, nxpk= 20, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2069,2070,
&end
#
# 71 GLU HN 71 GLU HB+ 4.50 (# 173:20 Unique 2.26, 2.45 A)
&rst
ixpk= 173, nxpk= 20, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 95 PHE HD2 71 GLU HB+ 4.50 (# 174:20 Unique 2.89, 3.91 A)
&rst
ixpk= 174, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 137 LEU HN 136 GLU HB+ 4.50 (# 175:20 Unique 2.61, 3.28 A)
&rst
ixpk= 175, nxpk= 20, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2084,2085,
&end
#
# 0 AMB 20-2:176 0 AMB 20-1:176 3.00 (# 176:20 Double Ambig)
&rst
ixpk= 176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2080, 380, 395,
igr2=2084,2085, 384, 385, 384, 385,
&end
#
# 71 GLU HN 71 GLU HB- 5.50 (# 177:20 Unique 2.26, 2.45 A)
&rst
ixpk= 177, nxpk= 20, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1053,1054,
&end
#
# 72 GLU HN 71 GLU HB- 4.50 (# 178:20 Unique 2.83, 3.42 A)
&rst
ixpk= 178, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 75 GLU HN 75 GLU HB+ 3.50 (# 179:20 Unique 2.28, 2.95 A)
&rst
ixpk= 179, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1119,1120,
&end
#
# 76 SER HN 75 GLU HB+ 5.50 (# 180:20 Unique 2.81, 3.40 A)
&rst
ixpk= 180, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 75 GLU HN 75 GLU HB- 3.50 (# 181:20 Unique 2.28, 2.95 A)
&rst
ixpk= 181, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1119,1120,
&end
#
# 76 SER HN 75 GLU HB- 4.50 (# 182:20 Unique 2.81, 3.40 A)
&rst
ixpk= 182, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1119,1120,
&end
#
# 55 LEU HN 55 LEU HG 5.50 (# 183:20 Unique 3.92, 4.00 A)
&rst
ixpk= 183, nxpk= 20, iat= 792, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HN 71 GLU HB+ 5.50 (# 184:20 Unique 2.83, 3.42 A)
&rst
ixpk= 184, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1053,1054,
&end
#
# 0 AMB 20-2:185 0 AMB 20-1:185 5.50 (# 185:20 Double Ambig)
&rst
ixpk= 185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2203,1976,1977,
igr2=2213,2214,1952,1953,
&end
#
# 46 LYS HA 46 LYS HD+ 5.50 (# 186:20 Unique 4.30, 4.93 A)
&rst
ixpk= 186, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 72 GLU HN 72 GLU HB+ 3.50 (# 187:20 Unique 2.62, 3.12 A)
&rst
ixpk= 187, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:188 0 AMB 20-1:188 4.50 (# 188:20 Double Ambig)
&rst
ixpk= 188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1079,1098,
igr2=1068,1069,1068,1069,
&end
#
# 72 GLU HN 72 GLU HB- 4.50 (# 189:20 Unique 2.62, 3.12 A)
&rst
ixpk= 189, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:190 72 GLU HB- 5.50 (# 190:20 Single Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1079,1098,
igr2=1068,1069,
&end
#
# 139 ARG HN 139 ARG HG- 5.50 (# 191:20 Unique 2.56, 3.84 A)
&rst
ixpk= 191, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2140,2141,
&end
#
# 144 GLN HN 144 GLN HB+ 3.50 (# 192:20 Unique 2.42, 3.08 A)
&rst
ixpk= 192, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2229,2230,
&end
#
# 90 ILE HN 90 ILE HG1+ 5.50 (# 193:20 Unique 2.31, 3.07 A)
&rst
ixpk= 193, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1358,1359,
&end
#
# 144 GLN HN 144 GLN HB- 3.50 (# 194:20 Unique 2.42, 3.08 A)
&rst
ixpk= 194, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2229,2230,
&end
#
# 126 ILE HN 126 ILE HG1- 5.50 (# 195:20 Unique 2.10, 2.91 A)
&rst
ixpk= 195, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 126 ILE HN 126 ILE HG1+ 5.50 (# 196:20 Unique 2.10, 2.91 A)
&rst
ixpk= 196, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 130 THR HN 129 GLN HB- 5.50 (# 197:20 Unique 2.62, 3.13 A)
&rst
ixpk= 197, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1968,1969,
&end
#
# 129 GLN HN 129 GLN HB- 4.50 (# 198:20 Unique 2.37, 3.04 A)
&rst
ixpk= 198, nxpk= 20, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1968,1969,
&end
#
# 89 GLN HN 89 GLN HB- 3.00 (# 199:20 Unique 2.34, 2.99 A)
&rst
ixpk= 199, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1335,1336,
&end
#
# 129 GLN HN 129 GLN HB+ 4.50 (# 200:20 Unique 2.37, 3.04 A)
&rst
ixpk= 200, nxpk= 20, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1968,1969,
&end
#
# 141 LEU HN 140 GLN HB+ 5.50 (# 204:20 Unique 2.68, 3.20 A)
&rst
ixpk= 204, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2161,2162,
&end
#
# 140 GLN HN 140 GLN HB+ 4.50 (# 205:20 Unique 2.40, 3.05 A)
&rst
ixpk= 205, nxpk= 20, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2161,2162,
&end
#
# 141 LEU HN 140 GLN HB- 5.50 (# 206:20 Unique 2.68, 3.20 A)
&rst
ixpk= 206, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2161,2162,
&end
#
# 140 GLN HN 140 GLN HB- 4.50 (# 207:20 Unique 2.40, 3.05 A)
&rst
ixpk= 207, nxpk= 20, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2161,2162,
&end
#
# 130 THR HN 129 GLN HB+ 5.50 (# 208:20 Unique 2.62, 3.13 A)
&rst
ixpk= 208, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1968,1969,
&end
#
# 0 AMB 20-2:209 107 GLU HB- 4.50 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1645,1729,
igr2=1649,1650,
&end
#
# 27 ARG HN 27 ARG HG+ 4.50 (# 210:20 Unique 2.35, 3.29 A)
&rst
ixpk= 210, nxpk= 20, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 402, 403,
&end
#
# 27 ARG HN 27 ARG HG- 4.50 (# 211:20 Unique 2.35, 3.29 A)
&rst
ixpk= 211, nxpk= 20, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:212 0 AMB 20-1:212 5.50 (# 212:20 Double Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 298,1781,2114,
igr2= 286,1611,
&end
#
# 0 AMB 20-2:214 0 AMB 20-1:214 5.50 (# 214:20 Double Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2065,1217,
igr2= 286,1611,
&end
#
# 0 AMB 20-2:216 73 LEU HG 4.50 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1098,1079,
&end
#
# 30 LEU HN 30 LEU HG 4.50 (# 217:20 Unique 3.29, 3.75 A)
&rst
ixpk= 217, nxpk= 20, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:218 105 LEU HG 5.50 (# 218:20 Single Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1765,1681,
&end
#
# 150 ARG HN 150 ARG HG+ 4.50 (# 219:20 Unique 1.92, 3.53 A)
&rst
ixpk= 219, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2348,2349,
&end
#
# 138 LEU HN 137 LEU HG 5.50 (# 220:20 Unique 3.91, 4.02 A)
&rst
ixpk= 220, nxpk= 20, iat=2114,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:224 0 AMB 20-1:224 4.50 (# 224:20 Double Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2261,2095,1681,
igr2=2249,2102,
&end
#
# 35 ARG HA 35 ARG HG+ 5.50 (# 225:20 Unique 2.28, 3.44 A)
&rst
ixpk= 225, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 527, 528,
&end
#
# 145 LEU HN 145 LEU HG 5.50 (# 226:20 Unique 2.38, 2.45 A)
&rst
ixpk= 226, nxpk= 20, iat=2242,2249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 ARG HN 149 ARG HG+ 5.50 (# 227:20 Unique 2.24, 4.17 A)
&rst
ixpk= 227, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2324,2325,
&end
#
# 0 AMB 20-2:228 81 LEU MD1 7.00 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1198,1182,1604,2174,
igr2=1207,1208,1209,
&end
#
# 5 PHE QD 81 LEU MD1 4.50 (# 229:20 Unique 3.39, 5.91 A)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 79, 87,
igr2=1207,1208,1209,
&end
#
# 67 SER HA 68 PRO HG+ 5.50 (# 230:20 Unique 4.59, 4.68 A)
&rst
ixpk= 230, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1006,1007,
&end
#
# 145 LEU HN 145 LEU MD1 4.50 (# 231:20 Unique 3.78, 4.66 A)
&rst
ixpk= 231, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2251,2252,2253,
&end
#
# 21 PHE QE 145 LEU MD1 5.50 (# 232:20 Unique 2.63, 4.31 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 312,
igr2=2251,2252,2253,
&end
#
# 21 PHE QD 145 LEU MD1 4.50 (# 233:20 Unique 4.39, 6.08 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 306, 314,
igr2=2251,2252,2253,
&end
#
# 22 LYS HN 22 LYS HG- 5.50 (# 236:20 Unique 2.46, 3.17 A)
&rst
ixpk= 236, nxpk= 20, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:237 141 LEU HG 5.50 (# 237:20 Single Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 308, 312, 81, 85,
&end
#
# 21 PHE QD 141 LEU HG 5.50 (# 238:20 Unique 5.58, 6.81 A)
&rst
ixpk= 238, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 314,
&end
#
# 108 TYR QE 141 LEU HG 5.50 (# 239:20 Unique 2.16, 4.29 A)
&rst
ixpk= 239, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1670,1675,
&end
#
# 99 ARG HN 99 ARG HG+ 4.50 (# 240:20 Unique 1.99, 4.10 A)
&rst
ixpk= 240, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1503,1504,
&end
#
# 99 ARG HN 99 ARG HG- 5.50 (# 241:20 Unique 1.99, 4.10 A)
&rst
ixpk= 241, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:242 73 LEU MD2 4.50 (# 242:20 Single Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1098,1079,
igr2=1092,1093,1094,
&end
#
# 70 THR HN 73 LEU MD2 4.50 (# 243:20 Unique 3.11, 4.17 A)
&rst
ixpk= 243, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1092,1093,1094,
&end
#
# 146 LYS HN 146 LYS HG+ 5.50 (# 244:20 Unique 2.66, 3.44 A)
&rst
ixpk= 244, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2268,2269,
&end
#
# 143 LYS HN 143 LYS HG+ 4.50 (# 245:20 Unique 2.39, 3.38 A)
&rst
ixpk= 245, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2210,2211,
&end
#
# 146 LYS HN 146 LYS HG- 5.50 (# 246:20 Unique 2.66, 3.44 A)
&rst
ixpk= 246, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2268,2269,
&end
#
# 143 LYS HN 143 LYS HG- 5.50 (# 247:20 Unique 2.39, 3.38 A)
&rst
ixpk= 247, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2211,
&end
#
# 130 THR HN 117 LEU MD1 5.50 (# 248:20 Unique 2.90, 4.78 A)
&rst
ixpk= 248, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1790,1791,1792,
&end
#
# 147 LYS HN 147 LYS HG+ 5.50 (# 249:20 Unique 2.48, 4.23 A)
&rst
ixpk= 249, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2290,2291,
&end
#
# 0 AMB 20-2:251 0 AMB 20-1:251 4.50 (# 251:20 Double Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 441, 914,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 21 PHE QE 30 LEU MD1 5.50 (# 252:20 Unique 3.49, 5.00 A)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 312,
igr2= 450, 451, 452,
&end
#
# 0 AMB 20-2:253 0 AMB 20-1:253 5.50 (# 253:20 Double Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2242, 244,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 101 LYS HN 101 LYS HG+ 5.50 (# 255:20 Unique 2.17, 2.95 A)
&rst
ixpk= 255, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1539,1540,
&end
#
# 0 AMB 20-2:256 105 LEU MD1 5.50 (# 256:20 Single Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1604,2174,
igr2=1613,1614,1615,
&end
#
# 5 PHE QD 105 LEU MD1 4.50 (# 257:20 Unique 3.35, 6.25 A)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 79, 87,
igr2=1613,1614,1615,
&end
#
# 0 AMB 20-2:258 0 AMB 20-1:258 5.50 (# 258:20 Double Ambig)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 306, 314, 227,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 0 AMB 20-2:259 0 AMB 20-1:259 3.50 (# 259:20 Double Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2261, 792,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 0 AMB 20-2:260 55 LEU MD1 5.50 (# 260:20 Single Ambig)
&rst
ixpk= 260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 904, 811,
igr2= 801, 802, 803,
&end
#
# 20 LEU HN 55 LEU MD1 5.50 (# 261:20 Unique 3.34, 4.23 A)
&rst
ixpk= 261, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 801, 802, 803,
&end
#
# 46 LYS HN 46 LYS HG+ 4.50 (# 262:20 Unique 2.08, 3.13 A)
&rst
ixpk= 262, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 671, 672,
&end
#
# 46 LYS HA 46 LYS HG+ 5.50 (# 263:20 Unique 2.60, 3.72 A)
&rst
ixpk= 263, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 672,
&end
#
# 134 LEU HN 134 LEU MD1 5.50 (# 264:20 Unique 4.39, 4.93 A)
&rst
ixpk= 264, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:265 0 AMB 20-1:265 5.50 (# 265:20 Double Ambig)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2174,1604,2046, 767,
igr2=2108,2109,2110, 927, 928, 929,
&end
#
# 0 AMB 20-2:266 137 LEU MD2 5.50 (# 266:20 Single Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1668,2157,
igr2=2108,2109,2110,
&end
#
# 0 AMB 20-2:267 62 LEU QD2 4.50 (# 267:20 Single Ambig)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 942, 943, 227,
igr2= 927, 928, 929,
&end
#
# 138 LEU HN 137 LEU MD2 5.50 (# 268:20 Unique 4.00, 5.16 A)
&rst
ixpk= 268, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2108,2109,2110,
&end
#
# 80 VAL HN 79 LEU MD1 5.50 (# 270:20 Unique 2.40, 3.57 A)
&rst
ixpk= 270, nxpk= 20, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1172,1173,1174,
&end
#
# 103 PHE QE 79 LEU MD1 5.50 (# 271:20 Unique 2.66, 4.95 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1580,1584,
igr2=1172,1173,1174,
&end
#
# 103 PHE QD 79 LEU MD1 5.50 (# 272:20 Unique 2.35, 4.70 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1578,1586,
igr2=1172,1173,1174,
&end
#
# 108 TYR QE 79 LEU MD1 5.50 (# 273:20 Unique 2.58, 4.89 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2=1172,1173,1174,
&end
#
# 103 PHE HD2 79 LEU MD1 5.50 (# 274:20 Unique 2.35, 5.06 A)
&rst
ixpk= 274, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1172,1173,1174,
&end
#
# 0 AMB 20-2:275 117 LEU MD2 5.50 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1800,1981,
igr2=1794,1795,1796,
&end
#
# 82 ALA HN 81 LEU HG 5.50 (# 276:20 Unique 4.12, 4.20 A)
&rst
ixpk= 276, nxpk= 20, iat=1217,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE HN 81 LEU HG 5.50 (# 277:20 Unique 3.79, 3.89 A)
&rst
ixpk= 277, nxpk= 20, iat=1570,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:278 81 LEU HG 4.50 (# 278:20 Single Ambig)
&rst
ixpk= 278, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1198,1182,1604,
&end
#
# 108 TYR HN 81 LEU HG 5.50 (# 279:20 Unique 5.16, 5.33 A)
&rst
ixpk= 279, nxpk= 20, iat=1660,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE QD 81 LEU HG 4.50 (# 280:20 Unique 4.07, 5.46 A)
&rst
ixpk= 280, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1578,1586,
&end
#
# 108 TYR QE 81 LEU HG 5.50 (# 281:20 Unique 5.25, 5.62 A)
&rst
ixpk= 281, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1670,1675,
&end
#
# 0 AMB 20-2:282 81 LEU HG 4.50 (# 282:20 Single Ambig)
&rst
ixpk= 282, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1586,1668,
&end
#
# 81 LEU HA 81 LEU HG 3.50 (# 283:20 Unique 2.26, 2.33 A)
&rst
ixpk= 283, nxpk= 20, iat=1200,1205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:284 81 LEU HG 5.50 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1556,1572,
&end
#
# 117 LEU HN 117 LEU MD2 5.50 (# 285:20 Unique 2.28, 5.11 A)
&rst
ixpk= 285, nxpk= 20, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1794,1795,1796,
&end
#
# 34 VAL HN 34 VAL MG2 5.50 (# 286:20 Unique 2.34, 3.48 A)
&rst
ixpk= 286, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 35 ARG HN 34 VAL MG2 4.50 (# 287:20 Unique 3.48, 4.44 A)
&rst
ixpk= 287, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 514, 515, 516,
&end
#
# 21 PHE HD2 34 VAL MG2 4.50 (# 288:20 Unique 2.99, 4.27 A)
&rst
ixpk= 288, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 514, 515, 516,
&end
#
# 5 PHE QE 34 VAL MG2 5.50 (# 289:20 Unique 2.54, 5.70 A)
&rst
ixpk= 289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 81, 85,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:290 34 VAL MG2 3.00 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 306, 314, 79, 87,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:292 34 VAL MG2 3.50 (# 292:20 Single Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 506, 492,
igr2= 514, 515, 516,
&end
#
# 108 TYR HN 109 VAL MG2 5.50 (# 293:20 Unique 3.77, 5.04 A)
&rst
ixpk= 293, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 141 LEU HN 109 VAL MG2 5.50 (# 294:20 Unique 3.86, 4.75 A)
&rst
ixpk= 294, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 108 TYR QE 109 VAL MG2 5.50 (# 295:20 Unique 3.92, 6.29 A)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2=1691,1692,1693,
&end
#
# 108 TYR HD1 109 VAL MG2 4.50 (# 296:20 Unique 2.28, 3.00 A)
&rst
ixpk= 296, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:297 109 VAL MG2 5.50 (# 297:20 Single Ambig)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1697,2225,
igr2=1691,1692,1693,
&end
#
# 109 VAL HN 109 VAL MG2 3.50 (# 298:20 Unique 2.09, 3.13 A)
&rst
ixpk= 298, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:299 141 LEU MD1 4.50 (# 299:20 Single Ambig)
&rst
ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1681,2095,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:300 79 LEU MD2 4.50 (# 300:20 Single Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1182,1198,
igr2=1176,1177,1178,
&end
#
# 0 AMB 20-2:301 79 LEU MD2 4.50 (# 301:20 Single Ambig)
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1668,1580,1584,
igr2=1176,1177,1178,
&end
#
# 103 PHE QD 79 LEU MD2 4.50 (# 302:20 Unique 3.95, 6.73 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1578,1586,
igr2=1176,1177,1178,
&end
#
# 108 TYR QE 79 LEU MD2 4.50 (# 303:20 Unique 3.21, 4.26 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1670,1675,
igr2=1176,1177,1178,
&end
#
# 0 AMB 20-2:304 79 LEU MD2 5.50 (# 304:20 Single Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1668,1586,
igr2=1176,1177,1178,
&end
#
# 40 PHE HN 8 THR MG2 5.50 (# 305:20 Unique 3.36, 5.07 A)
&rst
ixpk= 305, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 124, 125, 126,
&end
#
# 40 PHE QD 8 THR MG2 4.50 (# 306:20 Unique 2.26, 5.26 A)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 596, 604,
igr2= 124, 125, 126,
&end
#
# 108 TYR QE 141 LEU MD1 3.50 (# 307:20 Unique 3.65, 6.18 A)
&rst
ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1670,1675,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:308 73 LEU MD1 4.50 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1079,1098,
igr2=1088,1089,1090,
&end
#
# 70 THR HN 73 LEU MD1 5.50 (# 309:20 Unique 5.74, 6.24 A)
&rst
ixpk= 309, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 39 VAL HN 6 VAL MG2 3.50 (# 310:20 Unique 2.68, 3.50 A)
&rst
ixpk= 310, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 101, 102, 103,
&end
#
# 141 LEU HN 141 LEU MD1 4.50 (# 311:20 Unique 2.51, 4.03 A)
&rst
ixpk= 311, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:312 141 LEU MD1 5.50 (# 312:20 Single Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 306, 314, 79, 87,
igr2=2183,2184,2185,
&end
#
# 108 TYR HD1 141 LEU MD1 3.50 (# 313:20 Unique 2.41, 3.39 A)
&rst
ixpk= 313, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2183,2184,2185,
&end
#
# 7 CYS HN 6 VAL MG2 4.50 (# 314:20 Unique 2.45, 3.51 A)
&rst
ixpk= 314, nxpk= 20, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 101, 102, 103,
&end
#
# 6 VAL HA 6 VAL MG2 4.50 (# 315:20 Unique 2.53, 3.26 A)
&rst
ixpk= 315, nxpk= 20, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:317 0 AMB 20-1:317 4.50 (# 317:20 Double Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1227, 91,2193,
igr2= 101, 102, 103,2183,2184,2185,
&end
#
# 20 LEU HN 20 LEU QD1 5.50 (# 318:20 Unique 4.24, 5.06 A)
&rst
ixpk= 318, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 288, 289, 290,
&end
#
# 48 THR HN 48 THR MG2 4.50 (# 319:20 Unique 2.00, 3.04 A)
&rst
ixpk= 319, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 702, 703, 704,
&end
#
# 51 ALA HN 48 THR MG2 5.50 (# 321:20 Unique 3.91, 4.61 A)
&rst
ixpk= 321, nxpk= 20, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 702, 703, 704,
&end
#
# 46 LYS HA 48 THR MG2 7.00 (# 322:20 Unique 6.58, 7.52 A)
&rst
ixpk= 322, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 702, 703, 704,
&end
#
# 0 AMB 20-2:323 34 VAL MG1 3.50 (# 323:20 Single Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 504, 33,
igr2= 510, 511, 512,
&end
#
# 35 ARG HN 34 VAL MG1 5.50 (# 324:20 Unique 4.23, 4.84 A)
&rst
ixpk= 324, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 510, 511, 512,
&end
#
# 21 PHE HD2 34 VAL MG1 3.50 (# 325:20 Unique 2.28, 3.00 A)
&rst
ixpk= 325, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 510, 511, 512,
&end
#
# 5 PHE QE 34 VAL MG1 5.50 (# 326:20 Unique 2.37, 5.31 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 81, 85,
igr2= 510, 511, 512,
&end
#
# 21 PHE QD 34 VAL MG1 4.50 (# 327:20 Unique 2.28, 4.76 A)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 306, 314,
igr2= 510, 511, 512,
&end
#
# 0 AMB 20-2:328 34 VAL MG1 3.50 (# 328:20 Single Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 506, 492,
igr2= 510, 511, 512,
&end
#
# 0 AMB 20-2:329 69 LEU MD1 5.50 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1098,1079,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:330 0 AMB 20-1:330 4.50 (# 330:20 Double Ambig)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1198, 588,
igr2= 97, 98, 99, 582, 583, 584,
&end
#
# 39 VAL HN 39 VAL MG2 4.50 (# 331:20 Unique 1.91, 2.86 A)
&rst
ixpk= 331, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 582, 583, 584,
&end
#
# 40 PHE QD 39 VAL MG2 5.50 (# 332:20 Unique 2.33, 6.07 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 596, 604,
igr2= 582, 583, 584,
&end
#
# 91 ILE HN 0 AMB 20-1:333 4.50 (# 333:20 Single Ambig)
&rst
ixpk= 333, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 582, 583, 584, 97, 98, 99,
&end
#
# 82 ALA HA 6 VAL MG1 5.50 (# 334:20 Unique 2.08, 3.05 A)
&rst
ixpk= 334, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 0 AMB 20-2:335 6 VAL MG1 5.50 (# 335:20 Single Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 91,1227,
igr2= 97, 98, 99,
&end
#
# 0 AMB 20-2:336 0 AMB 20-1:336 5.50 (# 336:20 Double Ambig)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 107, 132,
igr2= 582, 583, 584, 97, 98, 99,
&end
#
# 6 VAL HA 0 AMB 20-1:337 4.50 (# 337:20 Single Ambig)
&rst
ixpk= 337, nxpk= 20, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 97, 98, 99, 582, 583, 584,
&end
#
# 69 LEU HN 69 LEU MD1 5.50 (# 338:20 Unique 4.90, 5.28 A)
&rst
ixpk= 338, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1025,1026,1027,
&end
#
# 70 THR HN 69 LEU MD1 4.50 (# 339:20 Unique 2.40, 3.48 A)
&rst
ixpk= 339, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1025,1026,1027,
&end
#
# 144 GLN HE2+ 109 VAL MG1 5.50 (# 340:20 Unique 2.69, 5.33 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=1687,1688,1689,
&end
#
# 0 AMB 20-2:341 0 AMB 20-1:341 5.50 (# 341:20 Double Ambig)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1697, 696,2225,
igr2=1687,1688,1689, 761, 762, 763,
&end
#
# 0 AMB 20-2:342 0 AMB 20-1:342 4.50 (# 342:20 Double Ambig)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1681, 792,2095, 608,
igr2=1687,1688,1689, 761, 762, 763, 559, 560, 561,
&end
#
# 144 GLN HE2- 109 VAL MG1 5.50 (# 343:20 Unique 2.69, 5.33 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=1687,1688,1689,
&end
#
# 108 TYR HD1 109 VAL MG1 5.50 (# 344:20 Unique 4.65, 5.47 A)
&rst
ixpk= 344, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1687,1688,1689,
&end
#
# 0 AMB 20-2:345 37 ALA MB 3.50 (# 345:20 Single Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 555,
igr2= 559, 560, 561,
&end
#
# 70 THR HN 37 ALA MB 5.50 (# 346:20 Unique 4.41, 5.06 A)
&rst
ixpk= 346, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 559, 560, 561,
&end
#
# 63 ASN HD2+ 52 VAL MG2 5.50 (# 347:20 Unique 3.02, 3.89 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 942, 943,
igr2= 761, 762, 763,
&end
#
# 0 AMB 20-2:348 0 AMB 20-1:348 5.50 (# 348:20 Double Ambig)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1016, 914,
igr2= 559, 560, 561, 761, 762, 763,
&end
#
# 52 VAL HN 52 VAL MG2 3.50 (# 349:20 Unique 3.99, 4.33 A)
&rst
ixpk= 349, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 761, 762, 763,
&end
#
# 145 LEU HN 145 LEU MD2 4.50 (# 350:20 Unique 2.82, 4.11 A)
&rst
ixpk= 350, nxpk= 20, iat=2242, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2255,2256,2257,
&end
#
# 108 TYR QE 145 LEU MD2 5.50 (# 351:20 Unique 2.20, 5.03 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2=2255,2256,2257,
&end
#
# 116 VAL HN 116 VAL MG2 4.50 (# 352:20 Unique 1.86, 3.13 A)
&rst
ixpk= 352, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1775,1776,1777,
&end
#
# 0 AMB 20-2:353 116 VAL MG2 5.50 (# 353:20 Single Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1781,2114,
igr2=1775,1776,1777,
&end
#
# 83 MET HA 116 VAL MG2 5.50 (# 354:20 Unique 4.60, 6.51 A)
&rst
ixpk= 354, nxpk= 20, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1775,1776,1777,
&end
#
# 85 HIS HN 84 THR MG2 5.50 (# 355:20 Unique 2.28, 4.50 A)
&rst
ixpk= 355, nxpk= 20, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1250,1251,1252,
&end
#
# 84 THR HN 84 THR MG2 5.50 (# 356:20 Unique 3.15, 4.18 A)
&rst
ixpk= 356, nxpk= 20, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1250,1251,1252,
&end
#
# 0 AMB 20-2:357 84 THR MG2 5.50 (# 357:20 Single Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1765,1309,
igr2=1250,1251,1252,
&end
#
# 84 THR HA 84 THR MG2 3.50 (# 358:20 Unique 2.40, 3.23 A)
&rst
ixpk= 358, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1250,1251,1252,
&end
#
# 83 MET HA 84 THR MG2 5.50 (# 359:20 Unique 4.53, 5.52 A)
&rst
ixpk= 359, nxpk= 20, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1250,1251,1252,
&end
#
# 33 ASN HN 32 VAL MG2 4.50 (# 360:20 Unique 3.53, 4.25 A)
&rst
ixpk= 360, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 484, 485, 486,
&end
#
# 32 VAL HN 32 VAL MG2 5.50 (# 361:20 Unique 2.63, 3.32 A)
&rst
ixpk= 361, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 484, 485, 486,
&end
#
# 21 PHE QD 32 VAL MG2 5.50 (# 362:20 Unique 2.45, 5.53 A)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 314,
igr2= 484, 485, 486,
&end
#
# 101 LYS HN 102 VAL MG2 5.50 (# 364:20 Unique 3.57, 4.85 A)
&rst
ixpk= 364, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1564,1565,1566,
&end
#
# 102 VAL HN 102 VAL MG2 3.50 (# 365:20 Unique 2.25, 3.36 A)
&rst
ixpk= 365, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1564,1565,1566,
&end
#
# 21 PHE QE 32 VAL MG2 4.50 (# 366:20 Unique 2.16, 5.22 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 308, 312,
igr2= 484, 485, 486,
&end
#
# 21 PHE HD2 32 VAL MG2 5.50 (# 367:20 Unique 2.45, 3.56 A)
&rst
ixpk= 367, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:368 102 VAL MG2 5.50 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1520,1182,1198,
igr2=1564,1565,1566,
&end
#
# 0 AMB 20-2:369 102 VAL MG2 3.50 (# 369:20 Single Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1556,1572,
igr2=1564,1565,1566,
&end
#
# 103 PHE HN 102 VAL MG2 4.50 (# 370:20 Unique 3.52, 4.97 A)
&rst
ixpk= 370, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1564,1565,1566,
&end
#
# 92 ALA HN 102 VAL MG2 5.50 (# 371:20 Unique 3.98, 5.34 A)
&rst
ixpk= 371, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1564,1565,1566,
&end
#
# 110 THR HN 110 THR MG2 3.50 (# 372:20 Unique 2.80, 3.86 A)
&rst
ixpk= 372, nxpk= 20, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1703,1704,1705,
&end
#
# 109 VAL HN 110 THR MG2 5.50 (# 373:20 Unique 4.07, 5.59 A)
&rst
ixpk= 373, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1703,1704,1705,
&end
#
# 111 GLY HN 110 THR MG2 5.50 (# 374:20 Unique 4.68, 5.35 A)
&rst
ixpk= 374, nxpk= 20, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1703,1704,1705,
&end
#
# 131 ARG HN 130 THR MG2 5.50 (# 375:20 Unique 2.43, 3.94 A)
&rst
ixpk= 375, nxpk= 20, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1987,1988,1989,
&end
#
# 130 THR HN 130 THR MG2 5.50 (# 376:20 Unique 2.84, 4.32 A)
&rst
ixpk= 376, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1987,1988,1989,
&end
#
# 71 GLU HN 70 THR MG2 5.50 (# 377:20 Unique 3.49, 4.26 A)
&rst
ixpk= 377, nxpk= 20, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 72 GLU HN 70 THR MG2 5.50 (# 378:20 Unique 5.58, 5.90 A)
&rst
ixpk= 378, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 70 THR HN 70 THR MG2 4.50 (# 379:20 Unique 3.29, 4.07 A)
&rst
ixpk= 379, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:380 70 THR MG2 7.00 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1079,1098,
igr2=1041,1042,1043,
&end
#
# 66 SER HN 65 VAL MG1 4.50 (# 382:20 Unique 3.00, 3.78 A)
&rst
ixpk= 382, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 970, 971, 972,
&end
#
# 65 VAL HN 65 VAL MG1 5.50 (# 383:20 Unique 4.34, 4.71 A)
&rst
ixpk= 383, nxpk= 20, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 46 LYS HA 65 VAL MG1 5.50 (# 384:20 Unique 3.62, 4.90 A)
&rst
ixpk= 384, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 53 GLU HN 52 VAL MG1 5.50 (# 385:20 Unique 2.26, 3.10 A)
&rst
ixpk= 385, nxpk= 20, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 757, 758, 759,
&end
#
# 62 LEU HN 52 VAL MG1 5.50 (# 386:20 Unique 5.89, 6.73 A)
&rst
ixpk= 386, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 757, 758, 759,
&end
#
# 52 VAL HN 52 VAL MG1 5.50 (# 387:20 Unique 2.63, 3.44 A)
&rst
ixpk= 387, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 757, 758, 759,
&end
#
# 0 AMB 20-2:388 80 VAL MG1 4.50 (# 388:20 Single Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1198,1182,
igr2=1188,1189,1190,
&end
#
# 102 VAL HA 80 VAL MG1 5.50 (# 389:20 Unique 3.33, 4.11 A)
&rst
ixpk= 389, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1188,1189,1190,
&end
#
# 82 ALA HN 82 ALA MB 3.50 (# 390:20 Unique 2.39, 2.96 A)
&rst
ixpk= 390, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:391 82 ALA MB 5.50 (# 391:20 Single Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1604,1198,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:392 82 ALA MB 4.50 (# 392:20 Single Ambig)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1244,1227,
igr2=1221,1222,1223,
&end
#
# 87 HIS HN 82 ALA MB 5.50 (# 393:20 Unique 4.14, 5.36 A)
&rst
ixpk= 393, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1221,1222,1223,
&end
#
# 88 LYS HN 82 ALA MB 4.50 (# 394:20 Unique 2.85, 3.70 A)
&rst
ixpk= 394, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1221,1222,1223,
&end
#
# 81 LEU HA 82 ALA MB 4.50 (# 395:20 Unique 4.29, 4.83 A)
&rst
ixpk= 395, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:396 82 ALA MB 3.00 (# 396:20 Single Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1219,1592,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:397 82 ALA MB 5.50 (# 397:20 Single Ambig)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1229,1556,
igr2=1221,1222,1223,
&end
#
# 46 LYS HN 11 THR MG2 5.50 (# 398:20 Unique 2.42, 3.94 A)
&rst
ixpk= 398, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 159, 160, 161,
&end
#
# 66 SER HN 65 VAL MG2 5.50 (# 399:20 Unique 4.41, 5.12 A)
&rst
ixpk= 399, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 65 VAL HN 65 VAL MG2 4.50 (# 400:20 Unique 2.48, 3.76 A)
&rst
ixpk= 400, nxpk= 20, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 974, 975, 976,
&end
#
# 46 LYS HA 65 VAL MG2 5.50 (# 401:20 Unique 3.58, 4.80 A)
&rst
ixpk= 401, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 5 PHE QD 83 MET HE 3.50 (# 402:20 Unique 2.31, 4.85 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 79, 87,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:403 83 MET HE 5.50 (# 403:20 Single Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1219,1592,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:405 83 MET HE 5.50 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1604,1198,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:406 83 MET HE 4.50 (# 406:20 Single Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 91,1227,
igr2=1238,1239,1240,
&end
#
# 5 PHE HA 83 MET HE 5.50 (# 407:20 Unique 3.17, 4.40 A)
&rst
ixpk= 407, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 117 LEU HN 116 VAL MG1 5.50 (# 408:20 Unique 1.85, 3.16 A)
&rst
ixpk= 408, nxpk= 20, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1771,1772,1773,
&end
#
# 40 PHE HN 39 VAL MG1 4.50 (# 409:20 Unique 4.07, 4.91 A)
&rst
ixpk= 409, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 578, 579, 580,
&end
#
# 39 VAL HN 39 VAL MG1 4.50 (# 410:20 Unique 2.63, 4.22 A)
&rst
ixpk= 410, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 578, 579, 580,
&end
#
# 40 PHE QD 39 VAL MG1 4.50 (# 411:20 Unique 3.56, 5.58 A)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 596, 604,
igr2= 578, 579, 580,
&end
#
# 87 HIS HD2 39 VAL MG1 5.50 (# 412:20 Unique 3.53, 5.80 A)
&rst
ixpk= 412, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 578, 579, 580,
&end
#
# 104 THR HN 104 THR MG2 5.50 (# 413:20 Unique 4.29, 4.53 A)
&rst
ixpk= 413, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1596,1597,1598,
&end
#
# 104 THR HA 104 THR MG2 4.50 (# 414:20 Unique 2.30, 2.93 A)
&rst
ixpk= 414, nxpk= 20, iat=1592, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1596,1597,1598,
&end
#
# 42 SER HN 41 ALA MB 4.50 (# 417:20 Unique 2.28, 3.42 A)
&rst
ixpk= 417, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 612, 613, 614,
&end
#
# 0 AMB 20-2:418 41 ALA MB 5.50 (# 418:20 Single Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 139, 565,
igr2= 612, 613, 614,
&end
#
# 69 LEU HN 41 ALA MB 5.50 (# 419:20 Unique 4.03, 5.24 A)
&rst
ixpk= 419, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 612, 613, 614,
&end
#
# 41 ALA HN 41 ALA MB 4.50 (# 420:20 Unique 2.33, 2.99 A)
&rst
ixpk= 420, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 612, 613, 614,
&end
#
# 67 SER HA 41 ALA MB 5.50 (# 421:20 Unique 4.14, 4.84 A)
&rst
ixpk= 421, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 612, 613, 614,
&end
#
# 0 AMB 20-2:422 80 VAL MG2 3.50 (# 422:20 Single Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1182,1198,
igr2=1192,1193,1194,
&end
#
# 102 VAL HA 80 VAL MG2 5.50 (# 423:20 Unique 4.01, 4.67 A)
&rst
ixpk= 423, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 21 PHE QE 32 VAL MG1 3.50 (# 424:20 Unique 2.30, 5.12 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 308, 312,
igr2= 480, 481, 482,
&end
#
# 0 AMB 20-2:425 32 VAL MG1 5.50 (# 425:20 Single Ambig)
&rst
ixpk= 425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 492, 506,
igr2= 480, 481, 482,
&end
#
# 4 ILE HN 80 VAL MG2 5.50 (# 427:20 Unique 3.27, 4.45 A)
&rst
ixpk= 427, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 33 ASN HN 32 VAL MG1 4.50 (# 428:20 Unique 3.95, 4.49 A)
&rst
ixpk= 428, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 480, 481, 482,
&end
#
# 32 VAL HN 32 VAL MG1 4.50 (# 429:20 Unique 3.46, 4.17 A)
&rst
ixpk= 429, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 480, 481, 482,
&end
#
# 21 PHE QD 32 VAL MG1 5.50 (# 430:20 Unique 4.00, 6.58 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 314,
igr2= 480, 481, 482,
&end
#
# 19 ALA HN 19 ALA MB 3.50 (# 431:20 Unique 2.45, 2.86 A)
&rst
ixpk= 431, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 273, 274, 275,
&end
#
# 92 ALA HN 91 ILE QG2 5.50 (# 432:20 Unique 3.39, 4.22 A)
&rst
ixpk= 432, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1373,1374,1375,
&end
#
# 95 PHE QD 91 ILE QG2 5.50 (# 433:20 Unique 2.39, 4.63 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1432,1440,
igr2=1373,1374,1375,
&end
#
# 95 PHE HD2 91 ILE QG2 5.50 (# 434:20 Unique 5.53, 6.37 A)
&rst
ixpk= 434, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1373,1374,1375,
&end
#
# 20 LEU HN 19 ALA MB 4.50 (# 435:20 Unique 2.61, 3.44 A)
&rst
ixpk= 435, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 273, 274, 275,
&end
#
# 61 ALA HN 19 ALA MB 5.50 (# 436:20 Unique 5.70, 6.66 A)
&rst
ixpk= 436, nxpk= 20, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 273, 274, 275,
&end
#
# 62 LEU HN 61 ALA MB 4.50 (# 437:20 Unique 2.49, 4.36 A)
&rst
ixpk= 437, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 908, 909, 910,
&end
#
# 78 ASP HN 77 ALA MB 4.50 (# 438:20 Unique 2.15, 3.07 A)
&rst
ixpk= 438, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1145,1146,1147,
&end
#
# 4 ILE HN 77 ALA MB 5.50 (# 439:20 Unique 3.56, 4.37 A)
&rst
ixpk= 439, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 79 LEU HN 77 ALA MB 4.50 (# 440:20 Unique 2.72, 3.74 A)
&rst
ixpk= 440, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1145,1146,1147,
&end
#
# 76 SER HN 77 ALA MB 5.50 (# 441:20 Unique 4.81, 5.44 A)
&rst
ixpk= 441, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 64 HIS HD2 47 ALA MB 5.50 (# 443:20 Unique 4.47, 5.94 A)
&rst
ixpk= 443, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 48 THR HN 47 ALA MB 4.50 (# 444:20 Unique 1.97, 3.52 A)
&rst
ixpk= 444, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 690, 691, 692,
&end
#
# 47 ALA HN 47 ALA MB 3.50 (# 445:20 Unique 2.26, 2.96 A)
&rst
ixpk= 445, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 690, 691, 692,
&end
#
# 46 LYS HA 47 ALA MB 5.50 (# 446:20 Unique 4.35, 5.06 A)
&rst
ixpk= 446, nxpk= 20, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 142 ALA HN 142 ALA MB 3.00 (# 447:20 Unique 2.46, 2.91 A)
&rst
ixpk= 447, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:448 142 ALA MB 5.50 (# 448:20 Single Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 419, 351,
igr2=2197,2198,2199,
&end
#
# 21 PHE HD2 142 ALA MB 6.50 (# 449:20 Unique 5.94, 6.95 A)
&rst
ixpk= 449, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2197,2198,2199,
&end
#
# 21 PHE QE 142 ALA MB 3.50 (# 450:20 Unique 2.35, 4.56 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 308, 312,
igr2=2197,2198,2199,
&end
#
# 21 PHE QD 142 ALA MB 5.50 (# 451:20 Unique 3.99, 6.11 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 314,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:452 142 ALA MB 5.50 (# 452:20 Single Ambig)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2225,2242,
igr2=2197,2198,2199,
&end
#
# 127 TYR HD2 51 ALA MB 5.50 (# 453:20 Unique 3.05, 5.35 A)
&rst
ixpk= 453, nxpk= 20, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 745, 746, 747,
&end
#
# 48 THR HN 51 ALA MB 5.50 (# 454:20 Unique 2.42, 3.38 A)
&rst
ixpk= 454, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 745, 746, 747,
&end
#
# 52 VAL HN 51 ALA MB 4.50 (# 455:20 Unique 2.40, 3.25 A)
&rst
ixpk= 455, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 745, 746, 747,
&end
#
# 51 ALA HN 51 ALA MB 4.50 (# 456:20 Unique 2.41, 2.89 A)
&rst
ixpk= 456, nxpk= 20, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 745, 746, 747,
&end
#
# 127 TYR QD 51 ALA MB 4.50 (# 457:20 Unique 2.90, 5.32 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1929,1938,
igr2= 745, 746, 747,
&end
#
# 124 ILE HN 124 ILE QG2 4.50 (# 459:20 Unique 2.02, 3.01 A)
&rst
ixpk= 459, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1877,1878,1879,
&end
#
# 125 ASP HN 124 ILE QG2 3.50 (# 460:20 Unique 2.57, 3.22 A)
&rst
ixpk= 460, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1877,1878,1879,
&end
#
# 0 AMB 20-2:461 92 ALA MB 3.00 (# 461:20 Single Ambig)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1386,1451,
igr2=1390,1391,1392,
&end
#
# 93 SER HN 92 ALA MB 3.50 (# 462:20 Unique 2.53, 3.45 A)
&rst
ixpk= 462, nxpk= 20, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1390,1391,1392,
&end
#
# 112 SER HN 112 SER HB- 5.50 (# 463:20 Unique 2.52, 3.27 A)
&rst
ixpk= 463, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 24 ILE HN 24 ILE HA 5.50 (# 464:20 Unique 2.85, 2.87 A)
&rst
ixpk= 464, nxpk= 20, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE HN 60 ILE QG2 5.50 (# 465:20 Unique 4.27, 4.68 A)
&rst
ixpk= 465, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 891, 892, 893,
&end
#
# 61 ALA HN 60 ILE QG2 4.50 (# 466:20 Unique 3.92, 4.77 A)
&rst
ixpk= 466, nxpk= 20, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 891, 892, 893,
&end
#
# 25 ALA HN 24 ILE QG2 5.50 (# 467:20 Unique 3.44, 4.35 A)
&rst
ixpk= 467, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 357, 358, 359,
&end
#
# 142 ALA HN 24 ILE QG2 7.00 (# 468:20 Unique 3.86, 4.75 A)
&rst
ixpk= 468, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 357, 358, 359,
&end
#
# 91 ILE HN 90 ILE QG2 5.50 (# 469:20 Unique 3.60, 4.39 A)
&rst
ixpk= 469, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 0 AMB 20-2:470 24 ILE QG2 4.50 (# 470:20 Single Ambig)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 351, 441,
igr2= 357, 358, 359,
&end
#
# 0 AMB 20-2:471 90 ILE QG2 5.50 (# 471:20 Single Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1348, 572,
igr2=1354,1355,1356,
&end
#
# 40 PHE QD 90 ILE QG2 3.80 (# 472:20 Unique 3.50, 6.18 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 596, 604,
igr2=1354,1355,1356,
&end
#
# 0 AMB 20-2:473 0 AMB 20-1:473 5.50 (# 473:20 Double Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 306, 314,1419,1420,1287,1288,
igr2= 357, 358, 359,1354,1355,1356,
&end
#
# 2 ASP HN 1 MET HE 5.50 (# 474:20 Unique 3.52, 4.97 A)
&rst
ixpk= 474, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 79 LEU HN 1 MET HE 5.50 (# 475:20 Unique 4.27, 5.65 A)
&rst
ixpk= 475, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 123 SER HN 126 ILE QG2 5.50 (# 477:20 Unique 4.52, 5.19 A)
&rst
ixpk= 477, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1908,1909,1910,
&end
#
# 0 AMB 20-2:478 126 ILE QG2 4.50 (# 478:20 Single Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1921,1964,
igr2=1908,1909,1910,
&end
#
# 126 ILE HN 126 ILE QG2 4.50 (# 479:20 Unique 4.46, 4.57 A)
&rst
ixpk= 479, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1908,1909,1910,
&end
#
# 25 ALA HN 25 ALA MB 3.00 (# 480:20 Unique 2.50, 2.90 A)
&rst
ixpk= 480, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 374, 375, 376,
&end
#
# 0 AMB 20-2:481 25 ALA MB 4.50 (# 481:20 Single Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 441, 351,
igr2= 374, 375, 376,
&end
#
# 26 GLU HN 25 ALA MB 3.50 (# 482:20 Unique 2.65, 3.48 A)
&rst
ixpk= 482, nxpk= 20, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 374, 375, 376,
&end
#
# 21 PHE HD2 25 ALA MB 5.50 (# 483:20 Unique 2.99, 4.09 A)
&rst
ixpk= 483, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 374, 375, 376,
&end
#
# 21 PHE QE 25 ALA MB 5.50 (# 484:20 Unique 2.65, 5.25 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 312,
igr2= 374, 375, 376,
&end
#
# 54 ALA HN 54 ALA MB 3.50 (# 485:20 Unique 2.47, 2.89 A)
&rst
ixpk= 485, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 786, 787, 788,
&end
#
# 55 LEU HN 54 ALA MB 5.50 (# 486:20 Unique 2.51, 3.39 A)
&rst
ixpk= 486, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:487 4 ILE QG2 4.50 (# 487:20 Single Ambig)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 555, 544,
igr2= 58, 59, 60,
&end
#
# 5 PHE HN 4 ILE QG2 4.50 (# 488:20 Unique 3.18, 3.83 A)
&rst
ixpk= 488, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 58, 59, 60,
&end
#
# 36 SER HA 4 ILE QG2 4.50 (# 489:20 Unique 2.77, 3.97 A)
&rst
ixpk= 489, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 58, 59, 60,
&end
#
# 18 GLU HN 17 ALA MB 4.50 (# 490:20 Unique 2.60, 3.46 A)
&rst
ixpk= 490, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 248, 249, 250,
&end
#
# 17 ALA HN 17 ALA MB 3.50 (# 491:20 Unique 2.48, 2.90 A)
&rst
ixpk= 491, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 248, 249, 250,
&end
#
# 0 AMB 20-2:492 17 ALA MB 4.50 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 79, 87, 227,
igr2= 248, 249, 250,
&end
#
# 0 AMB 20-2:493 3 ILE QG2 5.50 (# 493:20 Single Ambig)
&rst
ixpk= 493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 33,1570,
igr2= 39, 40, 41,
&end
#
# 4 ILE HN 3 ILE QG2 4.50 (# 494:20 Unique 2.60, 3.46 A)
&rst
ixpk= 494, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 39, 40, 41,
&end
#
# 0 AMB 20-2:495 3 ILE QG2 5.50 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 79, 87, 306, 314,
igr2= 39, 40, 41,
&end
#
# 108 TYR QE 3 ILE QG2 5.50 (# 496:20 Unique 5.63, 7.31 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2= 39, 40, 41,
&end
#
# 131 ARG HN 16 MET HE1 4.50 (# 497:20 Unique 3.40, 4.22 A)
&rst
ixpk= 497, nxpk= 20, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 238, 239, 240,
&end
#
# 130 THR HN 16 MET HE1 5.50 (# 498:20 Unique 4.81, 5.87 A)
&rst
ixpk= 498, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:499 16 MET HE1 7.00 (# 499:20 Single Ambig)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 244,2031,
igr2= 238, 239, 240,
&end
#
# 127 TYR HD2 16 MET HE1 5.50 (# 500:20 Unique 2.62, 5.17 A)
&rst
ixpk= 500, nxpk= 20, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 127 TYR QD 16 MET HE1 5.50 (# 501:20 Unique 2.20, 5.20 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1929,1938,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:502 16 MET HE1 7.00 (# 502:20 Single Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 782,2046,
igr2= 238, 239, 240,
&end
#
# 16 MET HN 16 MET HE1 5.50 (# 503:20 Unique 5.11, 5.84 A)
&rst
ixpk= 503, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:504 24 ILE QD1 5.50 (# 504:20 Single Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 298,2114,
igr2= 364, 365, 366,
&end
#
# 139 ARG HN 24 ILE QD1 5.50 (# 505:20 Unique 2.98, 3.79 A)
&rst
ixpk= 505, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 364, 365, 366,
&end
#
# 24 ILE HN 24 ILE QD1 5.50 (# 506:20 Unique 3.70, 4.52 A)
&rst
ixpk= 506, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-2:507 24 ILE QD1 5.50 (# 507:20 Single Ambig)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2157, 314,
igr2= 364, 365, 366,
&end
#
# 95 PHE QD 74 MET HE 4.50 (# 508:20 Unique 2.15, 4.84 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1432,1440,
igr2=1109,1110,1111,
&end
#
# 98 TYR HN 74 MET HE 5.50 (# 509:20 Unique 4.50, 5.55 A)
&rst
ixpk= 509, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:510 74 MET HE 4.50 (# 510:20 Single Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1434,1438,1483,1492,
igr2=1109,1110,1111,
&end
#
# 98 TYR HA 74 MET HE 5.50 (# 511:20 Unique 4.84, 5.54 A)
&rst
ixpk= 511, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 95 PHE HD2 74 MET HE 5.50 (# 512:20 Unique 5.53, 6.69 A)
&rst
ixpk= 512, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 74 MET HN 74 MET HE 5.50 (# 513:20 Unique 5.32, 6.21 A)
&rst
ixpk= 513, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 91 ILE HN 91 ILE QD1 4.50 (# 514:20 Unique 3.42, 4.20 A)
&rst
ixpk= 514, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:515 124 ILE QD1 4.50 (# 515:20 Single Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 782, 767,1871,
igr2=1884,1885,1886,
&end
#
# 0 AMB 20-2:516 124 ILE QD1 5.50 (# 516:20 Single Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1921,1890,1964,
igr2=1884,1885,1886,
&end
#
# 0 AMB 20-2:517 3 ILE QD1 4.50 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 308, 312, 81, 85,
igr2= 46, 47, 48,
&end
#
# 0 AMB 20-2:519 3 ILE QD1 5.50 (# 519:20 Single Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 33, 504,
igr2= 46, 47, 48,
&end
#
# 21 PHE HD2 3 ILE QD1 5.50 (# 520:20 Unique 3.74, 4.62 A)
&rst
ixpk= 520, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 46, 47, 48,
&end
#
# 21 PHE QD 3 ILE QD1 5.50 (# 521:20 Unique 3.74, 5.43 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 314,
igr2= 46, 47, 48,
&end
#
# 135 GLU HN 135 GLU HA 5.50 (# 522:20 Unique 2.82, 2.84 A)
&rst
ixpk= 522, nxpk= 20, iat=2065,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE HN 90 ILE QD1 4.50 (# 523:20 Unique 3.56, 4.27 A)
&rst
ixpk= 523, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1361,1362,1363,
&end
#
# 40 PHE QD 90 ILE QD1 3.80 (# 524:20 Unique 3.19, 6.52 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 596, 604,
igr2=1361,1362,1363,
&end
#
# 87 HIS HD2 90 ILE QD1 6.00 (# 525:20 Unique 2.43, 5.30 A)
&rst
ixpk= 525, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1361,1362,1363,
&end
#
# 60 ILE HN 60 ILE QD1 5.50 (# 526:20 Unique 4.16, 4.91 A)
&rst
ixpk= 526, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 95 PHE HD2 71 GLU HA 5.50 (# 527:20 Unique 3.73, 3.84 A)
&rst
ixpk= 527, nxpk= 20, iat=1440,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLU HN 75 GLU HA 5.50 (# 528:20 Unique 2.87, 2.89 A)
&rst
ixpk= 528, nxpk= 20, iat=1115,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HN 126 ILE QD1 5.50 (# 530:20 Unique 3.13, 3.96 A)
&rst
ixpk= 530, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1915,1916,1917,
&end
#
# 25 ALA HN 25 ALA HA 5.50 (# 531:20 Unique 2.83, 2.83 A)
&rst
ixpk= 531, nxpk= 20, iat= 370, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HN 25 ALA HA 5.50 (# 532:20 Unique 2.93, 3.08 A)
&rst
ixpk= 532, nxpk= 20, iat= 441, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HA 68 PRO HD- 4.50 (# 533:20 Unique 2.39, 2.51 A)
&rst
ixpk= 533, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1003,1004,
&end
#
# 79 LEU HN 79 LEU HB+ 4.50 (# 534:20 Unique 2.67, 2.94 A)
&rst
ixpk= 534, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1167,1168,
&end
#
# 124 ILE HN 123 SER HB+ 5.50 (# 544:20 Unique 2.38, 3.08 A)
&rst
ixpk= 544, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 0 AMB 20-2:545 0 AMB 20-1:545 5.50 (# 545:20 Double Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1141,1929,
igr2=1134,1135,1923,
&end
#
# 76 SER HN 76 SER HB+ 5.50 (# 546:20 Unique 2.52, 3.07 A)
&rst
ixpk= 546, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1134,1135,
&end
#
# 109 VAL HN 109 VAL HA 5.50 (# 547:20 Unique 2.89, 2.95 A)
&rst
ixpk= 547, nxpk= 20, iat=1681,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 SER HN 42 SER HB+ 3.50 (# 548:20 Unique 2.57, 3.25 A)
&rst
ixpk= 548, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 622, 623,
&end
#
# 94 GLN HN 93 SER HB+ 4.50 (# 549:20 Unique 2.75, 3.38 A)
&rst
ixpk= 549, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1400,1401,
&end
#
# 93 SER HN 93 SER HB+ 3.50 (# 550:20 Unique 2.49, 3.07 A)
&rst
ixpk= 550, nxpk= 20, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1400,1401,
&end
#
# 24 ILE HN 23 SER HB+ 5.50 (# 551:20 Unique 2.67, 3.33 A)
&rst
ixpk= 551, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 344, 345,
&end
#
# 23 SER HN 23 SER HB+ 4.50 (# 552:20 Unique 2.55, 3.09 A)
&rst
ixpk= 552, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:555 126 ILE HA 5.50 (# 555:20 Single Ambig)
&rst
ixpk= 555, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1964,1921,
&end
#
# 117 LEU HN 116 VAL HA 4.50 (# 556:20 Unique 2.41, 2.62 A)
&rst
ixpk= 556, nxpk= 20, iat=1781,1767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HN 110 THR HA 5.50 (# 557:20 Unique 2.86, 2.96 A)
&rst
ixpk= 557, nxpk= 20, iat=1697,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HD2 21 PHE HA 4.50 (# 558:20 Unique 3.90, 3.98 A)
&rst
ixpk= 558, nxpk= 20, iat= 314, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HN 56 PHE HA 5.50 (# 559:20 Unique 2.88, 2.89 A)
&rst
ixpk= 559, nxpk= 20, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:560 56 PHE HA 5.50 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 885, 831,
&end
#
# 56 PHE QE 56 PHE HA 5.50 (# 561:20 Unique 4.44, 5.18 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 821, 825,
&end
#
# 0 AMB 20-2:562 23 SER HA 5.50 (# 562:20 Single Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 380, 395,
&end
#
# 23 SER HN 23 SER HA 4.50 (# 563:20 Unique 2.83, 2.83 A)
&rst
ixpk= 563, nxpk= 20, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:564 80 VAL HA 3.50 (# 564:20 Single Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1198,1182,
&end
#
# 22 LYS HN 22 LYS HA 4.50 (# 565:20 Unique 2.84, 2.85 A)
&rst
ixpk= 565, nxpk= 20, iat= 318, 320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 GLN HN 93 SER HA 5.50 (# 566:20 Unique 3.55, 3.58 A)
&rst
ixpk= 566, nxpk= 20, iat=1407,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 SER HN 93 SER HA 5.50 (# 567:20 Unique 2.85, 2.86 A)
&rst
ixpk= 567, nxpk= 20, iat=1396,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 ARG HN 139 ARG HA 5.50 (# 568:20 Unique 2.85, 2.87 A)
&rst
ixpk= 568, nxpk= 20, iat=2133,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HN 65 VAL HA 3.50 (# 569:20 Unique 2.10, 2.14 A)
&rst
ixpk= 569, nxpk= 20, iat= 980, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLU HN 72 GLU HA 4.50 (# 570:20 Unique 2.84, 2.84 A)
&rst
ixpk= 570, nxpk= 20, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ALA HN 60 ILE HA 4.50 (# 571:20 Unique 3.48, 3.51 A)
&rst
ixpk= 571, nxpk= 20, iat= 904, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLU HN 0 AMB 20-1:572 4.50 (# 572:20 Single Ambig)
&rst
ixpk= 572, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2033,1966,
&end
#
# 76 SER HN 76 SER HA 5.50 (# 573:20 Unique 2.85, 2.87 A)
&rst
ixpk= 573, nxpk= 20, iat=1130,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 4.50 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 767, 811,2046, 782,
igr2= 769,2033,
&end
#
# 129 GLN HN 129 GLN HA 4.50 (# 575:20 Unique 2.85, 2.86 A)
&rst
ixpk= 575, nxpk= 20, iat=1964,1966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 LYS HN 143 LYS HA 5.50 (# 576:20 Unique 2.84, 2.87 A)
&rst
ixpk= 576, nxpk= 20, iat=2203,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLN HN 143 LYS HA 5.50 (# 577:20 Unique 3.56, 3.57 A)
&rst
ixpk= 577, nxpk= 20, iat=2225,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HN 99 ARG HA 4.50 (# 578:20 Unique 2.87, 2.90 A)
&rst
ixpk= 578, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:579 0 AMB 20-1:579 4.50 (# 579:20 Double Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 434, 792,
igr2= 397, 769,
&end
#
# 5 PHE QD 18 GLU HA 5.50 (# 580:20 Unique 2.73, 4.56 A)
&rst
ixpk= 580, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 87,
&end
#
# 0 AMB 20-2:581 0 AMB 20-1:581 4.50 (# 581:20 Double Ambig)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2157,1976,1977,
igr2=2159,1966,
&end
#
# 27 ARG HN 27 ARG HA 3.50 (# 582:20 Unique 2.86, 2.87 A)
&rst
ixpk= 582, nxpk= 20, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 SER HN 66 SER HA 4.50 (# 583:20 Unique 2.35, 2.40 A)
&rst
ixpk= 583, nxpk= 20, iat= 991, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLU HN 27 ARG HA 4.50 (# 584:20 Unique 3.50, 3.53 A)
&rst
ixpk= 584, nxpk= 20, iat= 419, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:585 0 AMB 20-1:585 5.50 (# 585:20 Double Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1645,1348,1729,
igr2=1647,1294,
&end
#
# 0 AMB 20-2:586 0 AMB 20-1:586 5.50 (# 586:20 Double Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1718,1292,
igr2=1647,1294,
&end
#
# 144 GLN HN 144 GLN HA 3.50 (# 587:20 Unique 2.82, 2.84 A)
&rst
ixpk= 587, nxpk= 20, iat=2225,2227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLN HN 89 GLN HA 4.50 (# 588:20 Unique 2.85, 2.85 A)
&rst
ixpk= 588, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 LEU HN 105 LEU HA 5.50 (# 589:20 Unique 2.70, 2.73 A)
&rst
ixpk= 589, nxpk= 20, iat=1604,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HN 57 GLU HA 5.50 (# 590:20 Unique 2.83, 2.86 A)
&rst
ixpk= 590, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS HN 146 LYS HA 3.50 (# 591:20 Unique 2.83, 2.87 A)
&rst
ixpk= 591, nxpk= 20, iat=2261,2263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HN 20 LEU HA 5.50 (# 592:20 Unique 2.86, 2.87 A)
&rst
ixpk= 592, nxpk= 20, iat= 279, 281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:593 125 ASP HA 4.50 (# 593:20 Single Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1890,1964,
&end
#
# 141 LEU HN 141 LEU HA 5.50 (# 594:20 Unique 2.77, 2.82 A)
&rst
ixpk= 594, nxpk= 20, iat=2174,2176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HN 94 GLN HA 5.50 (# 595:20 Unique 3.52, 3.56 A)
&rst
ixpk= 595, nxpk= 20, iat=1424,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLN HN 94 GLN HA 4.50 (# 596:20 Unique 2.90, 2.91 A)
&rst
ixpk= 596, nxpk= 20, iat=1407,1409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 GLU HN 132 ASP HA 5.50 (# 597:20 Unique 3.51, 3.55 A)
&rst
ixpk= 597, nxpk= 20, iat=2065,2021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 ASP HN 132 ASP HA 5.50 (# 598:20 Unique 2.85, 2.86 A)
&rst
ixpk= 598, nxpk= 20, iat=2019,2021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 ASP HN 147 LYS HA 5.50 (# 599:20 Unique 3.21, 3.57 A)
&rst
ixpk= 599, nxpk= 20, iat=2305,2285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 LYS HN 147 LYS HA 4.50 (# 600:20 Unique 2.79, 2.88 A)
&rst
ixpk= 600, nxpk= 20, iat=2283,2285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 ARG HN 150 ARG HA 4.50 (# 601:20 Unique 2.26, 2.72 A)
&rst
ixpk= 601, nxpk= 20, iat=2341,2343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:602 73 LEU HA 5.50 (# 602:20 Single Ambig)
&rst
ixpk= 602, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1079,1098,
&end
#
# 123 SER HN 123 SER HA 5.50 (# 603:20 Unique 2.91, 2.92 A)
&rst
ixpk= 603, nxpk= 20, iat=1860,1862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ILE HN 123 SER HA 4.50 (# 604:20 Unique 2.48, 2.50 A)
&rst
ixpk= 604, nxpk= 20, iat=1871,1862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 SER HN 112 SER HA 2.90 (# 605:20 Unique 2.81, 2.96 A)
&rst
ixpk= 605, nxpk= 20, iat=1718,1720, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB 20-2:606 50 HIS HA 5.50 (# 606:20 Single Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 767, 782,
&end
#
# 141 LEU HN 138 LEU HA 5.50 (# 607:20 Unique 2.74, 2.82 A)
&rst
ixpk= 607, nxpk= 20, iat=2174,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS HN 145 LEU HA 5.50 (# 608:20 Unique 3.53, 3.59 A)
&rst
ixpk= 608, nxpk= 20, iat=2261,2244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LEU HN 145 LEU HA 4.50 (# 609:20 Unique 2.79, 2.85 A)
&rst
ixpk= 609, nxpk= 20, iat=2242,2244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 LEU HN 117 LEU HA 5.50 (# 610:20 Unique 2.23, 2.79 A)
&rst
ixpk= 610, nxpk= 20, iat=1781,1783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ASP HN 117 LEU HA 4.50 (# 611:20 Unique 2.18, 2.33 A)
&rst
ixpk= 611, nxpk= 20, iat=1800,1783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 HIS HN 59 HIS HA 3.50 (# 612:20 Unique 2.19, 2.20 A)
&rst
ixpk= 612, nxpk= 20, iat= 868, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ILE HN 59 HIS HA 5.50 (# 613:20 Unique 2.51, 2.56 A)
&rst
ixpk= 613, nxpk= 20, iat= 885, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 ARG HN 149 ARG HA 3.50 (# 614:20 Unique 2.15, 3.00 A)
&rst
ixpk= 614, nxpk= 20, iat=2341,2319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 PHE QE 101 LYS HA 5.50 (# 615:20 Unique 2.40, 4.99 A)
&rst
ixpk= 615, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1580,1584,
&end
#
# 100 ASP HN 100 ASP HA 4.50 (# 616:20 Unique 2.75, 2.78 A)
&rst
ixpk= 616, nxpk= 20, iat=1520,1522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LYS HN 100 ASP HA 5.50 (# 617:20 Unique 3.52, 3.57 A)
&rst
ixpk= 617, nxpk= 20, iat=1532,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY HN 28 GLU HA 5.50 (# 618:20 Unique 3.47, 3.50 A)
&rst
ixpk= 618, nxpk= 20, iat= 434, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE QE 142 ALA HA 5.50 (# 619:20 Unique 2.72, 3.83 A)
&rst
ixpk= 619, nxpk= 20, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 308, 312,
&end
#
# 21 PHE QD 142 ALA HA 5.50 (# 620:20 Unique 5.12, 5.93 A)
&rst
ixpk= 620, nxpk= 20, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 314,
&end
#
# 142 ALA HN 142 ALA HA 4.50 (# 621:20 Unique 2.84, 2.85 A)
&rst
ixpk= 621, nxpk= 20, iat=2193,2195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ALA HN 19 ALA HA 4.50 (# 622:20 Unique 2.84, 2.85 A)
&rst
ixpk= 622, nxpk= 20, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:623 0 AMB 20-1:623 4.50 (# 623:20 Double Ambig)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 139, 782,
igr2= 141, 784,
&end
#
# 0 AMB 20-2:624 92 ALA HA 5.50 (# 624:20 Single Ambig)
&rst
ixpk= 624, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1386,1451,
&end
#
# 93 SER HN 92 ALA HA 5.50 (# 625:20 Unique 3.55, 3.55 A)
&rst
ixpk= 625, nxpk= 20, iat=1396,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:626 148 ASP HA 4.50 (# 626:20 Single Ambig)
&rst
ixpk= 626, nxpk= 20, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2317,2305,
&end
#
# 80 VAL HN 79 LEU HA 4.50 (# 627:20 Unique 2.22, 2.26 A)
&rst
ixpk= 627, nxpk= 20, iat=1182,1165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASN HN 44 ASN HA 5.50 (# 628:20 Unique 2.19, 2.73 A)
&rst
ixpk= 628, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HN 30 LEU HA 4.50 (# 629:20 Unique 2.93, 2.95 A)
&rst
ixpk= 629, nxpk= 20, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 LYS HN 58 LYS HA 5.50 (# 630:20 Unique 2.87, 2.89 A)
&rst
ixpk= 630, nxpk= 20, iat= 846, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASP HN 77 ALA HA 4.50 (# 631:20 Unique 2.42, 2.50 A)
&rst
ixpk= 631, nxpk= 20, iat=1151,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ALA HN 77 ALA HA 5.50 (# 632:20 Unique 2.87, 2.90 A)
&rst
ixpk= 632, nxpk= 20, iat=1141,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HN 61 ALA HA 3.50 (# 634:20 Unique 2.35, 2.41 A)
&rst
ixpk= 634, nxpk= 20, iat= 914, 906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:635 37 ALA HA 5.50 (# 635:20 Single Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 565, 555,
&end
#
# 30 LEU HN 29 GLY HA+ 5.50 (# 638:20 Unique 3.57, 7.61 A)
&rst
ixpk= 638, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 436, 437,
&end
#
# 30 LEU HN 29 GLY HA- 5.50 (# 639:20 Unique 3.57, 7.61 A)
&rst
ixpk= 639, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 436, 437,
&end
#
# 104 THR MG2 104 THR HA 4.50 (# 647:20 Unique 2.30, 2.93 A)
&rst
ixpk= 647, nxpk= 20, iat= -1,1592, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1596,1597,1598,
&end
#
# 6 VAL MG2 6 VAL HA 4.50 (# 648:20 Unique 2.53, 3.26 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 101, 102, 103,
&end
#
# 0 AMB 20-2:649 6 VAL HA 4.50 (# 649:20 Single Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 97, 98, 99, 582, 583, 584,
&end
#
# 34 VAL MG1 34 VAL HA 4.50 (# 650:20 Unique 2.52, 3.26 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 510, 511, 512,
&end
#
# 84 THR MG2 84 THR HA 4.50 (# 651:20 Unique 2.40, 3.23 A)
&rst
ixpk= 651, nxpk= 20, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1250,1251,1252,
&end
#
# 4 ILE QG2 36 SER HA 4.50 (# 652:20 Unique 2.77, 3.97 A)
&rst
ixpk= 652, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 34 VAL MG1 33 ASN HA 5.50 (# 653:20 Unique 3.83, 4.77 A)
&rst
ixpk= 653, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 510, 511, 512,
&end
#
# 6 VAL MG1 82 ALA HA 5.50 (# 655:20 Unique 2.08, 3.05 A)
&rst
ixpk= 655, nxpk= 20, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 97, 98, 99,
&end
#
# 5 PHE HB+ 5 PHE HA 5.50 (# 656:20 Unique 2.49, 2.79 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 40 PHE HB- 40 PHE HA 5.50 (# 657:20 Unique 2.43, 2.75 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 33 ASN HB+ 2 ASP HA 3.50 (# 658:20 Unique 2.49, 3.41 A)
&rst
ixpk= 658, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 494, 495,
&end
#
# 78 ASP HB- 2 ASP HA 4.80 (# 659:20 Unique 4.78, 5.20 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1155,1156,
&end
#
# 33 ASN HB+ 33 ASN HA 3.50 (# 660:20 Unique 2.50, 2.80 A)
&rst
ixpk= 660, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 494, 495,
&end
#
# 63 ASN HB+ 63 ASN HA 5.50 (# 661:20 Unique 2.53, 2.84 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 938,
&end
#
# 63 ASN HB- 63 ASN HA 5.50 (# 662:20 Unique 2.53, 2.84 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 938,
&end
#
# 84 THR MG2 84 THR HB 5.50 (# 664:20 Unique 2.42, 2.65 A)
&rst
ixpk= 664, nxpk= 20, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1250,1251,1252,
&end
#
# 110 THR MG2 110 THR HB 3.50 (# 665:20 Unique 2.40, 2.66 A)
&rst
ixpk= 665, nxpk= 20, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1703,1704,1705,
&end
#
# 17 ALA MB 14 SER HA 4.50 (# 668:20 Unique 2.82, 3.72 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 248, 249, 250,
&end
#
# 41 ALA MB 66 SER HB+ 4.50 (# 669:20 Unique 2.18, 3.85 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 612, 613, 614,
igr2= 984, 985,
&end
#
# 109 VAL HB 109 VAL HA 5.50 (# 670:20 Unique 3.03, 3.03 A)
&rst
ixpk= 670, nxpk= 20, iat=1685,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL MG2 109 VAL HA 3.50 (# 671:20 Unique 2.52, 3.23 A)
&rst
ixpk= 671, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1691,1692,1693,
&end
#
# 109 VAL MG1 109 VAL HA 3.50 (# 672:20 Unique 2.42, 3.06 A)
&rst
ixpk= 672, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1687,1688,1689,
&end
#
# 0 AMB 20-2:673 39 VAL HA 4.50 (# 673:20 Single Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 576,1020,1021,
&end
#
# 0 AMB 20-2:674 39 VAL HA 5.50 (# 674:20 Single Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1020,1021, 101, 102, 103,
&end
#
# 39 VAL MG2 39 VAL HA 4.50 (# 675:20 Unique 2.59, 3.48 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 582, 583, 584,
&end
#
# 0 AMB 20-2:676 0 AMB 20-1:676 5.50 (# 676:20 Double Ambig)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1083,1084, 612, 613, 614,
igr2=1134,1135, 622, 623,
&end
#
# 39 VAL MG1 39 VAL HA 4.50 (# 677:20 Unique 2.37, 3.01 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 578, 579, 580,
&end
#
# 43 PRO HB+ 43 PRO HA 4.50 (# 678:20 Unique 2.33, 2.68 A)
&rst
ixpk= 678, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 636, 637,
&end
#
# 43 PRO HB- 43 PRO HA 4.50 (# 679:20 Unique 2.33, 2.68 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 636, 637,
&end
#
# 92 ALA MB 93 SER HB+ 5.50 (# 680:20 Unique 4.63, 6.16 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1390,1391,1392,
igr2=1400,1401,
&end
#
# 0 AMB 20-2:681 0 AMB 20-1:681 5.50 (# 681:20 Double Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1414,1415,1335,1336,
igr2=1400,1401,1400,1401,
&end
#
# 90 ILE HG1- 93 SER HB+ 5.50 (# 683:20 Unique 4.57, 5.62 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1358,1359,
igr2=1400,1401,
&end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 3.50 (# 684:20 Double Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1915,1916,1917, 898, 899, 900,
igr2=1904, 344, 345,
&end
#
# 0 AMB 20-2:685 0 AMB 20-1:685 4.50 (# 685:20 Double Ambig)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1=1908,1909,1910, 895, 896, 361, 362,
igr2=1904, 344, 345, 344, 345,
&end
#
# 0 AMB 20-2:686 126 ILE HA 4.50 (# 686:20 Single Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1968,1969,1906,
&end
#
# 11 THR MG2 11 THR HA 4.50 (# 687:20 Unique 2.35, 3.00 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 159, 160, 161,
&end
#
# 129 GLN HB- 126 ILE HA 4.50 (# 688:20 Unique 2.60, 3.58 A)
&rst
ixpk= 688, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1968,1969,
&end
#
# 116 VAL MG2 116 VAL HA 4.50 (# 689:20 Unique 2.52, 3.26 A)
&rst
ixpk= 689, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1775,1776,1777,
&end
#
# 116 VAL MG1 116 VAL HA 4.50 (# 690:20 Unique 2.50, 3.18 A)
&rst
ixpk= 690, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1771,1772,1773,
&end
#
# 119 PRO HB+ 119 PRO HA 4.50 (# 691:20 Unique 2.34, 2.53 A)
&rst
ixpk= 691, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1819,1820,
&end
#
# 126 ILE QG2 119 PRO HA 3.50 (# 692:20 Unique 2.07, 2.66 A)
&rst
ixpk= 692, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1908,1909,1910,
&end
#
# 119 PRO HB- 119 PRO HA 5.50 (# 693:20 Unique 2.34, 2.53 A)
&rst
ixpk= 693, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1819,1820,
&end
#
# 137 LEU MD1 106 LYS HA 4.50 (# 694:20 Unique 2.83, 4.03 A)
&rst
ixpk= 694, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2104,2105,2106,
&end
#
# 106 LYS HB+ 106 LYS HA 4.50 (# 695:20 Unique 2.49, 2.78 A)
&rst
ixpk= 695, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1627,1628,
&end
#
# 0 AMB 20-2:696 106 LYS HA 3.50 (# 696:20 Single Ambig)
&rst
ixpk= 696, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1630,1631,1703,1704,1705,1691,1692,1693,
&end
#
# 0 AMB 20-2:697 21 PHE HA 4.50 (# 697:20 Single Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 355,2118,2119,
&end
#
# 0 AMB 20-2:698 21 PHE HA 3.50 (# 698:20 Single Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 364, 365, 366, 357, 358, 359,2123,2124,2125,
&end
#
# 26 GLU HB+ 23 SER HA 4.50 (# 699:20 Unique 2.61, 3.23 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 385,
&end
#
# 104 THR MG2 85 HIS HA 4.50 (# 701:20 Unique 2.72, 3.70 A)
&rst
ixpk= 701, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1596,1597,1598,
&end
#
# 0 AMB 20-2:702 80 VAL HA 3.50 (# 702:20 Single Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1188,1189,1190, 97, 98, 99,
&end
#
# 80 VAL MG2 80 VAL HA 3.50 (# 703:20 Unique 2.49, 3.17 A)
&rst
ixpk= 703, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1192,1193,1194,
&end
#
# 88 LYS HB- 85 HIS HA 4.50 (# 704:20 Unique 2.19, 2.76 A)
&rst
ixpk= 704, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,
&end
#
# 0 AMB 20-2:705 22 LYS HA 3.50 (# 705:20 Single Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 322, 323, 322, 323,
&end
#
# 22 LYS HG- 22 LYS HA 4.50 (# 706:20 Unique 2.33, 2.63 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 22 LYS HG+ 22 LYS HA 4.50 (# 707:20 Unique 2.33, 2.63 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 0 AMB 20-2:708 0 AMB 20-1:708 5.50 (# 708:20 Double Ambig)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1316,1317, 510, 511, 512,
igr2=1260, 320,
&end
#
# 25 ALA MB 22 LYS HA 4.50 (# 709:20 Unique 2.58, 3.51 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 374, 375, 376,
&end
#
# 48 THR MG2 48 THR HA 4.50 (# 710:20 Unique 2.55, 3.29 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 702, 703, 704,
&end
#
# 139 ARG HB- 139 ARG HA 4.50 (# 711:20 Unique 2.49, 2.80 A)
&rst
ixpk= 711, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2137,2138,
&end
#
# 139 ARG HG+ 139 ARG HA 4.50 (# 712:20 Unique 2.30, 2.75 A)
&rst
ixpk= 712, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2140,2141,
&end
#
# 0 AMB 20-2:713 139 ARG HA 4.50 (# 713:20 Single Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2197,2198,2199,2210,2211,
&end
#
# 0 AMB 20-2:714 139 ARG HA 3.00 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 357, 358, 359, 364, 365, 366,
&end
#
# 65 VAL MG2 65 VAL HA 4.50 (# 715:20 Unique 2.53, 3.19 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 974, 975, 976,
&end
#
# 0 AMB 20-2:716 65 VAL HA 4.50 (# 716:20 Single Ambig)
&rst
ixpk= 716, nxpk= 20, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 668, 669, 968,
&end
#
# 65 VAL MG1 65 VAL HA 4.50 (# 717:20 Unique 2.44, 3.12 A)
&rst
ixpk= 717, nxpk= 20, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 970, 971, 972,
&end
#
# 0 AMB 20-2:718 139 ARG HA 3.50 (# 718:20 Single Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2140,2141,2137,2138,
&end
#
# 16 MET HE1 16 MET HA 4.50 (# 719:20 Unique 4.44, 5.13 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 238, 239, 240,
&end
#
# 0 AMB 20-2:720 16 MET HA 3.50 (# 720:20 Single Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 234, 235, 801, 802, 803,
&end
#
# 61 ALA MB 60 ILE HA 5.50 (# 721:20 Unique 4.49, 5.16 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 908, 909, 910,
&end
#
# 60 ILE QG2 60 ILE HA 3.50 (# 722:20 Unique 2.45, 3.16 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 891, 892, 893,
&end
#
# 0 AMB 20-2:723 72 GLU HA 3.50 (# 723:20 Single Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1122,1123,1071,1072,
&end
#
# 72 GLU HB- 72 GLU HA 3.00 (# 724:20 Unique 2.40, 2.43 A)
&rst
ixpk= 724, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1068,1069,
&end
#
# 0 AMB 20-2:725 60 ILE HA 5.50 (# 725:20 Single Ambig)
&rst
ixpk= 725, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 895, 896, 889,
&end
#
# 60 ILE HG1+ 60 ILE HA 4.50 (# 726:20 Unique 2.44, 2.80 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 895, 896,
&end
#
# 0 AMB 20-2:727 72 GLU HA 3.00 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1068,1069,1119,1120,
&end
#
# 0 AMB 20-2:728 0 AMB 20-1:728 3.00 (# 728:20 Double Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 774, 775,2038,2039,2087,2088,2035,2036,
igr2= 769,2033,2082,
&end
#
# 0 AMB 20-2:729 143 LYS HA 3.00 (# 729:20 Single Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1,2205, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2265,2266,2207,2208,
&end
#
# 0 AMB 20-2:730 0 AMB 20-1:730 3.00 (# 730:20 Double Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 771, 772,2035,2036,2084,2085,2084,2085,
igr2= 769,2033,2082,
&end
#
# 0 AMB 20-2:731 0 AMB 20-1:731 4.50 (# 731:20 Double Ambig)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2023,2024,2023,2024,
igr2=1966,2033,
&end
#
# 0 AMB 20-2:732 143 LYS HA 3.50 (# 732:20 Single Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1,2205, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2213,2214,2210,2211,
&end
#
# 143 LYS HG- 143 LYS HA 4.50 (# 733:20 Unique 2.45, 2.98 A)
&rst
ixpk= 733, nxpk= 20, iat= -1,2205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2210,2211,
&end
#
# 0 AMB 20-2:734 0 AMB 20-1:734 4.50 (# 734:20 Double Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1503,1504, 325, 326,
igr2=1498, 256,
&end
#
# 102 VAL MG2 99 ARG HA 3.50 (# 735:20 Unique 2.17, 3.00 A)
&rst
ixpk= 735, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1564,1565,1566,
&end
#
# 0 AMB 20-2:736 0 AMB 20-1:736 4.50 (# 736:20 Double Ambig)
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1794,1795,1796,1884,1885,1886, 364, 365, 366,2104,
2105,2106,
igr2=1966, 769,2082,2033,
&end
#
# 0 AMB 20-2:737 0 AMB 20-1:737 3.50 (# 737:20 Double Ambig)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2164,2165,1971,1972,
igr2=2159,1966,
&end
#
# 0 AMB 20-2:738 0 AMB 20-1:738 3.50 (# 738:20 Double Ambig)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 514, 515, 516,1390,1391,1392,
igr2= 256,1498,
&end
#
# 0 AMB 20-2:739 0 AMB 20-1:739 3.50 (# 739:20 Double Ambig)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 258, 259,1500,1501,1558,
igr2= 256,1498,
&end
#
# 0 AMB 20-2:740 18 GLU HA 4.50 (# 740:20 Single Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 261, 262, 508,
&end
#
# 90 ILE QD1 87 HIS HA 4.50 (# 741:20 Unique 2.27, 3.49 A)
&rst
ixpk= 741, nxpk= 20, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1361,1362,1363,
&end
#
# 0 AMB 20-2:742 0 AMB 20-1:742 4.50 (# 742:20 Double Ambig)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 757, 758, 759,1687,1688,1689, 761, 762, 763,
igr2= 769,2159,
&end
#
# 0 AMB 20-2:743 87 HIS HA 3.50 (# 743:20 Single Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1352,1358,1359,1377,1378,
&end
#
# 27 ARG HB+ 27 ARG HA 3.00 (# 744:20 Unique 2.24, 2.63 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 399, 400,
&end
#
# 107 GLU HB+ 107 GLU HA 3.50 (# 745:20 Unique 2.42, 2.73 A)
&rst
ixpk= 745, nxpk= 20, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1649,1650,
&end
#
# 107 GLU HB- 107 GLU HA 4.50 (# 746:20 Unique 2.42, 2.73 A)
&rst
ixpk= 746, nxpk= 20, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1649,1650,
&end
#
# 27 ARG HG- 27 ARG HA 3.50 (# 747:20 Unique 3.10, 3.66 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 402, 403,
&end
#
# 147 LYS HB+ 144 GLN HA 3.50 (# 748:20 Unique 2.45, 3.40 A)
&rst
ixpk= 748, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2287,2288,
&end
#
# 147 LYS HD+ 144 GLN HA 5.50 (# 749:20 Unique 3.29, 5.07 A)
&rst
ixpk= 749, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2293,2294,
&end
#
# 0 AMB 20-2:750 144 GLN HA 3.00 (# 750:20 Single Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2232,2233,2229,2230,
&end
#
# 89 GLN HB- 89 GLN HA 3.00 (# 751:20 Unique 2.47, 2.80 A)
&rst
ixpk= 751, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1335,1336,
&end
#
# 89 GLN HG- 89 GLN HA 3.50 (# 752:20 Unique 2.55, 2.84 A)
&rst
ixpk= 752, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1338,1339,
&end
#
# 92 ALA MB 89 GLN HA 3.50 (# 753:20 Unique 2.55, 3.42 A)
&rst
ixpk= 753, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1390,1391,1392,
&end
#
# 57 GLU HG- 57 GLU HA 4.50 (# 754:20 Unique 2.40, 2.87 A)
&rst
ixpk= 754, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 57 GLU HB- 57 GLU HA 3.50 (# 755:20 Unique 2.48, 2.78 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 57 GLU HB+ 57 GLU HA 3.50 (# 756:20 Unique 2.48, 2.78 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 57 GLU HG+ 57 GLU HA 4.50 (# 757:20 Unique 2.40, 2.87 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 838, 839,
&end
#
# 105 LEU HB- 105 LEU HA 5.50 (# 758:20 Unique 2.43, 2.74 A)
&rst
ixpk= 758, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1608,1609,
&end
#
# 105 LEU MD1 105 LEU HA 3.50 (# 759:20 Unique 2.17, 2.91 A)
&rst
ixpk= 759, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1613,1614,1615,
&end
#
# 81 LEU HG 105 LEU HA 4.50 (# 760:20 Unique 4.38, 4.48 A)
&rst
ixpk= 760, nxpk= 20, iat=1205,1606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LYS HB+ 146 LYS HA 3.00 (# 762:20 Unique 2.61, 2.85 A)
&rst
ixpk= 762, nxpk= 20, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2265,2266,
&end
#
# 30 LEU MD1 146 LYS HA 4.50 (# 763:20 Unique 3.37, 4.99 A)
&rst
ixpk= 763, nxpk= 20, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 450, 451, 452,
&end
#
# 146 LYS HG- 146 LYS HA 3.50 (# 764:20 Unique 2.26, 2.63 A)
&rst
ixpk= 764, nxpk= 20, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2268,2269,
&end
#
# 0 AMB 20-2:765 0 AMB 20-1:765 3.50 (# 765:20 Double Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 796, 797,1503,1504, 799,
igr2= 794,1453,
&end
#
# 0 AMB 20-2:766 0 AMB 20-1:766 3.00 (# 766:20 Double Ambig)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1455,1456, 889, 786, 787, 788,
igr2=1453, 794,
&end
#
# 0 AMB 20-2:767 0 AMB 20-1:767 3.00 (# 767:20 Double Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 283, 284,1455,1456,
igr2= 281,1453,
&end
#
# 0 AMB 20-2:768 20 LEU HA 3.00 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 898, 899, 900, 286,
&end
#
# 134 LEU HG 134 LEU HA 4.50 (# 769:20 Unique 2.96, 3.04 A)
&rst
ixpk= 769, nxpk= 20, iat=2053,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 LEU MD1 134 LEU HA 3.00 (# 770:20 Unique 2.18, 3.04 A)
&rst
ixpk= 770, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2055,2056,2057,
&end
#
# 125 ASP HB+ 125 ASP HA 4.50 (# 771:20 Unique 2.41, 2.74 A)
&rst
ixpk= 771, nxpk= 20, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1894,1895,
&end
#
# 125 ASP HB- 125 ASP HA 4.50 (# 772:20 Unique 2.41, 2.74 A)
&rst
ixpk= 772, nxpk= 20, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1894,1895,
&end
#
# 0 AMB 20-2:773 0 AMB 20-1:773 4.50 (# 773:20 Double Ambig)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1946,1947,1234,1235,
igr2=1892, 109,
&end
#
# 109 VAL MG2 141 LEU HA 4.50 (# 775:20 Unique 2.87, 4.29 A)
&rst
ixpk= 775, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1691,1692,1693,
&end
#
# 0 AMB 20-2:776 141 LEU HA 4.50 (# 776:20 Single Ambig)
&rst
ixpk= 776, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2229,2230,2232,2233,
&end
#
# 141 LEU HB+ 141 LEU HA 5.50 (# 777:20 Unique 2.54, 2.83 A)
&rst
ixpk= 777, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2178,2179,
&end
#
# 144 GLN HB- 141 LEU HA 5.50 (# 778:20 Unique 2.38, 3.49 A)
&rst
ixpk= 778, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2229,2230,
&end
#
# 141 LEU HB- 141 LEU HA 3.50 (# 779:20 Unique 2.54, 2.83 A)
&rst
ixpk= 779, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2178,2179,
&end
#
# 109 VAL MG1 141 LEU HA 4.50 (# 780:20 Unique 2.94, 4.75 A)
&rst
ixpk= 780, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1687,1688,1689,
&end
#
# 0 AMB 20-2:781 0 AMB 20-1:781 3.00 (# 781:20 Double Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2183,2184,2185, 101, 102, 103,
igr2=2176, 109,
&end
#
# 0 AMB 20-2:782 137 LEU HA 4.50 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1691,1692,1693,1775,1776,1777,
&end
#
# 109 VAL MG1 137 LEU HA 4.50 (# 783:20 Unique 2.95, 4.25 A)
&rst
ixpk= 783, nxpk= 20, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1687,1688,1689,
&end
#
# 146 LYS HB- 146 LYS HA 3.00 (# 784:20 Unique 2.61, 2.85 A)
&rst
ixpk= 784, nxpk= 20, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2265,2266,
&end
#
# 146 LYS HG+ 146 LYS HA 3.50 (# 785:20 Unique 2.26, 2.63 A)
&rst
ixpk= 785, nxpk= 20, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2268,2269,
&end
#
# 94 GLN HG- 94 GLN HA 3.50 (# 786:20 Unique 3.77, 3.81 A)
&rst
ixpk= 786, nxpk= 20, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1414,1415,
&end
#
# 94 GLN HB- 94 GLN HA 3.50 (# 787:20 Unique 2.36, 2.39 A)
&rst
ixpk= 787, nxpk= 20, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1411,1412,
&end
#
# 134 LEU HB+ 134 LEU HA 5.50 (# 788:20 Unique 2.53, 2.80 A)
&rst
ixpk= 788, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2050,2051,
&end
#
# 94 GLN HG+ 94 GLN HA 4.50 (# 789:20 Unique 3.77, 3.81 A)
&rst
ixpk= 789, nxpk= 20, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1414,1415,
&end
#
# 94 GLN HB+ 94 GLN HA 3.50 (# 790:20 Unique 2.36, 2.39 A)
&rst
ixpk= 790, nxpk= 20, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1411,1412,
&end
#
# 132 ASP HB+ 132 ASP HA 3.50 (# 791:20 Unique 2.44, 2.75 A)
&rst
ixpk= 791, nxpk= 20, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2023,2024,
&end
#
# 135 GLU HB+ 132 ASP HA 3.50 (# 792:20 Unique 3.00, 3.45 A)
&rst
ixpk= 792, nxpk= 20, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2069,2070,
&end
#
# 73 LEU HB- 73 LEU HA 4.50 (# 793:20 Unique 2.44, 2.76 A)
&rst
ixpk= 793, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1083,1084,
&end
#
# 73 LEU MD2 73 LEU HA 5.50 (# 794:20 Unique 4.41, 4.71 A)
&rst
ixpk= 794, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1092,1093,1094,
&end
#
# 147 LYS HB+ 147 LYS HA 3.00 (# 795:20 Unique 2.48, 2.79 A)
&rst
ixpk= 795, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2287,2288,
&end
#
# 147 LYS HD+ 147 LYS HA 4.50 (# 796:20 Unique 4.24, 4.59 A)
&rst
ixpk= 796, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2293,2294,
&end
#
# 145 LEU HB- 147 LYS HA 7.00 (# 797:20 Unique 7.46, 7.76 A)
&rst
ixpk= 797, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2246,2247,
&end
#
# 150 ARG HB+ 150 ARG HA 3.00 (# 798:20 Unique 2.23, 2.63 A)
&rst
ixpk= 798, nxpk= 20, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2345,2346,
&end
#
# 150 ARG HB- 150 ARG HA 4.50 (# 799:20 Unique 2.23, 2.63 A)
&rst
ixpk= 799, nxpk= 20, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2345,2346,
&end
#
# 150 ARG HG+ 150 ARG HA 4.50 (# 800:20 Unique 2.43, 3.52 A)
&rst
ixpk= 800, nxpk= 20, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2348,2349,
&end
#
# 0 AMB 20-2:801 73 LEU HA 3.50 (# 801:20 Single Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1083,1084,1086,
&end
#
# 73 LEU MD1 73 LEU HA 3.50 (# 802:20 Unique 2.23, 3.02 A)
&rst
ixpk= 802, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1088,1089,1090,
&end
#
# 0 AMB 20-2:803 50 HIS HA 3.50 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 771, 772, 728,
&end
#
# 124 ILE QD1 50 HIS HA 4.50 (# 804:20 Unique 2.51, 3.74 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1884,1885,1886,
&end
#
# 53 GLU HB- 50 HIS HA 4.50 (# 805:20 Unique 2.19, 2.75 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 771, 772,
&end
#
# 141 LEU HB+ 138 LEU HA 4.50 (# 806:20 Unique 2.13, 2.68 A)
&rst
ixpk= 806, nxpk= 20, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2178,2179,
&end
#
# 0 AMB 20-2:807 138 LEU HA 4.50 (# 807:20 Single Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2127,2128,2129,2108,2109,2110,
&end
#
# 0 AMB 20-2:808 145 LEU HA 4.50 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2249, 15, 16, 17,
&end
#
# 113 HIS HB- 113 HIS HA 2.60 (# 809:20 Unique 2.36, 2.56 A)
&rst
ixpk= 809, nxpk= 20, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1=1733,1734,
&end
#
# 0 AMB 20-2:810 145 LEU HA 3.50 (# 810:20 Single Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2246,2247,2321,2322,
&end
#
# 145 LEU HB- 145 LEU HA 3.00 (# 811:20 Unique 2.42, 2.77 A)
&rst
ixpk= 811, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2246,2247,
&end
#
# 145 LEU MD2 145 LEU HA 3.00 (# 812:20 Unique 2.10, 2.89 A)
&rst
ixpk= 812, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2255,2256,2257,
&end
#
# 117 LEU HB+ 117 LEU HA 4.50 (# 813:20 Unique 2.24, 2.75 A)
&rst
ixpk= 813, nxpk= 20, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1785,1786,
&end
#
# 117 LEU HB- 117 LEU HA 4.50 (# 814:20 Unique 2.24, 2.75 A)
&rst
ixpk= 814, nxpk= 20, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1785,1786,
&end
#
# 117 LEU MD2 117 LEU HA 4.50 (# 815:20 Unique 2.82, 4.10 A)
&rst
ixpk= 815, nxpk= 20, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1794,1795,1796,
&end
#
# 0 AMB 20-2:816 149 ARG HA 3.50 (# 816:20 Single Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2321,2322,2246,2247,
&end
#
# 149 ARG HB- 149 ARG HA 3.50 (# 817:20 Unique 2.40, 2.77 A)
&rst
ixpk= 817, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2321,2322,
&end
#
# 149 ARG HG+ 149 ARG HA 3.50 (# 818:20 Unique 2.30, 3.07 A)
&rst
ixpk= 818, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2324,2325,
&end
#
# 100 ASP HB+ 100 ASP HA 3.50 (# 819:20 Unique 2.38, 2.74 A)
&rst
ixpk= 819, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1524,1525,
&end
#
# 100 ASP HB- 100 ASP HA 3.50 (# 820:20 Unique 2.38, 2.74 A)
&rst
ixpk= 820, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1524,1525,
&end
#
# 51 ALA MB 51 ALA HA 3.50 (# 821:20 Unique 2.44, 2.68 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 745, 746, 747,
&end
#
# 28 GLU HG+ 28 GLU HA 4.50 (# 822:20 Unique 2.98, 3.41 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 426, 427,
&end
#
# 28 GLU HB+ 28 GLU HA 3.50 (# 823:20 Unique 2.51, 2.80 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 423, 424,
&end
#
# 54 ALA MB 51 ALA HA 3.50 (# 824:20 Unique 2.71, 3.52 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 786, 787, 788,
&end
#
# 0 AMB 20-2:825 142 ALA HA 3.00 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=2197,2198,2199,2178,2179,
&end
#
# 0 AMB 20-2:826 142 ALA HA 3.00 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 450, 451, 452,2251,2252,2253,
&end
#
# 0 AMB 20-2:827 69 LEU HA 3.50 (# 827:20 Single Ambig)
&rst
ixpk= 827, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1092,1093,1094,1020,1021,
&end
#
# 0 AMB 20-2:828 69 LEU HA 3.50 (# 828:20 Single Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 559, 560, 561,1023,
&end
#
# 69 LEU MD1 69 LEU HA 4.50 (# 829:20 Unique 2.34, 2.93 A)
&rst
ixpk= 829, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1025,1026,1027,
&end
#
# 78 ASP HB- 1 MET HA 5.50 (# 830:20 Unique 2.41, 3.24 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 1 MET HG+ 1 MET HA 4.50 (# 831:20 Unique 2.94, 3.49 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 11, 12,
&end
#
# 1 MET HB- 1 MET HA 4.50 (# 832:20 Unique 2.38, 2.76 A)
&rst
ixpk= 832, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 8, 9,
&end
#
# 145 LEU HB+ 142 ALA HA 5.50 (# 833:20 Unique 2.48, 3.62 A)
&rst
ixpk= 833, nxpk= 20, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2246,2247,
&end
#
# 0 AMB 20-2:834 1 MET HA 4.50 (# 834:20 Single Ambig)
&rst
ixpk= 834, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 8, 9, 15, 16, 17,
&end
#
# 124 ILE QD1 54 ALA HA 3.50 (# 835:20 Unique 2.32, 3.32 A)
&rst
ixpk= 835, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1884,1885,1886,
&end
#
# 22 LYS HB- 19 ALA HA 4.50 (# 836:20 Unique 2.57, 3.53 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 0 AMB 20-2:837 19 ALA HA 4.50 (# 837:20 Single Ambig)
&rst
ixpk= 837, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 328, 329, 325, 326,
&end
#
# 19 ALA MB 19 ALA HA 3.00 (# 838:20 Unique 2.43, 2.68 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 273, 274, 275,
&end
#
# 54 ALA MB 54 ALA HA 3.00 (# 839:20 Unique 2.43, 2.68 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 786, 787, 788,
&end
#
# 92 ALA MB 92 ALA HA 3.00 (# 840:20 Unique 2.42, 2.67 A)
&rst
ixpk= 840, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1390,1391,1392,
&end
#
# 99 ARG HB- 92 ALA HA 5.50 (# 841:20 Unique 2.60, 4.19 A)
&rst
ixpk= 841, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1500,1501,
&end
#
# 62 LEU HB- 62 LEU HA 5.50 (# 842:20 Unique 2.35, 2.76 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 918, 919,
&end
#
# 0 AMB 20-2:843 62 LEU HA 4.50 (# 843:20 Single Ambig)
&rst
ixpk= 843, nxpk= 20, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 273, 274, 275, 921,
&end
#
# 62 LEU QD2 62 LEU HA 3.50 (# 844:20 Unique 2.73, 3.81 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 927, 928, 929,
&end
#
# 44 ASN HB- 44 ASN HA 4.50 (# 845:20 Unique 2.18, 2.63 A)
&rst
ixpk= 845, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 647, 648,
&end
#
# 65 VAL MG1 44 ASN HA 4.50 (# 846:20 Unique 2.38, 2.86 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 970, 971, 972,
&end
#
# 0 AMB 20-2:847 30 LEU HA 3.50 (# 847:20 Single Ambig)
&rst
ixpk= 847, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 448, 445, 446,
&end
#
# 30 LEU HB- 30 LEU HA 4.50 (# 848:20 Unique 2.75, 2.88 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 445, 446,
&end
#
# 0 AMB 20-2:849 30 LEU HA 4.50 (# 849:20 Single Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 450, 451, 452,2251,2252,2253,
&end
#
# 58 LYS HB+ 58 LYS HA 4.50 (# 850:20 Unique 2.52, 2.79 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 58 LYS HB- 58 LYS HA 3.50 (# 851:20 Unique 2.52, 2.79 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 850, 851,
&end
#
# 58 LYS HG- 58 LYS HA 5.50 (# 852:20 Unique 2.30, 2.72 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 853, 854,
&end
#
# 0 AMB 20-2:853 58 LYS HA 4.50 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 895, 896, 856, 857,
&end
#
# 58 LYS HG+ 58 LYS HA 4.50 (# 854:20 Unique 2.30, 2.72 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 853, 854,
&end
#
# 2 ASP HB+ 77 ALA HA 3.50 (# 857:20 Unique 2.04, 2.80 A)
&rst
ixpk= 857, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 25, 26,
&end
#
# 77 ALA MB 77 ALA HA 3.50 (# 858:20 Unique 2.41, 2.63 A)
&rst
ixpk= 858, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1145,1146,1147,
&end
#
# 61 ALA MB 61 ALA HA 3.00 (# 861:20 Unique 2.40, 2.65 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 908, 909, 910,
&end
#
# 0 AMB 20-2:862 0 AMB 20-1:862 3.50 (# 862:20 Double Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 633, 634,1006,1007,
igr2=1003,1004,1003,1004,
&end
#
# 0 AMB 20-2:863 0 AMB 20-1:863 3.50 (# 863:20 Double Ambig)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 633, 634,1006,1007,
igr2= 630, 631, 630, 631,
&end
#
# 148 ASP HB- 148 ASP HA 3.50 (# 865:20 Unique 2.43, 2.77 A)
&rst
ixpk= 865, nxpk= 20, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2309,2310,
&end
#
# 148 ASP HB+ 148 ASP HA 3.50 (# 866:20 Unique 2.43, 2.77 A)
&rst
ixpk= 866, nxpk= 20, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2309,2310,
&end
#
# 0 AMB 20-2:872 0 AMB 20-1:872 3.50 (# 872:20 Double Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 524, 525, 527, 528,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:873 0 AMB 20-1:873 3.00 (# 873:20 Double Ambig)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1319,1320,2324,2325,
igr2=1506,1507,2327,2328,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 3.50 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 364, 365, 366, 357, 358, 359, 801, 802, 803,1884,
1885,1886,
igr2=2143,2144, 405, 406,2143,2144,2005,2006,
&end
#
# 0 AMB 20-2:875 0 AMB 20-1:875 4.50 (# 875:20 Double Ambig)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2072,2073,2050,2051,2069,2070,
igr2=2143,2144,2005,2006,2143,2144,
&end
#
# 0 AMB 20-2:876 0 AMB 20-1:876 3.00 (# 876:20 Double Ambig)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2140,2141, 399, 400, 15, 16, 17,
igr2=2143,2144, 405, 406,2327,2328,
&end
#
# 35 ARG HG- 35 ARG HD+ 3.50 (# 877:20 Unique 2.37, 2.68 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528,
igr2= 530, 531,
&end
#
# 73 LEU MD2 35 ARG HD+ 5.50 (# 878:20 Unique 3.33, 5.64 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,1094,
igr2= 530, 531,
&end
#
# 73 LEU MD1 35 ARG HD+ 4.50 (# 879:20 Unique 2.23, 3.92 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1088,1089,1090,
igr2= 530, 531,
&end
#
# 4 ILE QD1 35 ARG HD+ 5.50 (# 880:20 Unique 3.15, 6.03 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 65, 66, 67,
igr2= 530, 531,
&end
#
# 35 ARG HG- 35 ARG HD- 4.50 (# 881:20 Unique 2.37, 2.68 A)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528,
igr2= 530, 531,
&end
#
# 35 ARG HB+ 35 ARG HD- 5.50 (# 882:20 Unique 2.26, 3.29 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 524, 525,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:883 35 ARG HD- 3.50 (# 883:20 Single Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 524, 525, 527, 528,
igr2= 530, 531,
&end
#
# 73 LEU MD1 35 ARG HD- 4.50 (# 884:20 Unique 2.23, 3.92 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1088,1089,1090,
igr2= 530, 531,
&end
#
# 97 ARG HB+ 97 ARG HD+ 3.50 (# 885:20 Unique 2.49, 3.40 A)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1455,1456,
igr2=1461,1462,
&end
#
# 97 ARG HG+ 97 ARG HD+ 3.00 (# 886:20 Unique 2.34, 2.59 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1458,1459,
igr2=1461,1462,
&end
#
# 97 ARG HG- 97 ARG HD+ 3.50 (# 887:20 Unique 2.34, 2.59 A)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1458,1459,
igr2=1461,1462,
&end
#
# 101 LYS HG+ 101 LYS HE+ 4.50 (# 888:20 Unique 2.39, 2.97 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1539,1540,
igr2=1545,1546,
&end
#
# 106 LYS HG+ 106 LYS HE+ 3.50 (# 889:20 Unique 2.37, 3.16 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1630,1631,
igr2=1636,1637,
&end
#
# 105 LEU HG 106 LYS HE+ 4.50 (# 890:20 Unique 3.69, 4.66 A)
&rst
ixpk= 890, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1636,1637,
&end
#
# 106 LYS HD- 106 LYS HE+ 5.50 (# 891:20 Unique 2.35, 2.65 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1633,1634,
igr2=1636,1637,
&end
#
# 0 AMB 20-2:892 101 LYS HE- 4.50 (# 892:20 Single Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1542,1543,1109,1110,1111,
igr2=1545,1546,
&end
#
# 34 VAL MG2 22 LYS HE+ 5.50 (# 893:20 Unique 2.01, 4.32 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 514, 515, 516,
igr2= 331, 332,
&end
#
# 18 GLU HG- 22 LYS HE+ 4.50 (# 894:20 Unique 2.09, 4.31 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 261, 262,
igr2= 331, 332,
&end
#
# 22 LYS HB+ 22 LYS HE+ 5.50 (# 895:20 Unique 2.25, 3.80 A)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 322, 323,
igr2= 331, 332,
&end
#
# 0 AMB 20-2:896 0 AMB 20-1:896 3.50 (# 896:20 Double Ambig)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 185, 186, 328, 329, 325, 326,
igr2= 188, 189, 331, 332, 331, 332,
&end
#
# 0 AMB 20-2:897 0 AMB 20-1:897 4.50 (# 897:20 Double Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 325, 326, 182, 183,
igr2= 331, 332, 188, 189,
&end
#
# 0 AMB 20-2:898 0 AMB 20-1:898 3.50 (# 898:20 Double Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 261, 262, 668, 669,
igr2= 331, 332, 677, 678,
&end
#
# 34 VAL MG2 22 LYS HE- 4.50 (# 899:20 Unique 2.01, 4.32 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 514, 515, 516,
igr2= 331, 332,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 3.50 (# 900:20 Double Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2265,2266, 322, 323,1238,1239,1240,
igr2=2274,2275, 331, 332, 188, 189,
&end
#
# 0 AMB 20-2:901 0 AMB 20-1:901 3.00 (# 901:20 Double Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 668, 669, 674, 675,2271,2272, 325, 326,
igr2= 677, 678, 677, 678,2274,2275, 331, 332,
&end
#
# 0 AMB 20-2:902 0 AMB 20-1:902 3.00 (# 902:20 Double Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2268,2269, 325, 326, 671, 672, 182, 183,
igr2=2274,2275, 331, 332, 677, 678, 188, 189,
&end
#
# 147 LYS HB+ 147 LYS HE+ 3.50 (# 903:20 Unique 1.98, 3.10 A)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2287,2288,
igr2=2296,2297,
&end
#
# 0 AMB 20-2:904 0 AMB 20-1:904 3.00 (# 904:20 Double Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2268,2269,2210,2211,
igr2=2274,2275,2274,2275,
&end
#
# 0 AMB 20-2:905 0 AMB 20-1:905 3.50 (# 905:20 Double Ambig)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2265,2266,1769,
igr2=2274,2275, 188, 189,
&end
#
# 0 AMB 20-2:906 0 AMB 20-1:906 3.50 (# 906:20 Double Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 450, 451, 452,1794,1795,1796,
igr2=2274,2275,1804,1805,
&end
#
# 0 AMB 20-2:907 0 AMB 20-1:907 5.50 (# 907:20 Double Ambig)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1971,1972,2232,2233,
igr2=1955,1956,2296,2297,
&end
#
# 57 GLU HB- 58 LYS HE+ 5.50 (# 908:20 Unique 5.58, 7.51 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 835, 836,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:909 0 AMB 20-1:909 4.50 (# 909:20 Double Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 799,2053, 231, 232,
igr2= 859, 860, 859, 860, 859, 860,
&end
#
# 131 ARG HB- 58 LYS HE+ 3.70 (# 910:20 Unique 2.49, 3.70 A)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1999,2000,
igr2= 859, 860,
&end
#
# 55 LEU MD1 58 LYS HE+ 3.50 (# 911:20 Unique 3.38, 4.83 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 801, 802, 803,
igr2= 859, 860,
&end
#
# 84 THR MG2 118 ASP HB+ 5.50 (# 912:20 Unique 5.90, 7.21 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1250,1251,1252,
igr2=1804,1805,
&end
#
# 58 LYS HD- 58 LYS HE+ 4.50 (# 913:20 Unique 2.37, 2.61 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 856, 857,
igr2= 859, 860,
&end
#
# 58 LYS HG+ 58 LYS HE+ 4.50 (# 914:20 Unique 2.96, 3.72 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:915 0 AMB 20-1:915 3.50 (# 915:20 Double Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 850, 851,2002,2003, 856, 857,
igr2= 859, 860, 859, 860, 859, 860,
&end
#
# 58 LYS HG- 58 LYS HE+ 4.50 (# 916:20 Unique 2.96, 3.72 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:917 58 LYS HE- 5.50 (# 917:20 Single Ambig)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 850, 851,2002,2003, 856, 857,
igr2= 859, 860,
&end
#
# 58 LYS HD- 58 LYS HE- 5.50 (# 918:20 Unique 2.37, 2.61 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 856, 857,
igr2= 859, 860,
&end
#
# 58 LYS HG+ 58 LYS HE- 4.50 (# 919:20 Unique 2.96, 3.72 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 859, 860,
&end
#
# 58 LYS HG- 58 LYS HE- 4.50 (# 920:20 Unique 2.96, 3.72 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 859, 860,
&end
#
# 150 ARG HG+ 148 ASP HB+ 5.50 (# 921:20 Unique 2.34, 6.22 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2348,2349,
igr2=2309,2310,
&end
#
# 74 MET HE 98 TYR HB- 3.50 (# 923:20 Unique 2.32, 3.50 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1109,1110,1111,
igr2=1479,1480,
&end
#
# 8 THR MG2 40 PHE HB+ 5.50 (# 924:20 Unique 2.42, 5.55 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 124, 125, 126,
igr2= 592, 593,
&end
#
# 82 ALA MB 87 HIS HB- 5.50 (# 926:20 Unique 2.15, 3.56 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1221,1222,1223,
igr2=1296,1297,
&end
#
# 82 ALA MB 87 HIS HB+ 4.50 (# 927:20 Unique 2.15, 3.56 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1221,1222,1223,
igr2=1296,1297,
&end
#
# 52 VAL MG2 52 VAL HA 3.50 (# 930:20 Unique 2.41, 2.93 A)
&rst
ixpk= 930, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 761, 762, 763,
&end
#
# 62 LEU QD1 52 VAL HA 3.50 (# 931:20 Unique 2.36, 3.28 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 923, 924, 925,
&end
#
# 91 ILE QG2 91 ILE HA 3.50 (# 932:20 Unique 2.64, 3.26 A)
&rst
ixpk= 932, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1373,1374,1375,
&end
#
# 0 AMB 20-2:933 91 ILE HA 4.50 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1354,1355,1356, 101, 102, 103,1020,1021,
&end
#
# 27 ARG HB+ 24 ILE HA 4.50 (# 934:20 Unique 2.48, 3.68 A)
&rst
ixpk= 934, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 399, 400,
&end
#
# 24 ILE HG1+ 24 ILE HA 4.50 (# 935:20 Unique 2.35, 2.60 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 361, 362,
&end
#
# 24 ILE QG2 24 ILE HA 3.50 (# 936:20 Unique 2.67, 3.30 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 357, 358, 359,
&end
#
# 0 AMB 20-2:937 135 GLU HA 3.00 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2072,2073,2069,2070,
&end
#
# 138 LEU HB+ 135 GLU HA 4.50 (# 938:20 Unique 2.66, 3.53 A)
&rst
ixpk= 938, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2118,2119,
&end
#
# 20 LEU QD1 135 GLU HA 3.00 (# 939:20 Unique 2.25, 3.17 A)
&rst
ixpk= 939, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 288, 289, 290,
&end
#
# 128 LYS HB+ 128 LYS HA 4.50 (# 940:20 Unique 2.23, 2.58 A)
&rst
ixpk= 940, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1946,1947,
&end
#
# 54 ALA MB 128 LYS HA 4.50 (# 941:20 Unique 3.28, 4.32 A)
&rst
ixpk= 941, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 786, 787, 788,
&end
#
# 0 AMB 20-2:942 88 LYS HA 4.50 (# 942:20 Single Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1313,1314,1221,1222,1223,
&end
#
# 102 VAL MG2 88 LYS HA 4.50 (# 943:20 Unique 3.13, 4.51 A)
&rst
ixpk= 943, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1564,1565,1566,
&end
#
# 91 ILE QD1 88 LYS HA 4.50 (# 944:20 Unique 2.20, 3.42 A)
&rst
ixpk= 944, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1380,1381,1382,
&end
#
# 88 LYS HB+ 88 LYS HA 5.50 (# 945:20 Unique 2.34, 2.75 A)
&rst
ixpk= 945, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1313,1314,
&end
#
# 71 GLU HG- 71 GLU HA 4.50 (# 946:20 Unique 2.45, 2.75 A)
&rst
ixpk= 946, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1056,1057,
&end
#
# 71 GLU HB- 71 GLU HA 4.50 (# 947:20 Unique 2.52, 2.79 A)
&rst
ixpk= 947, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1053,1054,
&end
#
# 71 GLU HB+ 71 GLU HA 4.50 (# 948:20 Unique 2.52, 2.79 A)
&rst
ixpk= 948, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1053,1054,
&end
#
# 20 LEU HG 131 ARG HA 5.50 (# 949:20 Unique 4.93, 5.47 A)
&rst
ixpk= 949, nxpk= 20, iat= 286,1997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 MET HE1 131 ARG HA 5.50 (# 950:20 Unique 3.13, 4.03 A)
&rst
ixpk= 950, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 238, 239, 240,
&end
#
# 75 GLU HB+ 75 GLU HA 4.50 (# 951:20 Unique 2.57, 2.81 A)
&rst
ixpk= 951, nxpk= 20, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1119,1120,
&end
#
# 75 GLU HB- 75 GLU HA 5.50 (# 952:20 Unique 2.57, 2.81 A)
&rst
ixpk= 952, nxpk= 20, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1119,1120,
&end
#
# 0 AMB 20-2:953 75 GLU HA 4.50 (# 953:20 Single Ambig)
&rst
ixpk= 953, nxpk= 20, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1122,1123,1122,1123,
&end
#
# 30 LEU HB+ 25 ALA HA 3.50 (# 954:20 Unique 2.22, 2.85 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 446,
&end
#
# 25 ALA MB 25 ALA HA 3.00 (# 955:20 Unique 2.47, 2.67 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 374, 375, 376,
&end
#
# 0 AMB 20-2:956 17 ALA HA 4.50 (# 956:20 Single Ambig)
&rst
ixpk= 956, nxpk= 20, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 288, 289, 290, 286,
&end
#
# 17 ALA MB 17 ALA HA 3.50 (# 957:20 Unique 2.45, 2.68 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 248, 249, 250,
&end
#
# 0 AMB 20-2:958 68 PRO HD- 4.50 (# 958:20 Single Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 633, 634,1006,1007,
igr2=1003,1004,
&end
#
# 30 LEU HA 30 LEU HB+ 5.50 (# 960:20 Unique 2.75, 2.88 A)
&rst
ixpk= 960, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 30 LEU MD1 30 LEU HB+ 3.00 (# 962:20 Unique 2.33, 3.11 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 450, 451, 452,
igr2= 445, 446,
&end
#
# 30 LEU MD1 30 LEU HB- 3.50 (# 964:20 Unique 2.33, 3.11 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 450, 451, 452,
igr2= 445, 446,
&end
#
# 0 AMB 20-2:966 0 AMB 20-1:966 3.50 (# 966:20 Double Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 286, 288, 289, 290,
igr2= 283, 284, 283, 284,
&end
#
# 0 AMB 20-2:968 20 LEU HB- 3.50 (# 968:20 Single Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 286, 288, 289, 290,
igr2= 283, 284,
&end
#
# 84 THR MG2 115 ASP HB+ 4.50 (# 970:20 Unique 2.28, 4.16 A)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1250,1251,1252,
igr2=1757,1758,
&end
#
# 0 AMB 20-2:971 0 AMB 20-1:971 5.50 (# 971:20 Double Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1613,1614,1615,1687,1688,1689,
igr2=2099,2100,2099,2100,
&end
#
# 0 AMB 20-2:972 0 AMB 20-1:972 4.50 (# 972:20 Double Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1611, 288, 289, 290,
igr2=2099,2100,2099,2100,
&end
#
# 0 AMB 20-2:978 0 AMB 20-1:978 4.50 (# 978:20 Double Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 927, 928, 929,2127,2128,2129,
igr2= 918, 919,2099,2100,
&end
#
# 62 LEU QD1 62 LEU HB- 4.50 (# 979:20 Unique 2.32, 3.04 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 923, 924, 925,
igr2= 918, 919,
&end
#
# 77 ALA HA 2 ASP HB+ 3.50 (# 980:20 Unique 2.04, 2.80 A)
&rst
ixpk= 980, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 134 LEU MD1 134 LEU HB+ 3.50 (# 981:20 Unique 2.34, 3.51 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2055,2056,2057,
igr2=2050,2051,
&end
#
# 134 LEU MD1 134 LEU HB- 3.50 (# 982:20 Unique 2.34, 3.51 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2055,2056,2057,
igr2=2050,2051,
&end
#
# 106 LYS HG+ 106 LYS HE- 3.50 (# 984:20 Unique 2.37, 3.16 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1630,1631,
igr2=1636,1637,
&end
#
# 105 LEU HG 106 LYS HE- 4.50 (# 985:20 Unique 3.69, 4.66 A)
&rst
ixpk= 985, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1636,1637,
&end
#
# 116 VAL HA 106 LYS HE- 4.50 (# 986:20 Unique 2.42, 3.65 A)
&rst
ixpk= 986, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1636,1637,
&end
#
# 77 ALA MB 2 ASP HB- 5.50 (# 987:20 Unique 3.13, 4.75 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1145,1146,1147,
igr2= 25, 26,
&end
#
# 106 LYS HD- 106 LYS HE- 4.50 (# 988:20 Unique 2.35, 2.65 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1633,1634,
igr2=1636,1637,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 4.50 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1783,1985,
igr2=1785,1786,1785,1786,
&end
#
# 117 LEU HG 117 LEU HB+ 4.50 (# 991:20 Unique 2.38, 2.81 A)
&rst
ixpk= 991, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1785,1786,
&end
#
# 117 LEU MD1 117 LEU HB+ 4.50 (# 992:20 Unique 2.35, 3.11 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1790,1791,1792,
igr2=1785,1786,
&end
#
# 0 AMB 20-2:994 0 AMB 20-1:994 4.50 (# 994:20 Double Ambig)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 559, 560, 561,1023,1613,1614,1615,
igr2=1020,1021,1020,1021,1608,1609,
&end
#
# 105 LEU MD1 105 LEU HB- 5.50 (# 995:20 Unique 2.36, 3.60 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1613,1614,1615,
igr2=1608,1609,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 5.50 (# 998:20 Double Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1025,1026,1027, 58, 59, 60,
igr2=1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:999 0 AMB 20-1:999 4.50 (# 999:20 Double Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446, 56, 43, 44,
igr2=2246,2247,1083,1084,
&end
#
# 0 AMB 20-2:1001 0 AMB 20-1:1001 4.50 (# 1001:20 Double Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 65, 66, 67, 58, 59, 60,
igr2=1083,1084,1083,1084,
&end
#
# 73 LEU MD1 73 LEU HB+ 4.50 (# 1002:20 Unique 2.51, 3.59 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1088,1089,1090,
igr2=1083,1084,
&end
#
# 105 LEU HG 105 LEU HB- 4.50 (# 1003:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1003, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1608,1609,
&end
#
# 73 LEU HA 73 LEU HB- 4.50 (# 1004:20 Unique 2.44, 2.76 A)
&rst
ixpk= 1004, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 73 LEU MD2 73 LEU HB- 4.50 (# 1006:20 Unique 2.42, 3.11 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1092,1093,1094,
igr2=1083,1084,
&end
#
# 73 LEU MD1 73 LEU HB- 4.50 (# 1007:20 Unique 2.51, 3.59 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1088,1089,1090,
igr2=1083,1084,
&end
#
# 0 AMB 20-2:1008 73 LEU HB- 4.50 (# 1008:20 Single Ambig)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 65, 66, 67, 58, 59, 60,
igr2=1083,1084,
&end
#
# 145 LEU HA 145 LEU HB+ 5.50 (# 1011:20 Unique 2.42, 2.77 A)
&rst
ixpk= 1011, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 0 AMB 20-2:1012 145 LEU HB- 3.00 (# 1012:20 Single Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 450, 451, 452,2251,2252,2253,2255,2256,2257,
igr2=2246,2247,
&end
#
# 0 AMB 20-2:1014 0 AMB 20-1:1014 3.00 (# 1014:20 Double Ambig)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 450, 451, 452,2251,2252,2253,2255,2256,2257,
igr2=2246,2247,2246,2247,2246,2247,
&end
#
# 34 VAL MG1 3 ILE HB 5.50 (# 1016:20 Unique 2.13, 3.13 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 510, 511, 512,
&end
#
# 3 ILE HG1+ 3 ILE HB 4.50 (# 1017:20 Unique 2.44, 2.75 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 43, 44,
&end
#
# 3 ILE QG2 3 ILE HB 4.50 (# 1018:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 39, 40, 41,
&end
#
# 3 ILE QD1 3 ILE HB 4.50 (# 1019:20 Unique 2.49, 3.18 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 46, 47, 48,
&end
#
# 150 ARG HG+ 148 ASP HB+ 5.50 (# 1021:20 Unique 2.34, 6.22 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2348,2349,
igr2=2309,2310,
&end
#
# 150 ARG HG+ 148 ASP HB- 5.50 (# 1024:20 Unique 2.34, 6.22 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2348,2349,
igr2=2309,2310,
&end
#
# 0 AMB 20-2:1025 4 ILE HB 3.50 (# 1025:20 Single Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1188,1189,1190, 97, 98, 99,
&end
#
# 81 LEU HB- 4 ILE HB 7.00 (# 1026:20 Unique 5.55, 6.12 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1202,1203,
&end
#
# 4 ILE HG1- 4 ILE HB 4.50 (# 1027:20 Unique 2.52, 2.81 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 62, 63,
&end
#
# 4 ILE QG2 4 ILE HB 3.00 (# 1028:20 Unique 2.45, 2.68 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 58, 59, 60,
&end
#
# 0 AMB 20-2:1029 0 AMB 20-1:1029 3.50 (# 1029:20 Double Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1892,1864,1865,
igr2=1894,1895,1894,1895,
&end
#
# 0 AMB 20-2:1031 125 ASP HB- 4.50 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1892,1864,1865,
igr2=1894,1895,
&end
#
# 60 ILE QG2 60 ILE HB 3.50 (# 1033:20 Unique 2.44, 2.68 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 891, 892, 893,
&end
#
# 100 ASP HA 100 ASP HB+ 3.50 (# 1034:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1034, nxpk= 20, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1524,1525,
&end
#
# 100 ASP HA 100 ASP HB- 3.50 (# 1036:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1036, nxpk= 20, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1524,1525,
&end
#
# 74 MET HE 98 TYR HB+ 5.50 (# 1038:20 Unique 2.32, 3.50 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1109,1110,1111,
igr2=1479,1480,
&end
#
# 0 AMB 20-2:1039 24 ILE HB 3.50 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 357, 358, 359, 364, 365, 366,
&end
#
# 0 AMB 20-2:1041 0 AMB 20-1:1041 4.50 (# 1041:20 Double Ambig)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1966,2033,
igr2=2023,2024,2023,2024,
&end
#
# 8 THR MG2 40 PHE HB- 5.50 (# 1043:20 Unique 2.42, 5.55 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 124, 125, 126,
igr2= 592, 593,
&end
#
# 102 VAL MG2 91 ILE HB 3.50 (# 1044:20 Unique 2.90, 4.00 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1564,1565,1566,
&end
#
# 91 ILE QG2 91 ILE HB 3.50 (# 1045:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1373,1374,1375,
&end
#
# 91 ILE QD1 91 ILE HB 3.50 (# 1046:20 Unique 2.34, 3.05 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1380,1381,1382,
&end
#
# 90 ILE QD1 90 ILE HB 3.50 (# 1049:20 Unique 2.43, 3.03 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1361,1362,1363,
&end
#
# 44 ASN HA 44 ASN HB- 4.50 (# 1050:20 Unique 2.18, 2.63 A)
&rst
ixpk= 1050, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 647, 648,
&end
#
# 0 AMB 20-2:1053 124 ILE HB 3.50 (# 1053:20 Single Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1,1875, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1877,1878,1879,1884,1885,1886,
&end
#
# 0 AMB 20-2:1054 0 AMB 20-1:1054 4.50 (# 1054:20 Double Ambig)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2033,2082,1767,
igr2=2038,2039,2087,2088,
&end
#
# 105 LEU HG 133 GLU HG- 7.00 (# 1056:20 Unique 6.52, 7.47 A)
&rst
ixpk= 1056, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2038,2039,
&end
#
# 135 GLU HA 135 GLU HG+ 3.50 (# 1057:20 Unique 2.37, 2.79 A)
&rst
ixpk= 1057, nxpk= 20, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2072,2073,
&end
#
# 20 LEU QD1 135 GLU HG+ 3.00 (# 1058:20 Unique 2.62, 4.94 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 288, 289, 290,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:1059 0 AMB 20-1:1059 4.50 (# 1059:20 Double Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2033,2082,1767,
igr2=2038,2039,2087,2088,2038,2039,
&end
#
# 0 AMB 20-2:1061 0 AMB 20-1:1061 3.00 (# 1061:20 Double Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2084,2085,2035,2036,
igr2=2087,2088,2038,2039,
&end
#
# 0 AMB 20-2:1062 0 AMB 20-1:1062 5.50 (# 1062:20 Double Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1790,1791,1792,1611,
igr2=2038,2039,2038,2039,
&end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 4.50 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2140,2141, 856, 857,
igr2=2072,2073,2072,2073,
&end
#
# 72 GLU HB- 72 GLU HG+ 3.00 (# 1064:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1068,1069,
igr2=1071,1072,
&end
#
# 72 GLU HA 72 GLU HG+ 3.50 (# 1065:20 Unique 3.77, 3.81 A)
&rst
ixpk= 1065, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1071,1072,
&end
#
# 72 GLU HB+ 72 GLU HG+ 3.00 (# 1066:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1068,1069,
igr2=1071,1072,
&end
#
# 6 VAL MG2 6 VAL HB 3.50 (# 1067:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 101, 102, 103,
&end
#
# 6 VAL MG1 6 VAL HB 3.00 (# 1068:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 97, 98, 99,
&end
#
# 126 ILE HA 126 ILE HB 4.50 (# 1069:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1069, nxpk= 20, iat=1904,1906, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 ILE HG1- 126 ILE HB 5.50 (# 1070:20 Unique 2.41, 2.44 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1912,1913,
&end
#
# 126 ILE QG2 126 ILE HB 4.50 (# 1071:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1908,1909,1910,
&end
#
# 71 GLU HA 71 GLU HG+ 5.50 (# 1072:20 Unique 2.45, 2.75 A)
&rst
ixpk= 1072, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 71 GLU HB+ 71 GLU HG+ 3.00 (# 1073:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1053,1054,
igr2=1056,1057,
&end
#
# 71 GLU HB- 71 GLU HG+ 3.00 (# 1074:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1053,1054,
igr2=1056,1057,
&end
#
# 71 GLU HA 71 GLU HG- 4.50 (# 1075:20 Unique 2.45, 2.75 A)
&rst
ixpk= 1075, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1056,1057,
&end
#
# 126 ILE QD1 126 ILE HB 5.50 (# 1076:20 Unique 3.82, 4.00 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1915,1916,1917,
&end
#
# 57 GLU HA 57 GLU HG+ 4.50 (# 1077:20 Unique 2.40, 2.87 A)
&rst
ixpk= 1077, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 838, 839,
&end
#
# 57 GLU HB- 57 GLU HG+ 3.50 (# 1079:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 835, 836,
igr2= 838, 839,
&end
#
# 0 AMB 20-2:1080 0 AMB 20-1:1080 3.00 (# 1080:20 Double Ambig)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 835, 836,1053,1054,
igr2= 838, 839,1056,1057,
&end
#
# 53 GLU HA 53 GLU HG- 3.50 (# 1085:20 Unique 2.38, 3.23 A)
&rst
ixpk= 1085, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 774, 775,
&end
#
# 53 GLU HA 53 GLU HG+ 3.00 (# 1086:20 Unique 2.38, 3.23 A)
&rst
ixpk= 1086, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1087 0 AMB 20-1:1087 3.00 (# 1087:20 Double Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 771, 772, 399, 400, 835, 836,
igr2= 774, 775, 426, 427, 774, 775,
&end
#
# 0 AMB 20-2:1088 0 AMB 20-1:1088 3.50 (# 1088:20 Double Ambig)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 450, 451, 452,1884,1885,1886,
igr2= 426, 427, 774, 775,
&end
#
# 75 GLU HA 75 GLU HG- 4.50 (# 1089:20 Unique 2.37, 2.92 A)
&rst
ixpk= 1089, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1122,1123,
&end
#
# 75 GLU HB- 75 GLU HG- 3.50 (# 1090:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1119,1120,
igr2=1122,1123,
&end
#
# 124 ILE QD1 53 GLU HG- 3.50 (# 1091:20 Unique 2.57, 4.02 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1884,1885,1886,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1092 0 AMB 20-1:1092 3.00 (# 1092:20 Double Ambig)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 771, 772,1119,1120,1649,1650,
igr2= 774, 775,1122,1123,1652,1653,
&end
#
# 28 GLU HA 28 GLU HG- 5.50 (# 1093:20 Unique 2.98, 3.41 A)
&rst
ixpk= 1093, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 426, 427,
&end
#
# 28 GLU HA 28 GLU HG+ 5.50 (# 1094:20 Unique 2.98, 3.41 A)
&rst
ixpk= 1094, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1095 0 AMB 20-1:1095 4.50 (# 1095:20 Double Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2197,2198,2199, 448, 445, 446,
igr2= 426, 427, 426, 427, 426, 427,
&end
#
# 0 AMB 20-2:1096 0 AMB 20-1:1096 3.50 (# 1096:20 Double Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 423, 424, 402, 403,
igr2= 426, 427, 426, 427,
&end
#
# 0 AMB 20-2:1097 0 AMB 20-1:1097 4.50 (# 1097:20 Double Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1117, 815, 816,
igr2=1122,1123, 774, 775,
&end
#
# 75 GLU HB- 75 GLU HG+ 3.50 (# 1098:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1119,1120,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:1100 28 GLU HG- 3.50 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 423, 424, 402, 403,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1101 28 GLU HG- 4.50 (# 1101:20 Single Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2197,2198,2199, 448, 445, 446,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:1102 28 GLU HG- 3.50 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 450, 451, 452, 357, 358, 359,
igr2= 426, 427,
&end
#
# 35 ARG HG- 35 ARG HB+ 4.50 (# 1104:20 Unique 2.19, 2.66 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 30 LEU HB+ 32 VAL HB 5.50 (# 1105:20 Unique 5.49, 6.33 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 0 AMB 20-2:1106 32 VAL HB 4.50 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 37, 514, 515, 516, 445, 446,
&end
#
# 34 VAL MG1 32 VAL HB 4.50 (# 1107:20 Unique 2.78, 3.55 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 510, 511, 512,
&end
#
# 32 VAL MG2 32 VAL HB 3.00 (# 1108:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 484, 485, 486,
&end
#
# 32 VAL MG1 32 VAL HB 3.00 (# 1109:20 Unique 2.35, 2.63 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 480, 481, 482,
&end
#
# 3 ILE QD1 32 VAL HB 5.50 (# 1110:20 Unique 3.57, 4.31 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 46, 47, 48,
&end
#
# 46 LYS HG+ 46 LYS HB- 3.50 (# 1113:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 671, 672,
igr2= 668, 669,
&end
#
# 46 LYS HG+ 46 LYS HB+ 3.00 (# 1114:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 671, 672,
igr2= 668, 669,
&end
#
# 46 LYS HE+ 46 LYS HB+ 5.50 (# 1115:20 Unique 2.15, 3.84 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 677, 678,
igr2= 668, 669,
&end
#
# 0 AMB 20-2:1117 34 VAL HB 3.00 (# 1117:20 Single Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 514, 515, 516, 37,
&end
#
# 34 VAL MG1 34 VAL HB 3.50 (# 1118:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 510, 511, 512,
&end
#
# 1 MET HG+ 1 MET HB- 3.50 (# 1120:20 Unique 2.38, 2.59 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:1122 1 MET HB- 4.50 (# 1122:20 Single Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2251,2252,2253, 484, 485, 486,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB+ 4.50 (# 1123:20 Unique 2.38, 2.59 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 4.50 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2251,2252,2253, 484, 485, 486,
igr2= 8, 9, 508, 8, 9,
&end
#
# 1 MET HA 1 MET HB- 5.50 (# 1126:20 Unique 2.38, 2.76 A)
&rst
ixpk= 1126, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:1127 0 AMB 20-1:1127 3.50 (# 1127:20 Double Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2159,1966,
igr2=2164,2165,1971,1972,
&end
#
# 0 AMB 20-2:1128 0 AMB 20-1:1128 3.00 (# 1128:20 Double Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1968,1969,2161,2162,
igr2=1971,1972,2164,2165,
&end
#
# 0 AMB 20-2:1129 0 AMB 20-1:1129 4.50 (# 1129:20 Double Ambig)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2137,2138,2207,2208,
igr2=2164,2165,2164,2165,
&end
#
# 109 VAL MG1 140 GLN HG+ 4.50 (# 1130:20 Unique 4.13, 4.76 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1687,1688,1689,
igr2=2164,2165,
&end
#
# 126 ILE QD1 129 GLN HG+ 4.50 (# 1131:20 Unique 3.80, 5.85 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1915,1916,1917,
igr2=1971,1972,
&end
#
# 109 VAL MG1 140 GLN HG- 3.50 (# 1132:20 Unique 4.13, 4.76 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1687,1688,1689,
igr2=2164,2165,
&end
#
# 109 VAL MG2 144 GLN HG+ 5.50 (# 1133:20 Unique 2.95, 6.04 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1691,1692,1693,
igr2=2232,2233,
&end
#
# 141 LEU HA 144 GLN HG- 4.50 (# 1134:20 Unique 2.63, 3.91 A)
&rst
ixpk= 1134, nxpk= 20, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2232,2233,
&end
#
# 0 AMB 20-2:1135 0 AMB 20-1:1135 3.00 (# 1135:20 Double Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2227,1277,
igr2=2232,2233,1282,1283,
&end
#
# 0 AMB 20-2:1136 0 AMB 20-1:1136 5.50 (# 1136:20 Double Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1952,1953,2213,2214,
igr2=1971,1972,2164,2165,
&end
#
# 141 LEU HA 144 GLN HG+ 4.50 (# 1137:20 Unique 2.63, 3.91 A)
&rst
ixpk= 1137, nxpk= 20, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2232,2233,
&end
#
# 0 AMB 20-2:1138 0 AMB 20-1:1138 3.50 (# 1138:20 Double Ambig)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=2183,2184,2185,2104,2105,2106,1794,1795,1796,2255,
2256,2257,
igr2=2232,2233,2164,2165,1971,1972,2232,2233,
&end
#
# 0 AMB 20-2:1139 0 AMB 20-1:1139 3.00 (# 1139:20 Double Ambig)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2227,1904,1277,
igr2=2232,2233,1971,1972,1338,1339,
&end
#
# 90 ILE QD1 86 GLN HG+ 3.50 (# 1140:20 Unique 2.38, 3.69 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1361,1362,1363,
igr2=1282,1283,
&end
#
# 0 AMB 20-2:1141 0 AMB 20-1:1141 3.50 (# 1141:20 Double Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1279,1280,2207,2208,
igr2=1282,1283,2232,2233,
&end
#
# 0 AMB 20-2:1142 0 AMB 20-1:1142 3.50 (# 1142:20 Double Ambig)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1279,1280,1358,1359,
igr2=1282,1283,1282,1283,
&end
#
# 0 AMB 20-2:1144 0 AMB 20-1:1144 3.00 (# 1144:20 Double Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2229,2230,1335,1336,2161,2162,
igr2=2232,2233,1338,1339,2164,2165,
&end
#
# 86 GLN HA 0 AMB 20-1:1145 4.50 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1282,1283,1338,1339,
&end
#
# 86 GLN HB+ 86 GLN HG- 3.50 (# 1146:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1279,1280,
igr2=1282,1283,
&end
#
# 0 AMB 20-2:1147 86 GLN HG- 3.00 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1279,1280,1358,1359,
igr2=1282,1283,
&end
#
# 90 ILE QD1 86 GLN HG- 3.50 (# 1148:20 Unique 2.38, 3.69 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1361,1362,1363,
igr2=1282,1283,
&end
#
# 65 VAL HA 65 VAL HB 4.50 (# 1149:20 Unique 3.04, 3.04 A)
&rst
ixpk= 1149, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL MG1 65 VAL HB 3.00 (# 1150:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 970, 971, 972,
&end
#
# 65 VAL MG2 65 VAL HB 3.00 (# 1151:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 974, 975, 976,
&end
#
# 0 AMB 20-2:1152 101 LYS HB- 5.50 (# 1152:20 Single Ambig)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1109,1110,1111,1542,1543,
igr2=1536,1537,
&end
#
# 89 GLN HA 89 GLN HG- 3.50 (# 1153:20 Unique 2.55, 2.84 A)
&rst
ixpk= 1153, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1338,1339,
&end
#
# 101 LYS HG+ 101 LYS HB+ 4.50 (# 1156:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1539,1540,
igr2=1536,1537,
&end
#
# 101 LYS HG+ 101 LYS HB- 5.50 (# 1158:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1539,1540,
igr2=1536,1537,
&end
#
# 101 LYS HG- 101 LYS HB- 5.50 (# 1159:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1539,1540,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:1160 0 AMB 20-1:1160 4.50 (# 1160:20 Double Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1409,1400,1401,
igr2=1414,1415,1414,1415,
&end
#
# 94 GLN HB+ 94 GLN HG+ 3.50 (# 1162:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1411,1412,
igr2=1414,1415,
&end
#
# 90 ILE QG2 94 GLN HG+ 3.50 (# 1163:20 Unique 3.31, 5.27 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1354,1355,1356,
igr2=1414,1415,
&end
#
# 0 AMB 20-2:1164 94 GLN HG- 3.50 (# 1164:20 Single Ambig)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1409,1400,1401,
igr2=1414,1415,
&end
#
# 94 GLN HB+ 94 GLN HG- 3.50 (# 1165:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1411,1412,
igr2=1414,1415,
&end
#
# 0 AMB 20-2:1167 109 VAL HB 3.50 (# 1167:20 Single Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1703,1704,1705,1691,1692,1693,
&end
#
# 109 VAL MG1 109 VAL HB 3.50 (# 1168:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1168, nxpk= 20, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1687,1688,1689,
&end
#
# 137 LEU MD1 109 VAL HB 4.50 (# 1169:20 Unique 2.18, 3.16 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2104,2105,2106,
&end
#
# 109 VAL HA 109 VAL HB 5.50 (# 1170:20 Unique 3.03, 3.03 A)
&rst
ixpk= 1170, nxpk= 20, iat=1683,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 VAL MG1 116 VAL HB 3.50 (# 1171:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1771,1772,1773,
&end
#
# 0 AMB 20-2:1173 0 AMB 20-1:1173 3.00 (# 1173:20 Double Ambig)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1041,1042,1043,1775,1776,1777,
igr2=1009,1010,1769,
&end
#
# 88 LYS QD 88 LYS HB+ 3.50 (# 1175:20 Unique 2.38, 3.04 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1319,1320,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 3.00 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 271,2263,
igr2= 322, 323,2265,2266,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 4.50 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2274,2275, 331, 332,
igr2=2265,2266, 322, 323,
&end
#
# 22 LYS HA 22 LYS HB+ 3.50 (# 1178:20 Unique 2.59, 2.83 A)
&rst
ixpk= 1178, nxpk= 20, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 322, 323,
&end
#
# 30 LEU MD1 146 LYS HB+ 3.50 (# 1179:20 Unique 3.76, 5.38 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 450, 451, 452,
igr2=2265,2266,
&end
#
# 147 LYS HA 147 LYS HB+ 3.00 (# 1180:20 Unique 2.48, 2.79 A)
&rst
ixpk= 1180, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2287,2288,
&end
#
# 0 AMB 20-2:1181 0 AMB 20-1:1181 3.00 (# 1181:20 Double Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2293,2294,2213,2214,
igr2=2287,2288,2265,2266,
&end
#
# 0 AMB 20-2:1182 0 AMB 20-1:1182 3.00 (# 1182:20 Double Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2227,2263,
igr2=2287,2288,2265,2266,
&end
#
# 0 AMB 20-2:1183 0 AMB 20-1:1183 4.50 (# 1183:20 Double Ambig)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2274,2275, 188, 189,
igr2=2265,2266,1769,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 3.50 (# 1184:20 Double Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 450, 451, 452,1794,1795,1796,
igr2=2265,2266,1769,
&end
#
# 80 VAL MG1 80 VAL HB 3.50 (# 1185:20 Unique 2.43, 2.66 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1188,1189,1190,
&end
#
# 80 VAL MG2 80 VAL HB 3.50 (# 1186:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1192,1193,1194,
&end
#
# 91 ILE QG2 88 LYS HB+ 5.50 (# 1188:20 Unique 6.24, 7.42 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:1189 0 AMB 20-1:1189 3.00 (# 1189:20 Double Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2210,2211,2268,2269,2213,2214,
igr2=2207,2208,2265,2266,
&end
#
# 0 AMB 20-2:1190 0 AMB 20-1:1190 3.00 (# 1190:20 Double Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2210,2211,2268,2269, 325, 326,
igr2=2207,2208,2265,2266, 322, 323,
&end
#
# 0 AMB 20-2:1191 0 AMB 20-1:1191 3.50 (# 1191:20 Double Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 320,1498,
igr2= 322, 323,1558,
&end
#
# 0 AMB 20-2:1192 0 AMB 20-1:1192 3.00 (# 1192:20 Double Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2210,2211, 325, 326,
igr2=2207,2208, 322, 323,
&end
#
# 143 LYS HA 146 LYS HB- 3.50 (# 1193:20 Unique 2.37, 3.46 A)
&rst
ixpk= 1193, nxpk= 20, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2265,2266,
&end
#
# 0 AMB 20-2:1194 0 AMB 20-1:1194 3.00 (# 1194:20 Double Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1564,1565,1566,2055,2056,2057,
igr2=1186,1769,
&end
#
# 68 PRO HG+ 68 PRO HB+ 3.00 (# 1197:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1006,1007,
igr2=1009,1010,
&end
#
# 143 LYS HA 143 LYS HB+ 3.50 (# 1198:20 Unique 2.42, 2.79 A)
&rst
ixpk= 1198, nxpk= 20, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2207,2208,
&end
#
# 102 VAL MG2 102 VAL HB 3.00 (# 1199:20 Unique 2.26, 2.62 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1564,1565,1566,
&end
#
# 3 ILE HG1- 1 MET HG+ 4.50 (# 1200:20 Unique 2.26, 3.53 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 43, 44,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG+ 4.50 (# 1201:20 Unique 2.94, 3.49 A)
&rst
ixpk= 1201, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 11, 12,
&end
#
# 145 LEU MD1 1 MET HG+ 3.00 (# 1202:20 Unique 2.36, 4.17 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2251,2252,2253,
igr2= 11, 12,
&end
#
# 3 ILE QD1 1 MET HG+ 4.50 (# 1203:20 Unique 2.83, 4.33 A)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 46, 47, 48,
igr2= 11, 12,
&end
#
# 1 MET HB- 1 MET HG+ 3.00 (# 1204:20 Unique 2.38, 2.59 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:1205 0 AMB 20-1:1205 3.00 (# 1205:20 Double Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 8, 9, 15, 16, 17,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:1206 52 VAL HB 3.00 (# 1206:20 Single Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 761, 762, 763, 757, 758, 759,
&end
#
# 43 PRO HD- 43 PRO HB- 3.50 (# 1207:20 Unique 2.63, 3.61 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 630, 631,
igr2= 636, 637,
&end
#
# 43 PRO HD+ 43 PRO HB+ 4.50 (# 1208:20 Unique 2.63, 3.61 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 630, 631,
igr2= 636, 637,
&end
#
# 43 PRO HD- 43 PRO HB+ 4.50 (# 1209:20 Unique 2.63, 3.61 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 630, 631,
igr2= 636, 637,
&end
#
# 43 PRO HA 43 PRO HB+ 3.50 (# 1213:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1213, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 636, 637,
&end
#
# 43 PRO HA 43 PRO HB- 4.50 (# 1215:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1215, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 636, 637,
&end
#
# 0 AMB 20-2:1216 39 VAL HB 3.50 (# 1216:20 Single Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 120, 574,
&end
#
# 90 ILE QG2 39 VAL HB 3.50 (# 1217:20 Unique 2.27, 4.26 A)
&rst
ixpk= 1217, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1354,1355,1356,
&end
#
# 39 VAL MG1 39 VAL HB 3.50 (# 1218:20 Unique 2.26, 2.65 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 578, 579, 580,
&end
#
# 39 VAL MG2 39 VAL HB 3.00 (# 1219:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1219, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 582, 583, 584,
&end
#
# 1 MET HE 150 ARG HB- 4.50 (# 1223:20 Unique 2.37, 4.77 A)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 15, 16, 17,
igr2=2345,2346,
&end
#
# 150 ARG HA 150 ARG HB- 3.50 (# 1224:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1224, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2345,2346,
&end
#
# 58 LYS HA 58 LYS HB+ 5.50 (# 1225:20 Unique 2.52, 2.79 A)
&rst
ixpk= 1225, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 850, 851,
&end
#
# 58 LYS HG+ 58 LYS HB+ 4.50 (# 1227:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 850, 851,
&end
#
# 150 ARG HA 150 ARG HB+ 3.50 (# 1228:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1228, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2345,2346,
&end
#
# 150 ARG HD+ 150 ARG HB+ 5.50 (# 1229:20 Unique 2.38, 3.38 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2351,2352,
igr2=2345,2346,
&end
#
# 150 ARG HG+ 150 ARG HB+ 3.00 (# 1231:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2348,2349,
igr2=2345,2346,
&end
#
# 106 LYS HA 106 LYS HB+ 4.50 (# 1232:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1232, nxpk= 20, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1627,1628,
&end
#
# 150 ARG HG+ 150 ARG HB- 3.00 (# 1234:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2348,2349,
igr2=2345,2346,
&end
#
# 58 LYS HA 58 LYS HB- 5.50 (# 1235:20 Unique 2.52, 2.79 A)
&rst
ixpk= 1235, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 850, 851,
&end
#
# 58 LYS HG+ 58 LYS HB- 4.50 (# 1237:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 850, 851,
&end
#
# 106 LYS HG+ 106 LYS HB+ 3.50 (# 1238:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1630,1631,
igr2=1627,1628,
&end
#
# 106 LYS HD+ 106 LYS HB+ 5.50 (# 1239:20 Unique 2.43, 3.26 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1633,1634,
igr2=1627,1628,
&end
#
# 20 LEU HB+ 58 LYS HB- 7.00 (# 1240:20 Unique 6.20, 7.56 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 283, 284,
igr2= 850, 851,
&end
#
# 149 ARG HA 149 ARG HB+ 3.50 (# 1247:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1247, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2321,2322,
&end
#
# 0 AMB 20-2:1249 0 AMB 20-1:1249 3.00 (# 1249:20 Double Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2324,2325,2213,2214,
igr2=2321,2322,2137,2138,
&end
#
# 0 AMB 20-2:1250 0 AMB 20-1:1250 3.50 (# 1250:20 Double Ambig)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2135,2082,2343,
igr2=2137,2138,2321,2322,
&end
#
# 149 ARG HA 149 ARG HB- 3.50 (# 1251:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1251, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2321,2322,
&end
#
# 0 AMB 20-2:1252 149 ARG HB- 4.50 (# 1252:20 Single Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2327,2328,2351,2352,
igr2=2321,2322,
&end
#
# 149 ARG HG+ 149 ARG HB- 3.00 (# 1254:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2324,2325,
igr2=2321,2322,
&end
#
# 57 GLU HA 57 GLU HB+ 3.50 (# 1255:20 Unique 2.48, 2.78 A)
&rst
ixpk= 1255, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836,
&end
#
# 57 GLU HG+ 57 GLU HB+ 3.50 (# 1256:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 838, 839,
igr2= 835, 836,
&end
#
# 0 AMB 20-2:1258 0 AMB 20-1:1258 3.50 (# 1258:20 Double Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2140,2141,2210,2211,
igr2=2137,2138,2137,2138,
&end
#
# 57 GLU HG+ 57 GLU HB- 3.50 (# 1259:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 838, 839,
igr2= 835, 836,
&end
#
# 0 AMB 20-2:1260 0 AMB 20-1:1260 3.50 (# 1260:20 Double Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1506,1507, 405, 406,
igr2=1500,1501, 399, 400,
&end
#
# 133 GLU HA 133 GLU HB+ 4.50 (# 1261:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1261, nxpk= 20, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2035,2036,
&end
#
# 133 GLU HG+ 133 GLU HB+ 3.50 (# 1263:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2038,2039,
igr2=2035,2036,
&end
#
# 0 AMB 20-2:1264 0 AMB 20-1:1264 3.50 (# 1264:20 Double Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 445, 446, 448,2197,2198,2199,
igr2= 423, 424, 423, 424, 423, 424,
&end
#
# 28 GLU HA 28 GLU HB+ 3.50 (# 1265:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1265, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 423, 424,
&end
#
# 24 ILE HA 27 ARG HB+ 4.50 (# 1267:20 Unique 2.48, 3.68 A)
&rst
ixpk= 1267, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 3.00 (# 1268:20 Double Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1506,1507, 405, 406,
igr2=1500,1501, 399, 400,
&end
#
# 57 GLU HA 57 GLU HB- 3.50 (# 1269:20 Unique 2.48, 2.78 A)
&rst
ixpk= 1269, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 835, 836,
&end
#
# 28 GLU HA 28 GLU HB- 3.50 (# 1271:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1271, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 423, 424,
&end
#
# 25 ALA HA 28 GLU HB- 4.50 (# 1272:20 Unique 2.60, 3.41 A)
&rst
ixpk= 1272, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 423, 424,
&end
#
# 28 GLU HG+ 28 GLU HB- 3.50 (# 1273:20 Unique 2.40, 2.60 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 426, 427,
igr2= 423, 424,
&end
#
# 0 AMB 20-2:1274 0 AMB 20-1:1274 3.50 (# 1274:20 Double Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1390,1391,1392,1881,1882,
igr2=1500,1501, 771, 772,
&end
#
# 0 AMB 20-2:1275 0 AMB 20-1:1275 3.50 (# 1275:20 Double Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1498,1388,
igr2=1500,1501,1500,1501,
&end
#
# 99 ARG HG- 99 ARG HB+ 3.50 (# 1276:20 Unique 2.20, 2.75 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1503,1504,
igr2=1500,1501,
&end
#
# 0 AMB 20-2:1277 0 AMB 20-1:1277 3.50 (# 1277:20 Double Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1503,1504, 355,
igr2=1500,1501, 361, 362,
&end
#
# 0 AMB 20-2:1278 99 ARG HB- 4.50 (# 1278:20 Single Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1498,1388,
igr2=1500,1501,
&end
#
# 92 ALA MB 99 ARG HB- 4.50 (# 1279:20 Unique 2.14, 3.81 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1390,1391,1392,
igr2=1500,1501,
&end
#
# 94 GLN HA 94 GLN HB- 3.50 (# 1281:20 Unique 2.36, 2.39 A)
&rst
ixpk= 1281, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1411,1412,
&end
#
# 80 VAL MG2 101 LYS HD+ 5.50 (# 1283:20 Unique 2.43, 4.43 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1542,1543,
&end
#
# 94 GLN HA 94 GLN HB+ 3.50 (# 1284:20 Unique 2.36, 2.39 A)
&rst
ixpk= 1284, nxpk= 20, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1411,1412,
&end
#
# 94 GLN HG+ 94 GLN HB+ 4.50 (# 1285:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1414,1415,
igr2=1411,1412,
&end
#
# 94 GLN HG- 94 GLN HB+ 3.50 (# 1286:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1414,1415,
igr2=1411,1412,
&end
#
# 24 ILE HA 24 ILE HG1- 5.50 (# 1288:20 Unique 2.35, 2.60 A)
&rst
ixpk= 1288, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 361, 362,
&end
#
# 19 ALA HA 22 LYS HD+ 4.50 (# 1289:20 Unique 2.74, 3.80 A)
&rst
ixpk= 1289, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 328, 329,
&end
#
# 0 AMB 20-2:1290 0 AMB 20-1:1290 4.50 (# 1290:20 Double Ambig)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 320, 256,1983,
igr2= 328, 329, 328, 329, 185, 186,
&end
#
# 0 AMB 20-2:1291 0 AMB 20-1:1291 3.00 (# 1291:20 Double Ambig)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 182, 183, 325, 326,
igr2= 185, 186, 328, 329,
&end
#
# 0 AMB 20-2:1293 0 AMB 20-1:1293 4.50 (# 1293:20 Double Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 510, 511, 512,1771,1772,1773,
igr2= 328, 329, 185, 186,
&end
#
# 101 LYS HB+ 101 LYS HD+ 5.50 (# 1297:20 Unique 2.39, 2.98 A)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1542,1543,
&end
#
# 101 LYS HB- 101 LYS HD+ 4.50 (# 1298:20 Unique 2.39, 2.98 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1536,1537,
igr2=1542,1543,
&end
#
# 101 LYS HG- 101 LYS HD+ 3.50 (# 1299:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1539,1540,
igr2=1542,1543,
&end
#
# 0 AMB 20-2:1300 0 AMB 20-1:1300 3.00 (# 1300:20 Double Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 774, 775, 426, 427,
igr2= 771, 772, 399, 400,
&end
#
# 50 HIS HA 53 GLU HB- 4.50 (# 1301:20 Unique 2.19, 2.75 A)
&rst
ixpk= 1301, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 771, 772,
&end
#
# 124 ILE QD1 53 GLU HB- 3.50 (# 1302:20 Unique 2.21, 4.05 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1884,1885,1886,
igr2= 771, 772,
&end
#
# 0 AMB 20-2:1304 24 ILE HG1- 3.00 (# 1304:20 Single Ambig)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 364, 365, 366, 357, 358, 359,
igr2= 361, 362,
&end
#
# 24 ILE HA 24 ILE HG1+ 5.50 (# 1306:20 Unique 2.35, 2.60 A)
&rst
ixpk= 1306, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 361, 362,
&end
#
# 135 GLU HA 135 GLU HB+ 3.50 (# 1309:20 Unique 2.48, 2.78 A)
&rst
ixpk= 1309, nxpk= 20, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2069,2070,
&end
#
# 132 ASP HA 135 GLU HB+ 5.50 (# 1310:20 Unique 3.00, 3.45 A)
&rst
ixpk= 1310, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2069,2070,
&end
#
# 20 LEU QD1 135 GLU HB+ 3.00 (# 1311:20 Unique 2.24, 4.00 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 288, 289, 290,
igr2=2069,2070,
&end
#
# 124 ILE QD1 53 GLU HB+ 3.50 (# 1312:20 Unique 2.21, 4.05 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1884,1885,1886,
igr2= 771, 772,
&end
#
# 0 AMB 20-2:1315 0 AMB 20-1:1315 4.50 (# 1315:20 Double Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1536,1537,1627,1628,
igr2=1542,1543,1633,1634,
&end
#
# 97 ARG HA 97 ARG HB+ 3.50 (# 1316:20 Unique 2.56, 2.81 A)
&rst
ixpk= 1316, nxpk= 20, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1455,1456,
&end
#
# 97 ARG HD+ 97 ARG HB+ 3.50 (# 1317:20 Unique 2.49, 3.40 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1461,1462,
igr2=1455,1456,
&end
#
# 97 ARG HG- 97 ARG HB+ 3.50 (# 1319:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1458,1459,
igr2=1455,1456,
&end
#
# 97 ARG HA 97 ARG HB- 4.50 (# 1320:20 Unique 2.56, 2.81 A)
&rst
ixpk= 1320, nxpk= 20, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1455,1456,
&end
#
# 0 AMB 20-2:1321 0 AMB 20-1:1321 4.50 (# 1321:20 Double Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1461,1462,1428,1429,
igr2=1455,1456,1105,1106,
&end
#
# 97 ARG HG- 97 ARG HB- 3.50 (# 1323:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1458,1459,
igr2=1455,1456,
&end
#
# 50 HIS HA 0 AMB 20-1:1326 5.50 (# 1326:20 Single Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 771, 772, 728,
&end
#
# 0 AMB 20-2:1329 0 AMB 20-1:1329 3.00 (# 1329:20 Double Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1884,1885,1886,1877,1878,1879,
igr2=1881,1882,1881,1882,
&end
#
# 0 AMB 20-2:1330 0 AMB 20-1:1330 3.00 (# 1330:20 Double Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 387, 388, 774, 775,2087,2088,
igr2= 384, 385, 771, 772,2084,2085,
&end
#
# 72 GLU HA 75 GLU HB- 4.50 (# 1331:20 Unique 2.49, 3.52 A)
&rst
ixpk= 1331, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1119,1120,
&end
#
# 146 LYS HA 146 LYS HD+ 4.50 (# 1332:20 Unique 2.15, 4.25 A)
&rst
ixpk= 1332, nxpk= 20, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2271,2272,
&end
#
# 0 AMB 20-2:1333 0 AMB 20-1:1333 3.50 (# 1333:20 Double Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 450, 451, 452, 801, 802, 803, 234, 235,
igr2=2271,2272,1999,2000,
&end
#
# 0 AMB 20-2:1334 124 ILE HG1- 3.00 (# 1334:20 Single Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1884,1885,1886,1877,1878,1879,
igr2=1881,1882,
&end
#
# 71 GLU HA 71 GLU HB+ 4.50 (# 1335:20 Unique 2.52, 2.79 A)
&rst
ixpk= 1335, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 71 GLU HG+ 71 GLU HB+ 3.00 (# 1336:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1056,1057,
igr2=1053,1054,
&end
#
# 71 GLU HA 71 GLU HB- 4.50 (# 1339:20 Unique 2.52, 2.79 A)
&rst
ixpk= 1339, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 71 GLU HG+ 71 GLU HB- 3.50 (# 1340:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1056,1057,
igr2=1053,1054,
&end
#
# 0 AMB 20-2:1342 75 GLU HB- 3.00 (# 1342:20 Single Ambig)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1122,1123,1122,1123,
igr2=1119,1120,
&end
#
# 0 AMB 20-2:1343 55 LEU HG 3.00 (# 1343:20 Single Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 801, 802, 803, 234, 235,
&end
#
# 124 ILE QD1 128 LYS HD+ 5.50 (# 1344:20 Unique 6.65, 7.88 A)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1884,1885,1886,
igr2=1952,1953,
&end
#
# 0 AMB 20-2:1345 106 LYS HD- 3.00 (# 1345:20 Single Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1630,1631,1703,1704,1705,
igr2=1633,1634,
&end
#
# 71 GLU HG- 71 GLU HB+ 3.00 (# 1346:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1056,1057,
igr2=1053,1054,
&end
#
# 27 ARG HG- 26 GLU HB+ 5.50 (# 1347:20 Unique 3.86, 6.10 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 402, 403,
igr2= 384, 385,
&end
#
# 129 GLN HA 128 LYS HD+ 3.50 (# 1348:20 Unique 2.80, 3.82 A)
&rst
ixpk= 1348, nxpk= 20, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1952,1953,
&end
#
# 0 AMB 20-2:1349 0 AMB 20-1:1349 3.00 (# 1349:20 Double Ambig)
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1630,1631,1703,1704,1705,
igr2=1633,1634,1633,1634,
&end
#
# 137 LEU MD1 106 LYS HG+ 4.50 (# 1350:20 Unique 4.12, 5.62 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2104,2105,2106,
igr2=1630,1631,
&end
#
# 147 LYS HA 147 LYS HD+ 4.50 (# 1352:20 Unique 4.24, 4.59 A)
&rst
ixpk= 1352, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2293,2294,
&end
#
# 0 AMB 20-2:1353 0 AMB 20-1:1353 3.00 (# 1353:20 Double Ambig)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2287,2288,2137,2138,2265,2266,
igr2=2293,2294,2213,2214,2213,2214,
&end
#
# 0 AMB 20-2:1354 0 AMB 20-1:1354 3.00 (# 1354:20 Double Ambig)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1949,1950,2290,2291,2210,2211,
igr2=1952,1953,2293,2294,2213,2214,
&end
#
# 0 AMB 20-2:1355 0 AMB 20-1:1355 3.00 (# 1355:20 Double Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1955,1956,2216,2217,2296,2297,
igr2=1952,1953,2213,2214,2293,2294,
&end
#
# 0 AMB 20-2:1356 0 AMB 20-1:1356 3.50 (# 1356:20 Double Ambig)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1971,1972,2164,2165,
igr2=1952,1953,2213,2214,
&end
#
# 143 LYS HA 143 LYS HD+ 4.50 (# 1357:20 Unique 2.20, 3.82 A)
&rst
ixpk= 1357, nxpk= 20, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2213,2214,
&end
#
# 46 LYS HE+ 46 LYS HD+ 3.00 (# 1358:20 Unique 2.38, 2.72 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 677, 678,
igr2= 674, 675,
&end
#
# 139 ARG HD+ 139 ARG HG- 3.50 (# 1360:20 Unique 2.37, 2.69 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2143,2144,
igr2=2140,2141,
&end
#
# 0 AMB 20-2:1361 0 AMB 20-1:1361 3.00 (# 1361:20 Double Ambig)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1071,1072,2072,2073,
igr2=1068,1069,2140,2141,
&end
#
# 72 GLU HA 72 GLU HB+ 3.00 (# 1362:20 Unique 2.40, 2.43 A)
&rst
ixpk= 1362, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1068,1069,
&end
#
# 46 LYS HB+ 46 LYS HD+ 3.50 (# 1363:20 Unique 2.41, 3.03 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 668, 669,
igr2= 674, 675,
&end
#
# 72 GLU HG+ 72 GLU HB- 3.00 (# 1368:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1071,1072,
igr2=1068,1069,
&end
#
# 72 GLU HA 72 GLU HB- 3.00 (# 1369:20 Unique 2.40, 2.43 A)
&rst
ixpk= 1369, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 4.50 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2255,2256,2257,2183,2184,2185,
igr2=2229,2230,2229,2230,
&end
#
# 0 AMB 20-2:1374 139 ARG HG- 3.50 (# 1374:20 Single Ambig)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 365, 366, 357, 358, 359,
igr2=2140,2141,
&end
#
# 90 ILE HA 90 ILE HG1- 4.50 (# 1375:20 Unique 2.65, 2.76 A)
&rst
ixpk= 1375, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1358,1359,
&end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 3.00 (# 1376:20 Double Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1361,1362,1363,1373,1374,1375,
igr2=1358,1359,1377,1378,
&end
#
# 0 AMB 20-2:1377 0 AMB 20-1:1377 3.50 (# 1377:20 Double Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2135,2082,
igr2=2140,2141,2140,2141,
&end
#
# 139 ARG HD+ 139 ARG HG+ 3.50 (# 1378:20 Unique 2.37, 2.69 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2143,2144,
igr2=2140,2141,
&end
#
# 0 AMB 20-2:1380 0 AMB 20-1:1380 3.50 (# 1380:20 Double Ambig)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 364, 365, 366, 357, 358, 359,
igr2=2140,2141,2140,2141,
&end
#
# 141 LEU HA 144 GLN HB+ 5.50 (# 1381:20 Unique 2.38, 3.49 A)
&rst
ixpk= 1381, nxpk= 20, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2229,2230,
&end
#
# 144 GLN HA 144 GLN HB+ 3.50 (# 1382:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1382, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:1384 144 GLN HB- 3.50 (# 1384:20 Single Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2255,2256,2257,2183,2184,2185,
igr2=2229,2230,
&end
#
# 90 ILE HA 90 ILE HG1+ 4.50 (# 1386:20 Unique 2.65, 2.76 A)
&rst
ixpk= 1386, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1358,1359,
&end
#
# 0 AMB 20-2:1388 0 AMB 20-1:1388 3.50 (# 1388:20 Double Ambig)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1361,1362,1363,1373,1374,1375,
igr2=1358,1359,1377,1378,
&end
#
# 144 GLN HA 144 GLN HB- 3.00 (# 1389:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1389, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2229,2230,
&end
#
# 126 ILE HB 126 ILE HG1- 4.50 (# 1391:20 Unique 2.41, 2.44 A)
&rst
ixpk= 1391, nxpk= 20, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1912,1913,
&end
#
# 126 ILE QG2 126 ILE HG1- 4.50 (# 1392:20 Unique 2.42, 3.49 A)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1908,1909,1910,
igr2=1912,1913,
&end
#
# 126 ILE QD1 126 ILE HG1- 3.00 (# 1393:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1915,1916,1917,
igr2=1912,1913,
&end
#
# 126 ILE HB 126 ILE HG1+ 4.50 (# 1394:20 Unique 2.41, 2.44 A)
&rst
ixpk= 1394, nxpk= 20, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1912,1913,
&end
#
# 126 ILE QG2 126 ILE HG1+ 4.50 (# 1395:20 Unique 2.42, 3.49 A)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1908,1909,1910,
igr2=1912,1913,
&end
#
# 126 ILE QD1 126 ILE HG1+ 3.00 (# 1396:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1915,1916,1917,
igr2=1912,1913,
&end
#
# 0 AMB 20-2:1397 0 AMB 20-1:1397 3.00 (# 1397:20 Double Ambig)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1971,1972,2232,2233,
igr2=1968,1969,2161,2162,
&end
#
# 117 LEU MD1 129 GLN HB- 4.50 (# 1398:20 Unique 2.37, 3.39 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1790,1791,1792,
igr2=1968,1969,
&end
#
# 89 GLN HA 89 GLN HB- 3.00 (# 1399:20 Unique 2.47, 2.80 A)
&rst
ixpk= 1399, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1335,1336,
&end
#
# 92 ALA MB 89 GLN HB- 4.50 (# 1400:20 Unique 4.37, 5.91 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1390,1391,1392,
igr2=1335,1336,
&end
#
# 117 LEU MD1 129 GLN HB+ 3.50 (# 1401:20 Unique 2.37, 3.39 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1790,1791,1792,
igr2=1968,1969,
&end
#
# 109 VAL MG1 140 GLN HB+ 3.50 (# 1411:20 Unique 2.24, 2.82 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1687,1688,1689,
igr2=2161,2162,
&end
#
# 0 AMB 20-2:1412 0 AMB 20-1:1412 3.00 (# 1412:20 Double Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1966,2159,2097,
igr2=1968,1969,2161,2162,2161,2162,
&end
#
# 0 AMB 20-2:1413 0 AMB 20-1:1413 3.50 (# 1413:20 Double Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1971,1972,2164,2165,
igr2=1968,1969,2161,2162,
&end
#
# 107 GLU HA 107 GLU HB+ 3.50 (# 1415:20 Unique 2.42, 2.73 A)
&rst
ixpk= 1415, nxpk= 20, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1649,1650,
&end
#
# 109 VAL MG2 140 GLN HB- 5.50 (# 1418:20 Unique 3.64, 4.97 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1691,1692,1693,
igr2=2161,2162,
&end
#
# 0 AMB 20-2:1419 140 GLN HB- 3.00 (# 1419:20 Single Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2159,2097,
igr2=2161,2162,
&end
#
# 109 VAL MG1 140 GLN HB- 3.50 (# 1420:20 Unique 2.24, 2.82 A)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1687,1688,1689,
igr2=2161,2162,
&end
#
# 140 GLN HG+ 140 GLN HB- 3.50 (# 1421:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2164,2165,
igr2=2161,2162,
&end
#
# 79 LEU HG 3 ILE HG1+ 4.50 (# 1425:20 Unique 4.11, 5.07 A)
&rst
ixpk= 1425, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 43, 44,
&end
#
# 107 GLU HA 107 GLU HB- 4.50 (# 1426:20 Unique 2.42, 2.73 A)
&rst
ixpk= 1426, nxpk= 20, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1649,1650,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 5.50 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1207,1208,1209,1172,1173,1174,
igr2= 43, 44, 43, 44,
&end
#
# 0 AMB 20-2:1430 0 AMB 20-1:1430 4.50 (# 1430:20 Double Ambig)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 848, 887,
igr2= 856, 857, 856, 857,
&end
#
# 58 LYS HE+ 58 LYS HD+ 5.50 (# 1431:20 Unique 2.37, 2.61 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2= 856, 857,
&end
#
# 58 LYS HE- 58 LYS HD+ 4.50 (# 1432:20 Unique 2.37, 2.61 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 859, 860,
igr2= 856, 857,
&end
#
# 58 LYS HB+ 58 LYS HD+ 4.50 (# 1433:20 Unique 2.54, 3.29 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 850, 851,
igr2= 856, 857,
&end
#
# 58 LYS HG- 58 LYS HD- 3.50 (# 1435:20 Unique 2.35, 2.61 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 853, 854,
igr2= 856, 857,
&end
#
# 0 AMB 20-2:1437 0 AMB 20-1:1437 3.00 (# 1437:20 Double Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 46, 47, 48, 923, 924, 925,
igr2= 43, 44, 217, 218,
&end
#
# 3 ILE QG2 3 ILE HG1- 4.50 (# 1438:20 Unique 2.64, 3.60 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 39, 40, 41,
igr2= 43, 44,
&end
#
# 79 LEU HB+ 3 ILE HG1- 4.50 (# 1439:20 Unique 2.25, 3.58 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1167,1168,
igr2= 43, 44,
&end
#
# 3 ILE QG2 3 ILE HG1+ 4.50 (# 1441:20 Unique 2.64, 3.60 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 39, 40, 41,
igr2= 43, 44,
&end
#
# 86 GLN HA 86 GLN HB+ 4.50 (# 1442:20 Unique 2.45, 2.76 A)
&rst
ixpk= 1442, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1279,1280,
&end
#
# 86 GLN HG+ 86 GLN HB+ 4.50 (# 1443:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1282,1283,
igr2=1279,1280,
&end
#
# 86 GLN HA 86 GLN HB- 4.50 (# 1444:20 Unique 2.45, 2.76 A)
&rst
ixpk= 1444, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1279,1280,
&end
#
# 86 GLN HG+ 86 GLN HB- 4.50 (# 1445:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1282,1283,
igr2=1279,1280,
&end
#
# 86 GLN HG- 86 GLN HB- 4.50 (# 1446:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1282,1283,
igr2=1279,1280,
&end
#
# 58 LYS HG- 58 LYS HD+ 3.50 (# 1447:20 Unique 2.35, 2.61 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 853, 854,
igr2= 856, 857,
&end
#
# 0 AMB 20-2:1449 58 LYS HD- 4.50 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 848, 887,
igr2= 856, 857,
&end
#
# 58 LYS HE+ 58 LYS HD- 4.50 (# 1450:20 Unique 2.37, 2.61 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 859, 860,
igr2= 856, 857,
&end
#
# 58 LYS HE- 58 LYS HD- 5.50 (# 1451:20 Unique 2.37, 2.61 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2= 856, 857,
&end
#
# 27 ARG HA 27 ARG HG+ 3.50 (# 1458:20 Unique 3.10, 3.66 A)
&rst
ixpk= 1458, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 402, 403,
&end
#
# 27 ARG HD+ 27 ARG HG+ 3.00 (# 1459:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 405, 406,
igr2= 402, 403,
&end
#
# 27 ARG HB+ 27 ARG HG+ 3.00 (# 1460:20 Unique 2.30, 2.65 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 399, 400,
igr2= 402, 403,
&end
#
# 24 ILE HG1- 27 ARG HG+ 3.50 (# 1461:20 Unique 3.69, 4.72 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 361, 362,
igr2= 402, 403,
&end
#
# 27 ARG HA 27 ARG HG- 3.50 (# 1462:20 Unique 3.10, 3.66 A)
&rst
ixpk= 1462, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 402, 403,
&end
#
# 27 ARG HD+ 27 ARG HG- 3.00 (# 1463:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 405, 406,
igr2= 402, 403,
&end
#
# 27 ARG HB+ 27 ARG HG- 3.00 (# 1464:20 Unique 2.30, 2.65 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 399, 400,
igr2= 402, 403,
&end
#
# 105 LEU MD1 105 LEU HG 3.00 (# 1466:20 Unique 2.41, 2.68 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1613,1614,1615,
&end
#
# 0 AMB 20-2:1469 0 AMB 20-1:1469 3.50 (# 1469:20 Double Ambig)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 636, 637,2178,2179,2161,2162,
igr2= 633, 634,2102,
&end
#
# 43 PRO HD- 43 PRO HG+ 3.00 (# 1470:20 Unique 2.35, 2.62 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 630, 631,
igr2= 633, 634,
&end
#
# 43 PRO HA 43 PRO HG+ 4.50 (# 1471:20 Unique 2.59, 3.27 A)
&rst
ixpk= 1471, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:1472 0 AMB 20-1:1472 3.00 (# 1472:20 Double Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 630, 631, 995, 996,
igr2= 633, 634, 633, 634,
&end
#
# 0 AMB 20-2:1473 0 AMB 20-1:1473 3.00 (# 1473:20 Double Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 636, 637,2178,2179,2161,2162,
igr2= 633, 634,2102,
&end
#
# 24 ILE QG2 27 ARG HG+ 3.50 (# 1474:20 Unique 3.13, 5.32 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 357, 358, 359,
igr2= 402, 403,
&end
#
# 28 GLU HG- 27 ARG HG- 5.50 (# 1475:20 Unique 2.41, 5.79 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 426, 427,
igr2= 402, 403,
&end
#
# 4 ILE QD1 73 LEU HG 4.50 (# 1476:20 Unique 2.14, 2.68 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 65, 66, 67,
&end
#
# 0 AMB 20-2:1477 0 AMB 20-1:1477 5.50 (# 1477:20 Double Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 229,2048,
igr2= 286,1611,
&end
#
# 106 LYS HE+ 105 LEU HG 5.50 (# 1478:20 Unique 3.69, 4.66 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1636,1637,
&end
#
# 106 LYS HE- 105 LEU HG 5.50 (# 1479:20 Unique 3.69, 4.66 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1636,1637,
&end
#
# 0 AMB 20-2:1480 105 LEU HG 4.50 (# 1480:20 Single Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2102,1238,1239,1240,
&end
#
# 116 VAL MG2 105 LEU HG 4.50 (# 1481:20 Unique 2.52, 3.74 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1775,1776,1777,
&end
#
# 105 LEU HB+ 105 LEU HG 3.00 (# 1482:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1608,1609,
&end
#
# 0 AMB 20-2:1483 0 AMB 20-1:1483 4.50 (# 1483:20 Double Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1999,2000,1627,1628, 796, 797,
igr2= 286,1611,
&end
#
# 17 ALA HA 20 LEU HG 5.50 (# 1484:20 Unique 3.71, 5.26 A)
&rst
ixpk= 1484, nxpk= 20, iat= 246, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1485 20 LEU HG 5.50 (# 1485:20 Single Ambig)
&rst
ixpk= 1485, nxpk= 20, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2069,2070,2072,2073,2050,2051,
&end
#
# 0 AMB 20-2:1486 73 LEU HG 5.50 (# 1486:20 Single Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1081,1134,1135,
&end
#
# 73 LEU HB- 73 LEU HG 3.50 (# 1487:20 Unique 2.43, 2.74 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1083,1084,
&end
#
# 73 LEU MD1 73 LEU HG 3.50 (# 1488:20 Unique 2.34, 2.63 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1088,1089,1090,
&end
#
# 0 AMB 20-2:1489 0 AMB 20-1:1489 3.00 (# 1489:20 Double Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 450, 451, 452,1092,1093,1094,
igr2= 448, 527, 528,
&end
#
# 4 ILE HB 4 ILE HG1- 3.50 (# 1490:20 Unique 2.52, 2.81 A)
&rst
ixpk= 1490, nxpk= 20, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 62, 63,
&end
#
# 4 ILE QD1 4 ILE HG1- 3.00 (# 1491:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 65, 66, 67,
igr2= 62, 63,
&end
#
# 73 LEU MD1 4 ILE HG1- 3.50 (# 1492:20 Unique 3.00, 4.63 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1088,1089,1090,
igr2= 62, 63,
&end
#
# 0 AMB 20-2:1493 0 AMB 20-1:1493 7.00 (# 1493:20 Double Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1767, 271,2097,
igr2=1611, 286,
&end
#
# 133 GLU HG- 105 LEU HG 7.00 (# 1494:20 Unique 6.52, 7.47 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2038,2039,
&end
#
# 0 AMB 20-2:1496 145 LEU HG 5.50 (# 1496:20 Single Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2348,2349,2268,2269,
&end
#
# 137 LEU HA 137 LEU HG 4.50 (# 1497:20 Unique 2.63, 2.73 A)
&rst
ixpk= 1497, nxpk= 20, iat=2097,2102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1498 145 LEU HG 5.50 (# 1498:20 Single Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2348,2349,2268,2269,
&end
#
# 150 ARG HD+ 150 ARG HG+ 3.50 (# 1501:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2351,2352,
igr2=2348,2349,
&end
#
# 150 ARG HB+ 150 ARG HG+ 3.00 (# 1502:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2345,2346,
igr2=2348,2349,
&end
#
# 150 ARG HA 150 ARG HG+ 4.50 (# 1503:20 Unique 2.43, 3.52 A)
&rst
ixpk= 1503, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2348,2349,
&end
#
# 73 LEU MD2 73 LEU HG 3.00 (# 1504:20 Unique 2.42, 2.64 A)
&rst
ixpk= 1504, nxpk= 20, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1092,1093,1094,
&end
#
# 77 ALA MB 4 ILE HG1- 3.50 (# 1505:20 Unique 2.31, 3.23 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1145,1146,1147,
igr2= 62, 63,
&end
#
# 0 AMB 20-2:1506 79 LEU HG 4.50 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 43, 44,1539,1540, 37,
&end
#
# 15 PRO HB- 62 LEU HG 3.50 (# 1513:20 Unique 2.82, 4.07 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 220, 221,
&end
#
# 0 AMB 20-2:1514 62 LEU HG 3.50 (# 1514:20 Single Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 927, 928, 929, 220, 221,
&end
#
# 79 LEU HB+ 79 LEU HG 3.00 (# 1515:20 Unique 2.50, 2.79 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1167,1168,
&end
#
# 79 LEU MD2 79 LEU HG 3.50 (# 1516:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1176,1177,1178,
&end
#
# 145 LEU HB- 145 LEU HG 3.50 (# 1523:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2246,2247,
&end
#
# 35 ARG HD- 35 ARG HG+ 4.50 (# 1524:20 Unique 2.37, 2.68 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 60 ILE HA 60 ILE HG1- 5.50 (# 1526:20 Unique 2.44, 2.80 A)
&rst
ixpk= 1526, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 896,
&end
#
# 35 ARG HD+ 35 ARG HG- 4.50 (# 1527:20 Unique 2.37, 2.68 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 35 ARG HB+ 35 ARG HG- 3.50 (# 1528:20 Unique 2.19, 2.66 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:1529 0 AMB 20-1:1529 5.50 (# 1529:20 Double Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2274,2275, 530, 531,
igr2= 448, 527, 528,
&end
#
# 62 LEU HB- 62 LEU HG 4.50 (# 1532:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1532, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 918, 919,
&end
#
# 62 LEU QD1 62 LEU HG 3.50 (# 1533:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 923, 924, 925,
&end
#
# 0 AMB 20-2:1534 79 LEU HG 3.50 (# 1534:20 Single Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1172,1173,1174,1207,1208,1209,
&end
#
# 149 ARG HA 149 ARG HG+ 4.50 (# 1535:20 Unique 2.30, 3.07 A)
&rst
ixpk= 1535, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2324,2325,
&end
#
# 149 ARG HD+ 149 ARG HG+ 3.50 (# 1536:20 Unique 2.25, 2.68 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2327,2328,
igr2=2324,2325,
&end
#
# 0 AMB 20-2:1537 0 AMB 20-1:1537 3.00 (# 1537:20 Double Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2321,2322,2246,2247,
igr2=2324,2325,2324,2325,
&end
#
# 149 ARG HB- 149 ARG HG+ 3.00 (# 1538:20 Unique 2.21, 2.69 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2321,2322,
igr2=2324,2325,
&end
#
# 60 ILE HA 60 ILE HG1+ 5.50 (# 1540:20 Unique 2.44, 2.80 A)
&rst
ixpk= 1540, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 896,
&end
#
# 0 AMB 20-2:1542 0 AMB 20-1:1542 3.00 (# 1542:20 Double Ambig)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2251,2252,2253,2255,2256,2257,2104,2105,2106,2183,
2184,2185,
igr2=2249,2102,
&end
#
# 68 PRO HD+ 68 PRO HG+ 3.00 (# 1543:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1003,1004,
igr2=1006,1007,
&end
#
# 81 LEU HB+ 81 LEU MD1 5.50 (# 1544:20 Unique 2.33, 3.09 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1202,1203,
igr2=1207,1208,1209,
&end
#
# 0 AMB 20-2:1545 81 LEU MD1 3.50 (# 1545:20 Single Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1613,1614,1615,1170,
igr2=1207,1208,1209,
&end
#
# 141 LEU MD1 81 LEU MD1 4.50 (# 1546:20 Unique 2.15, 4.17 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2183,2184,2185,
igr2=1207,1208,1209,
&end
#
# 81 LEU HB- 81 LEU MD1 4.50 (# 1547:20 Unique 2.33, 3.09 A)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1202,1203,
igr2=1207,1208,1209,
&end
#
# 0 AMB 20-2:1548 81 LEU MD1 5.50 (# 1548:20 Single Ambig)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 46, 47, 48,2108,2109,2110,
igr2=1207,1208,1209,
&end
#
# 141 LEU HG 81 LEU MD1 4.50 (# 1549:20 Unique 2.77, 4.02 A)
&rst
ixpk= 1549, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1207,1208,1209,
&end
#
# 3 ILE QG2 81 LEU MD1 4.50 (# 1550:20 Unique 2.57, 4.19 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 39, 40, 41,
igr2=1207,1208,1209,
&end
#
# 0 AMB 20-2:1551 0 AMB 20-1:1551 4.50 (# 1551:20 Double Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 559, 560, 561, 612, 613, 614,
igr2=1006,1007,1006,1007,
&end
#
# 68 PRO HD- 68 PRO HG+ 3.50 (# 1552:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1003,1004,
igr2=1006,1007,
&end
#
# 68 PRO HB+ 68 PRO HG+ 3.00 (# 1553:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1009,1010,
igr2=1006,1007,
&end
#
# 70 THR MG2 68 PRO HG+ 4.50 (# 1554:20 Unique 2.67, 4.00 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1041,1042,1043,
igr2=1006,1007,
&end
#
# 117 LEU MD2 117 LEU HG 3.00 (# 1555:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1794,1795,1796,
&end
#
# 0 AMB 20-2:1556 145 LEU MD1 4.50 (# 1556:20 Single Ambig)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2244,2176,
igr2=2251,2252,2253,
&end
#
# 0 AMB 20-2:1557 0 AMB 20-1:1557 3.00 (# 1557:20 Double Ambig)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2249,2102, 15, 16, 17,
igr2=2251,2252,2253,2104,2105,2106,
&end
#
# 81 LEU MD1 145 LEU MD1 5.50 (# 1558:20 Unique 5.17, 7.52 A)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1207,1208,1209,
igr2=2251,2252,2253,
&end
#
# 134 LEU MD1 134 LEU HG 3.00 (# 1559:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1559, nxpk= 20, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2055,2056,2057,
&end
#
# 34 VAL MG1 22 LYS HG+ 3.50 (# 1560:20 Unique 3.76, 4.97 A)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 510, 511, 512,
igr2= 325, 326,
&end
#
# 97 ARG HA 97 ARG HG+ 5.50 (# 1561:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1561, nxpk= 20, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458,1459,
&end
#
# 97 ARG HD+ 97 ARG HG+ 3.00 (# 1562:20 Unique 2.34, 2.59 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1461,1462,
igr2=1458,1459,
&end
#
# 97 ARG HB+ 97 ARG HG+ 3.00 (# 1563:20 Unique 2.40, 2.74 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1455,1456,
igr2=1458,1459,
&end
#
# 97 ARG HA 97 ARG HG- 3.50 (# 1564:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1564, nxpk= 20, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1458,1459,
&end
#
# 98 TYR HB+ 97 ARG HG- 7.00 (# 1566:20 Unique 6.53, 7.30 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1479,1480,
igr2=1458,1459,
&end
#
# 99 ARG HG+ 97 ARG HG- 4.50 (# 1567:20 Unique 2.98, 4.77 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1503,1504,
igr2=1458,1459,
&end
#
# 0 AMB 20-2:1571 0 AMB 20-1:1571 3.50 (# 1571:20 Double Ambig)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2246,2247,1633,1634,
igr2=2251,2252,2253,2104,2105,2106,
&end
#
# 141 LEU HG 145 LEU MD1 5.50 (# 1572:20 Unique 4.27, 5.95 A)
&rst
ixpk= 1572, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2251,2252,2253,
&end
#
# 34 VAL MG1 22 LYS HG- 5.50 (# 1573:20 Unique 3.76, 4.97 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 510, 511, 512,
igr2= 325, 326,
&end
#
# 22 LYS HB+ 22 LYS HG+ 3.50 (# 1574:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 322, 323,
igr2= 325, 326,
&end
#
# 117 LEU HB+ 117 LEU HG 4.50 (# 1576:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1785,1786,
&end
#
# 97 ARG HD+ 97 ARG HG- 3.50 (# 1578:20 Unique 2.34, 2.59 A)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1461,1462,
igr2=1458,1459,
&end
#
# 99 ARG HD+ 97 ARG HG- 5.50 (# 1580:20 Unique 2.72, 4.43 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1506,1507,
igr2=1458,1459,
&end
#
# 22 LYS HA 22 LYS HG+ 4.50 (# 1582:20 Unique 2.33, 2.63 A)
&rst
ixpk= 1582, nxpk= 20, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 3 ILE QG2 141 LEU HG 5.50 (# 1584:20 Unique 5.62, 6.74 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41,
&end
#
# 99 ARG HA 99 ARG HG+ 3.50 (# 1585:20 Unique 2.45, 3.08 A)
&rst
ixpk= 1585, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:1586 0 AMB 20-1:1586 3.00 (# 1586:20 Double Ambig)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1500,1501,1558,
igr2=1503,1504,1503,1504,
&end
#
# 0 AMB 20-2:1587 141 LEU HG 5.50 (# 1587:20 Single Ambig)
&rst
ixpk= 1587, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2116,2244,1606,
&end
#
# 141 LEU HB+ 141 LEU HG 4.50 (# 1588:20 Unique 2.41, 2.78 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2178,2179,
&end
#
# 109 VAL MG2 141 LEU HG 5.50 (# 1590:20 Unique 2.59, 3.88 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1691,1692,1693,
&end
#
# 0 AMB 20-2:1591 141 LEU HG 4.50 (# 1591:20 Single Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1687,1688,1689,1613,1614,1615,
&end
#
# 0 AMB 20-2:1592 141 LEU HG 3.00 (# 1592:20 Single Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2183,2184,2185,2255,2256,2257,
&end
#
# 0 AMB 20-2:1593 141 LEU HG 5.50 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2108,2109,2110,2127,2128,2129,
&end
#
# 81 LEU MD1 141 LEU HG 3.50 (# 1594:20 Unique 2.77, 4.02 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1207,1208,1209,
&end
#
# 99 ARG HA 99 ARG HG- 5.50 (# 1596:20 Unique 2.45, 3.08 A)
&rst
ixpk= 1596, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:1597 99 ARG HG- 3.00 (# 1597:20 Single Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1500,1501,1558,
igr2=1503,1504,
&end
#
# 62 LEU HB+ 62 LEU QD1 4.50 (# 1599:20 Unique 2.32, 3.04 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 918, 919,
igr2= 923, 924, 925,
&end
#
# 0 AMB 20-2:1600 62 LEU QD1 3.00 (# 1600:20 Single Ambig)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 690, 691, 692, 217, 218,
igr2= 923, 924, 925,
&end
#
# 99 ARG HD+ 99 ARG HG+ 3.50 (# 1601:20 Unique 2.21, 2.65 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506,1507,
igr2=1503,1504,
&end
#
# 99 ARG HD+ 99 ARG HG- 3.50 (# 1602:20 Unique 2.21, 2.65 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506,1507,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:1603 62 LEU QD1 5.50 (# 1603:20 Single Ambig)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 799, 796, 797,
igr2= 923, 924, 925,
&end
#
# 51 ALA MB 62 LEU QD1 4.50 (# 1604:20 Unique 2.77, 3.90 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 745, 746, 747,
igr2= 923, 924, 925,
&end
#
# 0 AMB 20-2:1605 62 LEU QD1 3.00 (# 1605:20 Single Ambig)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 220, 221, 761, 762, 763,
igr2= 923, 924, 925,
&end
#
# 16 MET HG- 62 LEU QD1 4.50 (# 1606:20 Unique 2.39, 3.30 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 234, 235,
igr2= 923, 924, 925,
&end
#
# 52 VAL HA 62 LEU QD1 4.50 (# 1607:20 Unique 2.36, 3.28 A)
&rst
ixpk= 1607, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 923, 924, 925,
&end
#
# 68 PRO HG+ 73 LEU MD2 5.50 (# 1608:20 Unique 6.44, 7.86 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1006,1007,
igr2=1092,1093,1094,
&end
#
# 69 LEU HA 73 LEU MD2 3.50 (# 1609:20 Unique 2.40, 3.58 A)
&rst
ixpk= 1609, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1092,1093,1094,
&end
#
# 0 AMB 20-2:1610 73 LEU MD2 3.00 (# 1610:20 Single Ambig)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1086,1083,1084,
igr2=1092,1093,1094,
&end
#
# 4 ILE HG1- 73 LEU MD2 3.50 (# 1611:20 Unique 2.94, 4.85 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 62, 63,
igr2=1092,1093,1094,
&end
#
# 0 AMB 20-2:1612 73 LEU MD2 3.00 (# 1612:20 Single Ambig)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 559, 560, 561,1083,1084,
igr2=1092,1093,1094,
&end
#
# 0 AMB 20-2:1614 73 LEU MD2 3.00 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 58, 59, 60, 65, 66, 67,
igr2=1092,1093,1094,
&end
#
# 69 LEU HB+ 73 LEU MD2 5.50 (# 1616:20 Unique 3.95, 5.69 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1020,1021,
igr2=1092,1093,1094,
&end
#
# 0 AMB 20-2:1618 0 AMB 20-1:1618 3.00 (# 1618:20 Double Ambig)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1946,1947,2207,2208,2265,2266,
igr2=1949,1950,2210,2211,2268,2269,
&end
#
# 58 LYS HB+ 58 LYS HG+ 4.50 (# 1619:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 850, 851,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1620 0 AMB 20-1:1620 3.00 (# 1620:20 Double Ambig)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 856, 857, 850, 851,
igr2= 853, 854, 853, 854,
&end
#
# 58 LYS HA 58 LYS HG- 5.50 (# 1622:20 Unique 2.30, 2.72 A)
&rst
ixpk= 1622, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1623 58 LYS HG- 3.50 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 856, 857, 850, 851,
igr2= 853, 854,
&end
#
# 58 LYS HB+ 58 LYS HG- 5.50 (# 1625:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 850, 851,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1626 0 AMB 20-1:1626 3.50 (# 1626:20 Double Ambig)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2263,1966,2227,
igr2=2268,2269,1949,1950,2210,2211,
&end
#
# 143 LYS HA 0 AMB 20-1:1627 3.50 (# 1627:20 Single Ambig)
&rst
ixpk= 1627, nxpk= 20, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2210,2211,2268,2269,
&end
#
# 0 AMB 20-2:1628 0 AMB 20-1:1628 3.50 (# 1628:20 Double Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1955,1956,2274,2275,
igr2=1949,1950,2268,2269,
&end
#
# 30 LEU MD1 146 LYS HG+ 3.00 (# 1630:20 Unique 2.12, 3.92 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 450, 451, 452,
igr2=2268,2269,
&end
#
# 0 AMB 20-2:1631 0 AMB 20-1:1631 3.50 (# 1631:20 Double Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2263,1966,
igr2=2268,2269,1949,1950,
&end
#
# 0 AMB 20-2:1633 0 AMB 20-1:1633 3.00 (# 1633:20 Double Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1946,1947,2207,2208,2265,2266,
igr2=1949,1950,2210,2211,2268,2269,
&end
#
# 143 LYS HA 0 AMB 20-1:1634 4.50 (# 1634:20 Single Ambig)
&rst
ixpk= 1634, nxpk= 20, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2210,2211,2268,2269,
&end
#
# 30 LEU MD1 146 LYS HG- 3.00 (# 1635:20 Unique 2.12, 3.92 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 450, 451, 452,
igr2=2268,2269,
&end
#
# 0 AMB 20-2:1636 0 AMB 20-1:1636 3.00 (# 1636:20 Double Ambig)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2296,2297, 677, 678,
igr2=2290,2291, 671, 672,
&end
#
# 130 THR HA 117 LEU MD1 4.50 (# 1637:20 Unique 3.20, 4.76 A)
&rst
ixpk= 1637, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1790,1791,1792,
&end
#
# 129 GLN HG+ 117 LEU MD1 5.50 (# 1638:20 Unique 3.92, 5.32 A)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1971,1972,
igr2=1790,1791,1792,
&end
#
# 129 GLN HB+ 117 LEU MD1 3.50 (# 1639:20 Unique 2.37, 3.39 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1968,1969,
igr2=1790,1791,1792,
&end
#
# 117 LEU HB+ 117 LEU MD1 3.50 (# 1640:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1785,1786,
igr2=1790,1791,1792,
&end
#
# 117 LEU HB- 117 LEU MD1 3.50 (# 1641:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1785,1786,
igr2=1790,1791,1792,
&end
#
# 117 LEU HG 117 LEU MD1 3.00 (# 1642:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1642, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1790,1791,1792,
&end
#
# 0 AMB 20-2:1643 117 LEU MD1 5.50 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1971,1972,2038,2039,
igr2=1790,1791,1792,
&end
#
# 147 LYS HB+ 147 LYS HG+ 3.00 (# 1644:20 Unique 2.41, 2.77 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2287,2288,
igr2=2290,2291,
&end
#
# 147 LYS HD+ 147 LYS HG+ 3.00 (# 1645:20 Unique 2.37, 2.61 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2293,2294,
igr2=2290,2291,
&end
#
# 117 LEU HA 117 LEU MD1 4.50 (# 1646:20 Unique 3.24, 4.50 A)
&rst
ixpk= 1646, nxpk= 20, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1790,1791,1792,
&end
#
# 129 GLN HB- 117 LEU MD1 4.50 (# 1647:20 Unique 2.37, 3.39 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1968,1969,
igr2=1790,1791,1792,
&end
#
# 126 ILE QG2 117 LEU MD1 4.50 (# 1648:20 Unique 2.67, 4.97 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1908,1909,1910,
igr2=1790,1791,1792,
&end
#
# 14 SER HA 105 LEU MD1 7.00 (# 1653:20 Unique 6.24, 7.53 A)
&rst
ixpk= 1653, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1613,1614,1615,
&end
#
# 0 AMB 20-2:1654 105 LEU MD1 4.50 (# 1654:20 Single Ambig)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1202,1203,1633,1634,
igr2=1613,1614,1615,
&end
#
# 105 LEU HB- 105 LEU MD1 3.50 (# 1655:20 Unique 2.36, 3.60 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1608,1609,
igr2=1613,1614,1615,
&end
#
# 0 AMB 20-2:1656 105 LEU MD1 3.50 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1691,1692,1693,1775,1776,1777,
igr2=1613,1614,1615,
&end
#
# 105 LEU HG 105 LEU MD1 3.00 (# 1657:20 Unique 2.41, 2.68 A)
&rst
ixpk= 1657, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1613,1614,1615,
&end
#
# 81 LEU MD1 105 LEU MD1 3.50 (# 1659:20 Unique 2.70, 4.66 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1207,1208,1209,
igr2=1613,1614,1615,
&end
#
# 25 ALA HA 30 LEU MD1 4.50 (# 1660:20 Unique 2.94, 4.22 A)
&rst
ixpk= 1660, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 450, 451, 452,
&end
#
# 0 AMB 20-2:1661 0 AMB 20-1:1661 3.00 (# 1661:20 Double Ambig)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2197,2198,2199, 445, 446, 856, 857, 889, 448,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 0 AMB 20-2:1662 0 AMB 20-1:1662 4.50 (# 1662:20 Double Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2244, 848, 906,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 101 LYS HB- 101 LYS HG- 4.50 (# 1666:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1536,1537,
igr2=1539,1540,
&end
#
# 101 LYS HB+ 101 LYS HG- 5.50 (# 1667:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1539,1540,
&end
#
# 0 AMB 20-2:1669 105 LEU MD1 4.50 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1238,1239,1240,1234,1235,
igr2=1613,1614,1615,
&end
#
# 105 LEU HB+ 105 LEU MD1 4.50 (# 1670:20 Unique 2.36, 3.60 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1608,1609,
igr2=1613,1614,1615,
&end
#
# 137 LEU MD2 105 LEU MD1 3.00 (# 1671:20 Unique 2.25, 3.52 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2108,2109,2110,
igr2=1613,1614,1615,
&end
#
# 81 LEU HG 105 LEU MD1 4.50 (# 1672:20 Unique 4.82, 5.56 A)
&rst
ixpk= 1672, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1613,1614,1615,
&end
#
# 141 LEU HG 105 LEU MD1 5.50 (# 1673:20 Unique 4.85, 6.20 A)
&rst
ixpk= 1673, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1613,1614,1615,
&end
#
# 30 LEU HA 30 LEU MD1 4.50 (# 1674:20 Unique 4.21, 4.51 A)
&rst
ixpk= 1674, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 450, 451, 452,
&end
#
# 0 AMB 20-2:1675 0 AMB 20-1:1675 3.00 (# 1675:20 Double Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 794,2195,
igr2= 801, 802, 803, 450, 451, 452,
&end
#
# 146 LYS HE+ 30 LEU MD1 4.50 (# 1676:20 Unique 2.66, 4.88 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2274,2275,
igr2= 450, 451, 452,
&end
#
# 28 GLU HG+ 30 LEU MD1 4.50 (# 1677:20 Unique 2.33, 4.47 A)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 426, 427,
igr2= 450, 451, 452,
&end
#
# 145 LEU HB+ 30 LEU MD1 3.00 (# 1678:20 Unique 2.20, 3.69 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2246,2247,
igr2= 450, 451, 452,
&end
#
# 0 AMB 20-2:1679 0 AMB 20-1:1679 3.00 (# 1679:20 Double Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2268,2269, 856, 857, 850, 851,
igr2= 450, 451, 452, 801, 802, 803,
&end
#
# 58 LYS HG- 55 LEU MD1 4.50 (# 1680:20 Unique 3.94, 5.39 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 853, 854,
igr2= 801, 802, 803,
&end
#
# 131 ARG QD 55 LEU MD1 5.50 (# 1681:20 Unique 4.17, 6.07 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2005,2006,
igr2= 801, 802, 803,
&end
#
# 28 GLU HG- 30 LEU MD1 3.00 (# 1682:20 Unique 2.33, 4.47 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 426, 427,
igr2= 450, 451, 452,
&end
#
# 0 AMB 20-2:1683 55 LEU MD1 3.00 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 796, 797, 231, 232,
igr2= 801, 802, 803,
&end
#
# 46 LYS HB+ 46 LYS HG+ 3.00 (# 1684:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 668, 669,
igr2= 671, 672,
&end
#
# 102 VAL MG2 101 LYS HG- 4.50 (# 1685:20 Unique 3.39, 6.03 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1564,1565,1566,
igr2=1539,1540,
&end
#
# 62 LEU HA 62 LEU QD2 4.50 (# 1686:20 Unique 2.73, 3.81 A)
&rst
ixpk= 1686, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 927, 928, 929,
&end
#
# 64 HIS HB+ 62 LEU QD2 5.50 (# 1687:20 Unique 2.15, 3.06 A)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 951, 952,
igr2= 927, 928, 929,
&end
#
# 64 HIS HB- 62 LEU QD2 5.50 (# 1688:20 Unique 2.15, 3.06 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 951, 952,
igr2= 927, 928, 929,
&end
#
# 0 AMB 20-2:1689 0 AMB 20-1:1689 4.50 (# 1689:20 Double Ambig)
&rst
ixpk= 1689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1608,1609, 799, 796, 797,
igr2=2108,2109,2110, 927, 928, 929,
&end
#
# 62 LEU HG 62 LEU QD2 3.00 (# 1690:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1690, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 927, 928, 929,
&end
#
# 65 VAL HA 62 LEU QD2 7.00 (# 1691:20 Unique 6.79, 7.19 A)
&rst
ixpk= 1691, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 927, 928, 929,
&end
#
# 134 LEU HA 134 LEU MD1 3.50 (# 1692:20 Unique 2.18, 3.04 A)
&rst
ixpk= 1692, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2055,2056,2057,
&end
#
# 134 LEU HB+ 134 LEU MD1 4.50 (# 1693:20 Unique 2.34, 3.51 A)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2050,2051,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:1694 134 LEU MD1 3.50 (# 1694:20 Single Ambig)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1238,1239,1240,2102,2038,2039,1234,1235,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:1695 134 LEU MD1 3.00 (# 1695:20 Single Ambig)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2053,1769,
igr2=2055,2056,2057,
&end
#
# 116 VAL MG2 134 LEU MD1 4.00 (# 1696:20 Unique 2.16, 4.02 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1775,1776,1777,
igr2=2055,2056,2057,
&end
#
# 116 VAL MG1 134 LEU MD1 4.00 (# 1697:20 Unique 2.40, 4.62 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1771,1772,1773,
igr2=2055,2056,2057,
&end
#
# 17 ALA MB 134 LEU MD1 3.50 (# 1698:20 Unique 2.30, 4.34 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 248, 249, 250,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:1699 0 AMB 20-1:1699 4.50 (# 1699:20 Double Ambig)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2048, 229,
igr2=2108,2109,2110, 927, 928, 929,
&end
#
# 0 AMB 20-2:1700 0 AMB 20-1:1700 3.00 (# 1700:20 Double Ambig)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 220, 221,1613,1614,1615, 761, 762, 763,
igr2= 927, 928, 929,2108,2109,2110,
&end
#
# 0 AMB 20-2:1701 137 LEU MD2 3.50 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1606,2116,
igr2=2108,2109,2110,
&end
#
# 15 PRO HD+ 62 LEU QD2 5.50 (# 1702:20 Unique 5.06, 6.44 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 214, 215,
igr2= 927, 928, 929,
&end
#
# 13 ARG HD- 137 LEU MD2 5.50 (# 1703:20 Unique 5.93, 7.28 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 188, 189,
igr2=2108,2109,2110,
&end
#
# 0 AMB 20-2:1704 0 AMB 20-1:1704 4.50 (# 1704:20 Double Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2178,2179, 258, 259,2161,2162,
igr2=2108,2109,2110, 927, 928, 929,
&end
#
# 137 LEU HG 137 LEU MD2 3.00 (# 1705:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1705, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2108,2109,2110,
&end
#
# 106 LYS HD- 137 LEU MD2 4.50 (# 1706:20 Unique 3.12, 4.97 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1633,1634,
igr2=2108,2109,2110,
&end
#
# 81 LEU MD1 137 LEU MD2 4.50 (# 1707:20 Unique 5.51, 6.90 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1207,1208,1209,
igr2=2108,2109,2110,
&end
#
# 141 LEU HG 137 LEU MD2 5.50 (# 1708:20 Unique 5.88, 6.63 A)
&rst
ixpk= 1708, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2108,2109,2110,
&end
#
# 1 MET HE 79 LEU MD1 4.50 (# 1709:20 Unique 2.72, 4.90 A)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 15, 16, 17,
igr2=1172,1173,1174,
&end
#
# 0 AMB 20-2:1710 79 LEU MD1 5.50 (# 1710:20 Single Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1539,1540, 43, 44,
igr2=1172,1173,1174,
&end
#
# 79 LEU HB+ 79 LEU MD1 3.00 (# 1711:20 Unique 2.43, 3.52 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1167,1168,
igr2=1172,1173,1174,
&end
#
# 79 LEU HG 79 LEU MD1 3.00 (# 1712:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1712, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1172,1173,1174,
&end
#
# 145 LEU MD2 79 LEU MD1 4.50 (# 1713:20 Unique 5.21, 6.74 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2255,2256,2257,
igr2=1172,1173,1174,
&end
#
# 3 ILE QG2 79 LEU MD1 4.50 (# 1715:20 Unique 4.80, 6.12 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 39, 40, 41,
igr2=1172,1173,1174,
&end
#
# 105 LEU HA 81 LEU HG 4.50 (# 1716:20 Unique 4.38, 4.48 A)
&rst
ixpk= 1716, nxpk= 20, iat=1606,1205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE HB+ 81 LEU HG 5.50 (# 1717:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 108 TYR HB+ 81 LEU HG 3.50 (# 1718:20 Unique 3.25, 3.70 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1664,1665,
&end
#
# 103 PHE HB- 81 LEU HG 4.50 (# 1719:20 Unique 2.83, 3.69 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1574,1575,
&end
#
# 81 LEU HB+ 81 LEU HG 4.50 (# 1720:20 Unique 2.52, 2.82 A)
&rst
ixpk= 1720, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1202,1203,
&end
#
# 0 AMB 20-2:1721 81 LEU HG 5.50 (# 1721:20 Single Ambig)
&rst
ixpk= 1721, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1608,1609, 43, 44,1221,1222,1223,
&end
#
# 0 AMB 20-2:1722 81 LEU HG 5.50 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1167,1168,1691,1692,1693,
&end
#
# 0 AMB 20-2:1723 81 LEU HG 4.50 (# 1723:20 Single Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1170,1613,1614,1615,
&end
#
# 81 LEU HB- 81 LEU HG 3.50 (# 1724:20 Unique 2.52, 2.82 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1202,1203,
&end
#
# 0 AMB 20-2:1725 81 LEU HG 5.50 (# 1725:20 Single Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 46, 47, 48,1188,1189,1190, 97, 98, 99,
&end
#
# 3 ILE QG2 81 LEU HG 5.50 (# 1726:20 Unique 4.30, 4.92 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41,
&end
#
# 0 AMB 20-2:1727 117 LEU MD2 4.50 (# 1727:20 Single Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1985,1783,
igr2=1794,1795,1796,
&end
#
# 18 GLU HA 34 VAL MG2 3.50 (# 1728:20 Unique 2.32, 3.31 A)
&rst
ixpk= 1728, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1729 34 VAL MG2 4.50 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 331, 332, 302, 303,
igr2= 514, 515, 516,
&end
#
# 18 GLU HB+ 34 VAL MG2 5.50 (# 1730:20 Unique 2.77, 4.67 A)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 258, 259,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1731 34 VAL MG2 3.00 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 261, 262, 508,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1732 34 VAL MG2 3.50 (# 1732:20 Single Ambig)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 258, 259, 322, 323,
igr2= 514, 515, 516,
&end
#
# 0 AMB 20-2:1733 34 VAL MG2 3.50 (# 1733:20 Single Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 325, 326, 328, 329,
igr2= 514, 515, 516,
&end
#
# 3 ILE QD1 34 VAL MG2 5.50 (# 1735:20 Unique 4.78, 6.70 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 46, 47, 48,
igr2= 514, 515, 516,
&end
#
# 3 ILE QG2 34 VAL MG2 5.50 (# 1736:20 Unique 6.01, 7.23 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2= 514, 515, 516,
&end
#
# 106 LYS HA 109 VAL MG2 5.50 (# 1738:20 Unique 3.66, 4.74 A)
&rst
ixpk= 1738, nxpk= 20, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:1739 109 VAL MG2 5.50 (# 1739:20 Single Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,2229,2230,
igr2=1691,1692,1693,
&end
#
# 81 LEU HG 109 VAL MG2 5.50 (# 1740:20 Unique 5.81, 6.63 A)
&rst
ixpk= 1740, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 81 LEU MD1 109 VAL MG2 5.50 (# 1741:20 Unique 4.04, 5.65 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1207,1208,1209,
igr2=1691,1692,1693,
&end
#
# 32 VAL MG2 34 VAL MG2 4.50 (# 1742:20 Unique 3.78, 5.64 A)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 484, 485, 486,
igr2= 514, 515, 516,
&end
#
# 109 VAL HA 109 VAL MG2 3.00 (# 1743:20 Unique 2.52, 3.23 A)
&rst
ixpk= 1743, nxpk= 20, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:1744 109 VAL MG2 4.50 (# 1744:20 Single Ambig)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2097,2159,
igr2=1691,1692,1693,
&end
#
# 108 TYR HB+ 109 VAL MG2 5.50 (# 1745:20 Unique 2.45, 4.22 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1664,1665,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:1746 109 VAL MG2 4.50 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2178,2179,2161,2162,
igr2=1691,1692,1693,
&end
#
# 109 VAL HB 109 VAL MG2 3.00 (# 1747:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1747, nxpk= 20, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:1748 109 VAL MG2 4.50 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1633,1634,1202,1203,
igr2=1691,1692,1693,
&end
#
# 141 LEU HB- 109 VAL MG2 4.50 (# 1749:20 Unique 2.63, 5.04 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2178,2179,
igr2=1691,1692,1693,
&end
#
# 0 AMB 20-2:1751 109 VAL MG2 3.00 (# 1751:20 Single Ambig)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2183,2184,2185,2104,2105,2106,
igr2=1691,1692,1693,
&end
#
# 137 LEU MD2 109 VAL MG2 5.50 (# 1752:20 Unique 2.80, 4.54 A)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2108,2109,2110,
igr2=1691,1692,1693,
&end
#
# 141 LEU HG 109 VAL MG2 5.50 (# 1753:20 Unique 2.59, 3.88 A)
&rst
ixpk= 1753, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 137 LEU HG 141 LEU MD1 3.50 (# 1756:20 Unique 2.53, 3.71 A)
&rst
ixpk= 1756, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:1758 79 LEU MD2 5.50 (# 1758:20 Single Ambig)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1574,1575, 11, 12,
igr2=1176,1177,1178,
&end
#
# 1 MET HE 79 LEU MD2 4.50 (# 1759:20 Unique 2.28, 3.69 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 15, 16, 17,
igr2=1176,1177,1178,
&end
#
# 3 ILE HG1- 79 LEU MD2 5.50 (# 1760:20 Unique 2.34, 4.23 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 43, 44,
igr2=1176,1177,1178,
&end
#
# 79 LEU HB+ 79 LEU MD2 3.50 (# 1761:20 Unique 2.42, 3.13 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1167,1168,
igr2=1176,1177,1178,
&end
#
# 79 LEU HG 79 LEU MD2 3.00 (# 1762:20 Unique 2.41, 2.66 A)
&rst
ixpk= 1762, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1176,1177,1178,
&end
#
# 0 AMB 20-2:1763 79 LEU MD2 3.50 (# 1763:20 Single Ambig)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2255,2256,2257,2251,2252,2253,2183,2184,2185,
igr2=1176,1177,1178,
&end
#
# 81 LEU HB- 79 LEU MD2 4.80 (# 1764:20 Unique 3.84, 5.40 A)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1202,1203,
igr2=1176,1177,1178,
&end
#
# 3 ILE QG2 79 LEU MD2 5.50 (# 1767:20 Unique 2.24, 4.00 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2=1176,1177,1178,
&end
#
# 7 CYS HA 8 THR MG2 5.50 (# 1770:20 Unique 4.26, 5.65 A)
&rst
ixpk= 1770, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 124, 125, 126,
&end
#
# 40 PHE HB+ 8 THR MG2 4.50 (# 1771:20 Unique 2.42, 5.55 A)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 592, 593,
igr2= 124, 125, 126,
&end
#
# 40 PHE HB- 8 THR MG2 4.50 (# 1772:20 Unique 2.42, 5.55 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 592, 593,
igr2= 124, 125, 126,
&end
#
# 39 VAL HB 8 THR MG2 4.50 (# 1773:20 Unique 2.45, 4.29 A)
&rst
ixpk= 1773, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 124, 125, 126,
&end
#
# 0 AMB 20-2:1774 8 THR MG2 4.50 (# 1774:20 Single Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1354,1355,1356, 101, 102, 103,
igr2= 124, 125, 126,
&end
#
# 39 VAL MG1 8 THR MG2 4.50 (# 1775:20 Unique 3.69, 5.96 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 578, 579, 580,
igr2= 124, 125, 126,
&end
#
# 83 MET HB+ 6 VAL MG2 5.50 (# 1776:20 Unique 5.40, 7.58 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1231,1232,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1777 0 AMB 20-1:1777 3.00 (# 1777:20 Double Ambig)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1613,1614,1615, 559, 560, 561,1687,1688,1689,
igr2=2183,2184,2185, 101, 102, 103,
&end
#
# 0 AMB 20-2:1778 141 LEU MD1 5.50 (# 1778:20 Single Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2232,2233,2229,2230,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:1779 6 VAL MG2 5.50 (# 1779:20 Single Ambig)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 576,1371,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:1780 0 AMB 20-1:1780 3.00 (# 1780:20 Double Ambig)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2176, 109,
igr2=2183,2184,2185, 101, 102, 103,
&end
#
# 141 LEU HB+ 141 LEU MD1 3.00 (# 1781:20 Unique 2.20, 3.32 A)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2178,2179,
igr2=2183,2184,2185,
&end
#
# 81 LEU MD1 141 LEU MD1 3.50 (# 1782:20 Unique 2.15, 4.17 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1207,1208,1209,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:1783 73 LEU MD1 3.00 (# 1783:20 Single Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1081,1134,1135,
igr2=1088,1089,1090,
&end
#
# 35 ARG HD- 73 LEU MD1 5.50 (# 1784:20 Unique 2.23, 3.92 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 530, 531,
igr2=1088,1089,1090,
&end
#
# 0 AMB 20-2:1785 6 VAL MG1 5.50 (# 1785:20 Single Ambig)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1234,1235,1238,1239,1240,
igr2= 97, 98, 99,
&end
#
# 0 AMB 20-2:1786 73 LEU MD1 3.00 (# 1786:20 Single Ambig)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1086,1083,1084,
igr2=1088,1089,1090,
&end
#
# 73 LEU HB- 73 LEU MD1 3.00 (# 1787:20 Unique 2.51, 3.59 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1083,1084,
igr2=1088,1089,1090,
&end
#
# 0 AMB 20-2:1789 73 LEU MD1 3.00 (# 1789:20 Single Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 65, 66, 67, 58, 59, 60,
igr2=1088,1089,1090,
&end
#
# 0 AMB 20-2:1790 0 AMB 20-1:1790 3.00 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2178,2179, 95,
igr2=2183,2184,2185, 101, 102, 103,
&end
#
# 141 LEU HG 141 LEU MD1 3.00 (# 1791:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1791, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:1792 20 LEU QD1 3.50 (# 1792:20 Single Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 856, 857,2002,2003,
igr2= 288, 289, 290,
&end
#
# 35 ARG HD+ 73 LEU MD1 5.50 (# 1793:20 Unique 2.23, 3.92 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 530, 531,
igr2=1088,1089,1090,
&end
#
# 0 AMB 20-2:1794 73 LEU MD1 4.50 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 527, 528, 524, 525,
igr2=1088,1089,1090,
&end
#
# 20 LEU HA 20 LEU QD1 4.50 (# 1796:20 Unique 4.25, 4.60 A)
&rst
ixpk= 1796, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 288, 289, 290,
&end
#
# 0 AMB 20-2:1797 20 LEU QD1 5.50 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2067,1997,
igr2= 288, 289, 290,
&end
#
# 0 AMB 20-2:1798 20 LEU QD1 3.50 (# 1798:20 Single Ambig)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2069,2070,2050,2051,2072,2073,
igr2= 288, 289, 290,
&end
#
# 131 ARG HB- 20 LEU QD1 3.00 (# 1799:20 Unique 2.88, 4.68 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1999,2000,
igr2= 288, 289, 290,
&end
#
# 0 AMB 20-2:1800 48 THR MG2 3.50 (# 1800:20 Single Ambig)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 700, 698,
igr2= 702, 703, 704,
&end
#
# 49 PRO HD3 48 THR MG2 4.50 (# 1801:20 Unique 4.23, 5.09 A)
&rst
ixpk= 1801, nxpk= 20, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 702, 703, 704,
&end
#
# 0 AMB 20-2:1802 34 VAL MG1 4.50 (# 1802:20 Single Ambig)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 256, 320,
igr2= 510, 511, 512,
&end
#
# 21 PHE HB- 34 VAL MG1 5.50 (# 1803:20 Unique 2.77, 4.68 A)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 303,
igr2= 510, 511, 512,
&end
#
# 32 VAL HB 34 VAL MG1 3.50 (# 1804:20 Unique 2.78, 3.55 A)
&rst
ixpk= 1804, nxpk= 20, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 510, 511, 512,
&end
#
# 0 AMB 20-2:1805 34 VAL MG1 3.50 (# 1805:20 Single Ambig)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 325, 326, 328, 329,
igr2= 510, 511, 512,
&end
#
# 32 VAL MG1 34 VAL MG1 3.50 (# 1807:20 Unique 4.23, 5.31 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 480, 481, 482,
igr2= 510, 511, 512,
&end
#
# 3 ILE QG2 34 VAL MG1 5.50 (# 1808:20 Unique 4.18, 5.36 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2= 510, 511, 512,
&end
#
# 11 THR MG2 48 THR MG2 3.50 (# 1809:20 Unique 3.10, 5.14 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 159, 160, 161,
igr2= 702, 703, 704,
&end
#
# 22 LYS HG+ 34 VAL MG1 3.50 (# 1810:20 Unique 3.76, 4.97 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 325, 326,
igr2= 510, 511, 512,
&end
#
# 69 LEU HA 69 LEU MD1 3.50 (# 1811:20 Unique 2.34, 2.93 A)
&rst
ixpk= 1811, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:1812 69 LEU MD1 3.00 (# 1812:20 Single Ambig)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1023,1083,1084,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:1813 0 AMB 20-1:1813 3.00 (# 1813:20 Double Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 508,1685,
igr2= 510, 511, 512,1687,1688,1689,
&end
#
# 0 AMB 20-2:1814 39 VAL MG2 3.50 (# 1814:20 Single Ambig)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 120, 574,
igr2= 582, 583, 584,
&end
#
# 0 AMB 20-2:1815 39 VAL MG2 3.00 (# 1815:20 Single Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 576,1020,1021,
igr2= 582, 583, 584,
&end
#
# 0 AMB 20-2:1816 0 AMB 20-1:1816 5.50 (# 1816:20 Double Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1369,1311,
igr2= 582, 583, 584, 97, 98, 99,
&end
#
# 82 ALA MB 6 VAL MG1 3.50 (# 1818:20 Unique 2.55, 4.24 A)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1221,1222,1223,
igr2= 97, 98, 99,
&end
#
# 0 AMB 20-2:1819 0 AMB 20-1:1819 5.50 (# 1819:20 Double Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 559, 560, 561,1023,
igr2= 97, 98, 99, 582, 583, 584,
&end
#
# 6 VAL HB 6 VAL MG1 3.00 (# 1820:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1820, nxpk= 20, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 97, 98, 99,
&end
#
# 69 LEU HB+ 69 LEU MD1 4.50 (# 1821:20 Unique 2.67, 3.66 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1020,1021,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:1822 69 LEU MD1 3.50 (# 1822:20 Single Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1083,1084,1109,1110,1111,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:1823 69 LEU MD1 3.00 (# 1823:20 Single Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1092,1093,1094,1020,1021,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:1825 109 VAL MG1 3.00 (# 1825:20 Single Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1683,2176,
igr2=1687,1688,1689,
&end
#
# 0 AMB 20-2:1826 109 VAL MG1 4.50 (# 1826:20 Single Ambig)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2164,2165,1636,1637,
igr2=1687,1688,1689,
&end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 3.00 (# 1828:20 Double Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1092,1093,1094,2104,2105,2106, 101, 102, 103,
igr2= 559, 560, 561,1687,1688,1689,
&end
#
# 69 LEU HA 37 ALA MB 3.00 (# 1829:20 Unique 2.44, 3.12 A)
&rst
ixpk= 1829, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1830 37 ALA MB 3.00 (# 1830:20 Single Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 58, 59, 60,1025,1026,1027,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:1831 109 VAL MG1 3.50 (# 1831:20 Single Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2097,2159,
igr2=1687,1688,1689,
&end
#
# 51 ALA MB 52 VAL MG2 4.50 (# 1832:20 Unique 5.14, 6.65 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 745, 746, 747,
igr2= 761, 762, 763,
&end
#
# 52 VAL HB 52 VAL MG2 3.00 (# 1833:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1833, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 761, 762, 763,
&end
#
# 0 AMB 20-2:1834 0 AMB 20-1:1834 3.00 (# 1834:20 Double Ambig)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 923, 924, 925, 97, 98, 99,
igr2= 761, 762, 763, 559, 560, 561,
&end
#
# 52 VAL HA 52 VAL MG2 3.50 (# 1835:20 Unique 2.41, 2.93 A)
&rst
ixpk= 1835, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 761, 762, 763,
&end
#
# 145 LEU HA 145 LEU MD2 3.00 (# 1836:20 Unique 2.10, 2.89 A)
&rst
ixpk= 1836, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2255,2256,2257,
&end
#
# 0 AMB 20-2:1837 145 LEU MD2 5.50 (# 1837:20 Single Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2195,2227,2263,
igr2=2255,2256,2257,
&end
#
# 1 MET HG+ 145 LEU MD2 5.50 (# 1838:20 Unique 2.74, 4.68 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2=2255,2256,2257,
&end
#
# 144 GLN HB+ 145 LEU MD2 5.50 (# 1839:20 Unique 3.21, 4.98 A)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2229,2230,
igr2=2255,2256,2257,
&end
#
# 0 AMB 20-2:1840 145 LEU MD2 3.00 (# 1840:20 Single Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 15, 16, 17,2249,
igr2=2255,2256,2257,
&end
#
# 150 ARG HB- 145 LEU MD2 5.50 (# 1841:20 Unique 2.36, 4.74 A)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2345,2346,
igr2=2255,2256,2257,
&end
#
# 145 LEU HB- 145 LEU MD2 3.00 (# 1842:20 Unique 2.52, 3.62 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2246,2247,
igr2=2255,2256,2257,
&end
#
# 79 LEU HB+ 145 LEU MD2 4.50 (# 1843:20 Unique 4.91, 6.24 A)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1167,1168,
igr2=2255,2256,2257,
&end
#
# 0 AMB 20-2:1844 145 LEU MD2 4.50 (# 1844:20 Single Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1207,1208,1209,1172,1173,1174,
igr2=2255,2256,2257,
&end
#
# 0 AMB 20-2:1845 145 LEU MD2 5.50 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2229,2230, 8, 9,
igr2=2255,2256,2257,
&end
#
# 116 VAL HA 116 VAL MG2 4.50 (# 1846:20 Unique 2.52, 3.26 A)
&rst
ixpk= 1846, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1775,1776,1777,
&end
#
# 0 AMB 20-2:1847 116 VAL MG2 3.50 (# 1847:20 Single Ambig)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1769,1608,1609,
igr2=1775,1776,1777,
&end
#
# 106 LYS HD- 116 VAL MG2 5.50 (# 1848:20 Unique 4.17, 5.84 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1633,1634,
igr2=1775,1776,1777,
&end
#
# 0 AMB 20-2:1849 116 VAL MG2 5.50 (# 1849:20 Single Ambig)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1633,1634, 182, 183,
igr2=1775,1776,1777,
&end
#
# 105 LEU HG 116 VAL MG2 4.50 (# 1850:20 Unique 2.52, 3.74 A)
&rst
ixpk= 1850, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1775,1776,1777,
&end
#
# 106 LYS HE- 116 VAL MG2 4.50 (# 1851:20 Unique 2.18, 4.10 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1636,1637,
igr2=1775,1776,1777,
&end
#
# 0 AMB 20-2:1852 116 VAL MG2 4.50 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1234,1235,2102,1238,1239,1240,
igr2=1775,1776,1777,
&end
#
# 115 ASP HB+ 84 THR MG2 4.50 (# 1854:20 Unique 2.28, 4.16 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1757,1758,
igr2=1250,1251,1252,
&end
#
# 86 GLN HB- 84 THR MG2 4.50 (# 1855:20 Unique 3.78, 5.46 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1279,1280,
igr2=1250,1251,1252,
&end
#
# 84 THR HB 84 THR MG2 3.50 (# 1856:20 Unique 2.42, 2.65 A)
&rst
ixpk= 1856, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1250,1251,1252,
&end
#
# 0 AMB 20-2:1857 102 VAL MG2 3.50 (# 1857:20 Single Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1503,1504,1109,1110,1111,
igr2=1564,1565,1566,
&end
#
# 1 MET HG+ 32 VAL MG2 4.50 (# 1858:20 Unique 5.30, 6.13 A)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 11, 12,
igr2= 484, 485, 486,
&end
#
# 1 MET HB- 32 VAL MG2 5.50 (# 1859:20 Unique 5.60, 6.76 A)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 8, 9,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:1860 32 VAL MG2 3.00 (# 1860:20 Single Ambig)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 445, 446, 325, 326,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:1862 32 VAL MG2 4.50 (# 1862:20 Single Ambig)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 325, 326, 328, 329,
igr2= 484, 485, 486,
&end
#
# 3 ILE QD1 32 VAL MG2 3.50 (# 1863:20 Unique 4.01, 5.63 A)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 46, 47, 48,
igr2= 484, 485, 486,
&end
#
# 99 ARG HA 102 VAL MG2 3.50 (# 1864:20 Unique 2.17, 3.00 A)
&rst
ixpk= 1864, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1564,1565,1566,
&end
#
# 32 VAL HB 32 VAL MG2 3.00 (# 1865:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1865, nxpk= 20, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:1866 32 VAL MG2 3.00 (# 1866:20 Single Ambig)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 445, 446, 514, 515, 516, 43, 44,
igr2= 484, 485, 486,
&end
#
# 34 VAL MG1 32 VAL MG2 3.00 (# 1867:20 Unique 2.45, 3.98 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 510, 511, 512,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:1868 102 VAL MG2 3.00 (# 1868:20 Single Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1558,1500,1501,1536,1537,
igr2=1564,1565,1566,
&end
#
# 91 ILE QG2 102 VAL MG2 3.00 (# 1869:20 Unique 2.45, 3.74 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1373,1374,1375,
igr2=1564,1565,1566,
&end
#
# 88 LYS QD 102 VAL MG2 4.50 (# 1870:20 Unique 2.71, 5.83 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1319,1320,
igr2=1564,1565,1566,
&end
#
# 80 VAL MG1 102 VAL MG2 3.00 (# 1871:20 Unique 2.38, 4.34 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1188,1189,1190,
igr2=1564,1565,1566,
&end
#
# 91 ILE QD1 102 VAL MG2 3.00 (# 1872:20 Unique 3.31, 4.84 A)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1380,1381,1382,
igr2=1564,1565,1566,
&end
#
# 0 AMB 20-2:1873 102 VAL MG2 3.50 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1313,1314,1539,1540,1390,1391,1392,1221,1222,1223,
igr2=1564,1565,1566,
&end
#
# 88 LYS HA 102 VAL MG2 4.00 (# 1874:20 Unique 3.13, 4.51 A)
&rst
ixpk= 1874, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1564,1565,1566,
&end
#
# 88 LYS QG 102 VAL MG2 3.00 (# 1875:20 Unique 2.22, 4.46 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1316,1317,
igr2=1564,1565,1566,
&end
#
# 130 THR HA 130 THR MG2 3.50 (# 1876:20 Unique 2.58, 3.42 A)
&rst
ixpk= 1876, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1987,1988,1989,
&end
#
# 134 LEU HB+ 130 THR MG2 5.50 (# 1877:20 Unique 2.98, 4.36 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2050,2051,
igr2=1987,1988,1989,
&end
#
# 0 AMB 20-2:1879 130 THR MG2 4.50 (# 1879:20 Single Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1819,1820,1785,1786,
igr2=1987,1988,1989,
&end
#
# 134 LEU MD1 130 THR MG2 4.50 (# 1880:20 Unique 3.61, 5.63 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2055,2056,2057,
igr2=1987,1988,1989,
&end
#
# 110 THR HB 110 THR MG2 3.00 (# 1881:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1881, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1703,1704,1705,
&end
#
# 137 LEU HA 110 THR MG2 5.50 (# 1882:20 Unique 5.01, 6.22 A)
&rst
ixpk= 1882, nxpk= 20, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1703,1704,1705,
&end
#
# 106 LYS HA 110 THR MG2 4.50 (# 1883:20 Unique 3.56, 5.02 A)
&rst
ixpk= 1883, nxpk= 20, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1703,1704,1705,
&end
#
# 109 VAL HB 110 THR MG2 3.50 (# 1884:20 Unique 2.38, 3.87 A)
&rst
ixpk= 1884, nxpk= 20, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1703,1704,1705,
&end
#
# 106 LYS HB+ 110 THR MG2 4.50 (# 1885:20 Unique 3.72, 5.95 A)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1627,1628,
igr2=1703,1704,1705,
&end
#
# 106 LYS HD+ 110 THR MG2 4.50 (# 1886:20 Unique 3.30, 4.58 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1633,1634,
igr2=1703,1704,1705,
&end
#
# 109 VAL MG1 110 THR MG2 3.50 (# 1887:20 Unique 2.46, 4.51 A)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1687,1688,1689,
igr2=1703,1704,1705,
&end
#
# 137 LEU MD1 110 THR MG2 3.00 (# 1888:20 Unique 3.23, 4.62 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2104,2105,2106,
igr2=1703,1704,1705,
&end
#
# 68 PRO HB- 70 THR MG2 4.50 (# 1889:20 Unique 2.30, 4.16 A)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1009,1010,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:1890 130 THR MG2 5.50 (# 1890:20 Single Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1966,
igr2=1987,1988,1989,
&end
#
# 130 THR HB 130 THR MG2 3.50 (# 1891:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1891, nxpk= 20, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1987,1988,1989,
&end
#
# 0 AMB 20-2:1892 130 THR MG2 5.50 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2035,2036,2038,2039,
igr2=1987,1988,1989,
&end
#
# 16 MET HE1 130 THR MG2 3.50 (# 1893:20 Unique 2.24, 3.81 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 238, 239, 240,
igr2=1987,1988,1989,
&end
#
# 116 VAL HB 130 THR MG2 5.50 (# 1894:20 Unique 3.23, 4.94 A)
&rst
ixpk= 1894, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1987,1988,1989,
&end
#
# 68 PRO HG+ 70 THR MG2 4.50 (# 1895:20 Unique 2.67, 4.00 A)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1006,1007,
igr2=1041,1042,1043,
&end
#
# 73 LEU HB+ 70 THR MG2 5.50 (# 1896:20 Unique 5.80, 6.65 A)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1083,1084,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:1897 70 THR MG2 5.50 (# 1897:20 Single Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1018,1003,1004,
igr2=1041,1042,1043,
&end
#
# 68 PRO HB+ 70 THR MG2 4.50 (# 1898:20 Unique 2.30, 4.16 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1009,1010,
igr2=1041,1042,1043,
&end
#
# 46 LYS HG+ 65 VAL MG1 4.50 (# 1899:20 Unique 4.38, 6.36 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 671, 672,
igr2= 970, 971, 972,
&end
#
# 43 PRO HB- 65 VAL MG1 5.50 (# 1900:20 Unique 4.29, 5.97 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 636, 637,
igr2= 970, 971, 972,
&end
#
# 46 LYS HB+ 65 VAL MG1 4.50 (# 1901:20 Unique 2.55, 4.69 A)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 668, 669,
igr2= 970, 971, 972,
&end
#
# 0 AMB 20-2:1902 65 VAL MG1 3.50 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 645, 639,
igr2= 970, 971, 972,
&end
#
# 65 VAL HA 65 VAL MG1 3.50 (# 1903:20 Unique 2.44, 3.12 A)
&rst
ixpk= 1903, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 970, 971, 972,
&end
#
# 65 VAL HB 65 VAL MG1 3.00 (# 1904:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1904, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 970, 971, 972,
&end
#
# 53 GLU HA 52 VAL MG1 4.50 (# 1906:20 Unique 3.48, 4.28 A)
&rst
ixpk= 1906, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 757, 758, 759,
&end
#
# 52 VAL HA 52 VAL MG1 3.50 (# 1907:20 Unique 3.71, 3.96 A)
&rst
ixpk= 1907, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 757, 758, 759,
&end
#
# 52 VAL HB 52 VAL MG1 3.00 (# 1908:20 Unique 2.36, 2.61 A)
&rst
ixpk= 1908, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 757, 758, 759,
&end
#
# 53 GLU HG- 52 VAL MG1 5.50 (# 1909:20 Unique 5.20, 6.48 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 774, 775,
igr2= 757, 758, 759,
&end
#
# 0 AMB 20-2:1910 52 VAL MG1 4.50 (# 1910:20 Single Ambig)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 771, 772, 918, 919,
igr2= 757, 758, 759,
&end
#
# 47 ALA MB 52 VAL MG1 3.50 (# 1911:20 Unique 3.89, 5.34 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 690, 691, 692,
igr2= 757, 758, 759,
&end
#
# 62 LEU QD1 52 VAL MG1 4.50 (# 1912:20 Unique 5.43, 6.72 A)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 923, 924, 925,
igr2= 757, 758, 759,
&end
#
# 55 LEU HB+ 52 VAL MG1 5.50 (# 1913:20 Unique 6.11, 7.42 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 796, 797,
igr2= 757, 758, 759,
&end
#
# 80 VAL HA 80 VAL MG1 4.50 (# 1914:20 Unique 2.55, 3.20 A)
&rst
ixpk= 1914, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1188,1189,1190,
&end
#
# 80 VAL HB 80 VAL MG1 3.00 (# 1915:20 Unique 2.43, 2.66 A)
&rst
ixpk= 1915, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1188,1189,1190,
&end
#
# 74 MET HE 80 VAL MG1 3.50 (# 1916:20 Unique 3.46, 5.38 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1109,1110,1111,
igr2=1188,1189,1190,
&end
#
# 4 ILE HB 80 VAL MG1 4.50 (# 1917:20 Unique 2.31, 3.74 A)
&rst
ixpk= 1917, nxpk= 20, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1188,1189,1190,
&end
#
# 91 ILE QG2 80 VAL MG1 3.00 (# 1918:20 Unique 2.27, 4.55 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1373,1374,1375,
igr2=1188,1189,1190,
&end
#
# 102 VAL MG2 80 VAL MG1 3.00 (# 1919:20 Unique 2.38, 4.34 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1564,1565,1566,
igr2=1188,1189,1190,
&end
#
# 91 ILE QG2 82 ALA MB 4.50 (# 1920:20 Unique 4.81, 6.73 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1373,1374,1375,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:1921 82 ALA MB 5.50 (# 1921:20 Single Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1294,1606,
igr2=1221,1222,1223,
&end
#
# 87 HIS HB- 82 ALA MB 3.50 (# 1922:20 Unique 2.15, 3.56 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1296,1297,
igr2=1221,1222,1223,
&end
#
# 87 HIS HB+ 82 ALA MB 3.50 (# 1923:20 Unique 2.15, 3.56 A)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1296,1297,
igr2=1221,1222,1223,
&end
#
# 88 LYS HB+ 82 ALA MB 5.50 (# 1924:20 Unique 2.43, 4.10 A)
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1313,1314,
igr2=1221,1222,1223,
&end
#
# 83 MET HG+ 82 ALA MB 5.50 (# 1925:20 Unique 5.08, 6.97 A)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1234,1235,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:1926 82 ALA MB 4.50 (# 1926:20 Single Ambig)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1564,1565,1566,1202,1203,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:1927 82 ALA MB 3.50 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 97, 98, 99,1188,1189,1190,1596,1597,1598,
igr2=1221,1222,1223,
&end
#
# 91 ILE QD1 82 ALA MB 3.50 (# 1928:20 Unique 2.44, 3.71 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1380,1381,1382,
igr2=1221,1222,1223,
&end
#
# 11 THR HA 11 THR MG2 3.50 (# 1929:20 Unique 2.35, 3.00 A)
&rst
ixpk= 1929, nxpk= 20, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 159, 160, 161,
&end
#
# 0 AMB 20-2:1930 65 VAL MG2 5.50 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 645, 639,
igr2= 974, 975, 976,
&end
#
# 65 VAL HA 65 VAL MG2 3.50 (# 1931:20 Unique 2.53, 3.19 A)
&rst
ixpk= 1931, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 974, 975, 976,
&end
#
# 46 LYS HE+ 65 VAL MG2 5.50 (# 1932:20 Unique 3.58, 5.98 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678,
igr2= 974, 975, 976,
&end
#
# 65 VAL HB 65 VAL MG2 3.00 (# 1933:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1933, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 974, 975, 976,
&end
#
# 46 LYS HG+ 65 VAL MG2 4.50 (# 1934:20 Unique 3.67, 5.79 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 671, 672,
igr2= 974, 975, 976,
&end
#
# 47 ALA MB 65 VAL MG2 5.50 (# 1935:20 Unique 6.30, 7.84 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 690, 691, 692,
igr2= 974, 975, 976,
&end
#
# 0 AMB 20-2:1937 83 MET HE 5.50 (# 1937:20 Single Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1606, 223,
igr2=1238,1239,1240,
&end
#
# 14 SER HA 83 MET HE 4.50 (# 1938:20 Unique 2.32, 3.52 A)
&rst
ixpk= 1938, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1238,1239,1240,
&end
#
# 14 SER HB+ 83 MET HE 5.50 (# 1939:20 Unique 3.59, 5.50 A)
&rst
ixpk= 1939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 206, 207,
igr2=1238,1239,1240,
&end
#
# 5 PHE HB+ 83 MET HE 3.50 (# 1940:20 Unique 2.15, 4.01 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 75, 76,
igr2=1238,1239,1240,
&end
#
# 81 LEU HB+ 83 MET HE 4.50 (# 1941:20 Unique 3.55, 5.66 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1202,1203,
igr2=1238,1239,1240,
&end
#
# 105 LEU HB- 83 MET HE 3.50 (# 1942:20 Unique 2.85, 5.16 A)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1608,1609,
igr2=1238,1239,1240,
&end
#
# 105 LEU MD1 83 MET HE 3.50 (# 1943:20 Unique 2.48, 4.64 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1613,1614,1615,
igr2=1238,1239,1240,
&end
#
# 117 LEU HB- 116 VAL MG1 3.50 (# 1944:20 Unique 2.72, 4.55 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1785,1786,
igr2=1771,1772,1773,
&end
#
# 83 MET HB+ 83 MET HE 4.50 (# 1945:20 Unique 4.07, 5.12 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1231,1232,
igr2=1238,1239,1240,
&end
#
# 0 AMB 20-2:1947 83 MET HE 5.50 (# 1947:20 Single Ambig)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1775,1776,1777,2121,
igr2=1238,1239,1240,
&end
#
# 105 LEU HG 83 MET HE 5.50 (# 1948:20 Unique 4.63, 5.88 A)
&rst
ixpk= 1948, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 17 ALA MB 83 MET HE 3.00 (# 1949:20 Unique 2.53, 4.09 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 248, 249, 250,
igr2=1238,1239,1240,
&end
#
# 81 LEU MD1 83 MET HE 5.50 (# 1950:20 Unique 5.11, 7.09 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1207,1208,1209,
igr2=1238,1239,1240,
&end
#
# 106 LYS HE- 116 VAL MG1 5.50 (# 1951:20 Unique 3.80, 5.57 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1636,1637,
igr2=1771,1772,1773,
&end
#
# 116 VAL HA 116 VAL MG1 3.50 (# 1952:20 Unique 2.50, 3.18 A)
&rst
ixpk= 1952, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1771,1772,1773,
&end
#
# 0 AMB 20-2:1953 116 VAL MG1 3.50 (# 1953:20 Single Ambig)
&rst
ixpk= 1953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2048,1783,
igr2=1771,1772,1773,
&end
#
# 133 GLU HG+ 116 VAL MG1 4.50 (# 1954:20 Unique 2.17, 3.88 A)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2038,2039,
igr2=1771,1772,1773,
&end
#
# 116 VAL HB 116 VAL MG1 3.00 (# 1955:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1955, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1771,1772,1773,
&end
#
# 117 LEU HB+ 116 VAL MG1 4.50 (# 1956:20 Unique 2.72, 4.55 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1785,1786,
igr2=1771,1772,1773,
&end
#
# 134 LEU MD1 116 VAL MG1 3.00 (# 1957:20 Unique 2.40, 4.62 A)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2055,2056,2057,
igr2=1771,1772,1773,
&end
#
# 39 VAL HA 39 VAL MG1 3.00 (# 1958:20 Unique 2.37, 3.01 A)
&rst
ixpk= 1958, nxpk= 20, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 578, 579, 580,
&end
#
# 0 AMB 20-2:1959 39 VAL MG1 3.00 (# 1959:20 Single Ambig)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 576,1020,1021,
igr2= 578, 579, 580,
&end
#
# 0 AMB 20-2:1960 116 VAL MG1 4.50 (# 1960:20 Single Ambig)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2038,2039,2035,2036,
igr2=1771,1772,1773,
&end
#
# 85 HIS HA 104 THR MG2 4.50 (# 1961:20 Unique 2.72, 3.70 A)
&rst
ixpk= 1961, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1596,1597,1598,
&end
#
# 88 LYS QD 104 THR MG2 5.50 (# 1962:20 Unique 4.27, 5.97 A)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1319,1320,
igr2=1596,1597,1598,
&end
#
# 0 AMB 20-2:1963 104 THR MG2 3.50 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1221,1222,1223,1608,1609,1313,1314,
igr2=1596,1597,1598,
&end
#
# 66 SER HB+ 41 ALA MB 3.50 (# 1965:20 Unique 2.18, 3.85 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 984, 985,
igr2= 612, 613, 614,
&end
#
# 68 PRO HB+ 41 ALA MB 4.50 (# 1967:20 Unique 3.75, 5.50 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1009,1010,
igr2= 612, 613, 614,
&end
#
# 10 ASN HB- 41 ALA MB 4.50 (# 1968:20 Unique 2.35, 3.09 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 143, 144,
igr2= 612, 613, 614,
&end
#
# 68 PRO HB- 41 ALA MB 4.50 (# 1969:20 Unique 3.75, 5.50 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1009,1010,
igr2= 612, 613, 614,
&end
#
# 41 ALA HA 41 ALA MB 3.50 (# 1971:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1971, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 612, 613, 614,
&end
#
# 22 LYS HA 32 VAL MG1 7.00 (# 1972:20 Unique 6.79, 7.45 A)
&rst
ixpk= 1972, nxpk= 20, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 480, 481, 482,
&end
#
# 0 AMB 20-2:1973 0 AMB 20-1:1973 5.50 (# 1973:20 Double Ambig)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2345,2346,1411,1412,
igr2= 480, 481, 482, 578, 579, 580,
&end
#
# 74 MET HA 80 VAL MG2 5.50 (# 1974:20 Unique 3.56, 4.04 A)
&rst
ixpk= 1974, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 101 LYS HB- 80 VAL MG2 4.50 (# 1975:20 Unique 2.46, 4.57 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1536,1537,
igr2=1192,1193,1194,
&end
#
# 74 MET HE 80 VAL MG2 3.50 (# 1976:20 Unique 2.34, 4.17 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1109,1110,1111,
igr2=1192,1193,1194,
&end
#
# 4 ILE HB 80 VAL MG2 3.50 (# 1977:20 Unique 2.41, 3.59 A)
&rst
ixpk= 1977, nxpk= 20, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1192,1193,1194,
&end
#
# 0 AMB 20-2:1978 80 VAL MG2 3.00 (# 1978:20 Single Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1102,1103,1145,1146,1147,
igr2=1192,1193,1194,
&end
#
# 102 VAL MG2 80 VAL MG2 4.50 (# 1979:20 Unique 3.28, 5.27 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1564,1565,1566,
igr2=1192,1193,1194,
&end
#
# 1 MET HB- 32 VAL MG1 4.50 (# 1980:20 Unique 2.28, 4.34 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 8, 9,
igr2= 480, 481, 482,
&end
#
# 30 LEU HB+ 32 VAL MG1 3.50 (# 1981:20 Unique 2.66, 4.62 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 445, 446,
igr2= 480, 481, 482,
&end
#
# 0 AMB 20-2:1982 32 VAL MG1 3.00 (# 1982:20 Single Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 445, 446, 43, 44,
igr2= 480, 481, 482,
&end
#
# 34 VAL MG1 32 VAL MG1 3.50 (# 1983:20 Unique 4.23, 5.31 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 510, 511, 512,
igr2= 480, 481, 482,
&end
#
# 80 VAL HA 80 VAL MG2 3.50 (# 1984:20 Unique 2.49, 3.17 A)
&rst
ixpk= 1984, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1192,1193,1194,
&end
#
# 80 VAL HB 80 VAL MG2 3.50 (# 1985:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1985, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1192,1193,1194,
&end
#
# 4 ILE HG1- 80 VAL MG2 4.50 (# 1986:20 Unique 3.08, 5.09 A)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 62, 63,
igr2=1192,1193,1194,
&end
#
# 1 MET HG+ 32 VAL MG1 5.50 (# 1987:20 Unique 2.54, 3.77 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2= 480, 481, 482,
&end
#
# 19 ALA HA 19 ALA MB 3.00 (# 1988:20 Unique 2.43, 2.68 A)
&rst
ixpk= 1988, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 273, 274, 275,
&end
#
# 55 LEU MD1 19 ALA MB 3.00 (# 1989:20 Unique 2.37, 3.99 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 801, 802, 803,
igr2= 273, 274, 275,
&end
#
# 60 ILE QG2 19 ALA MB 3.00 (# 1990:20 Unique 2.21, 3.73 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 891, 892, 893,
igr2= 273, 274, 275,
&end
#
# 0 AMB 20-2:1991 91 ILE QG2 5.50 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1388,1498,
igr2=1373,1374,1375,
&end
#
# 91 ILE HA 91 ILE QG2 3.50 (# 1992:20 Unique 2.64, 3.26 A)
&rst
ixpk= 1992, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1373,1374,1375,
&end
#
# 95 PHE HB- 91 ILE QG2 5.50 (# 1993:20 Unique 3.64, 5.03 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1428,1429,
igr2=1373,1374,1375,
&end
#
# 0 AMB 20-2:1994 91 ILE QG2 4.50 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1558,1500,1501,
igr2=1373,1374,1375,
&end
#
# 91 ILE HB 91 ILE QG2 3.50 (# 1995:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1995, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1373,1374,1375,
&end
#
# 0 AMB 20-2:1996 91 ILE QG2 4.50 (# 1996:20 Single Ambig)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1109,1110,1111,1503,1504,
igr2=1373,1374,1375,
&end
#
# 0 AMB 20-2:1997 91 ILE QG2 4.50 (# 1997:20 Single Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1390,1391,1392,1539,1540,1313,1314,
igr2=1373,1374,1375,
&end
#
# 102 VAL MG2 91 ILE QG2 3.00 (# 1998:20 Unique 2.45, 3.74 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1564,1565,1566,
igr2=1373,1374,1375,
&end
#
# 91 ILE QD1 91 ILE QG2 3.00 (# 1999:20 Unique 2.17, 3.81 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1380,1381,1382,
igr2=1373,1374,1375,
&end
#
# 16 MET HA 19 ALA MB 4.50 (# 2000:20 Unique 2.82, 3.79 A)
&rst
ixpk= 2000, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 273, 274, 275,
&end
#
# 18 GLU HG- 19 ALA MB 5.50 (# 2001:20 Unique 3.44, 5.53 A)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 261, 262,
igr2= 273, 274, 275,
&end
#
# 0 AMB 20-2:2002 19 ALA MB 4.50 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 258, 259, 322, 323,
igr2= 273, 274, 275,
&end
#
# 0 AMB 20-2:2003 19 ALA MB 3.50 (# 2003:20 Single Ambig)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 796, 797, 328, 329, 231, 232,
igr2= 273, 274, 275,
&end
#
# 0 AMB 20-2:2004 19 ALA MB 4.50 (# 2004:20 Single Ambig)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 918, 919, 283, 284,
igr2= 273, 274, 275,
&end
#
# 15 PRO HB- 19 ALA MB 4.50 (# 2005:20 Unique 4.53, 6.14 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 220, 221,
igr2= 273, 274, 275,
&end
#
# 62 LEU QD1 19 ALA MB 4.50 (# 2006:20 Unique 4.12, 5.36 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 923, 924, 925,
igr2= 273, 274, 275,
&end
#
# 61 ALA HA 61 ALA MB 3.00 (# 2007:20 Unique 2.40, 2.65 A)
&rst
ixpk= 2007, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 908, 909, 910,
&end
#
# 55 LEU HB+ 61 ALA MB 7.00 (# 2008:20 Unique 5.36, 6.67 A)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 796, 797,
igr2= 908, 909, 910,
&end
#
# 77 ALA HA 77 ALA MB 3.50 (# 2010:20 Unique 2.41, 2.63 A)
&rst
ixpk= 2010, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:2011 77 ALA MB 4.50 (# 2011:20 Single Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1100,1134,1135,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:2012 77 ALA MB 4.50 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 25, 26,1155,1156,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:2013 77 ALA MB 3.50 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1086,1109,1110,1111,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:2014 77 ALA MB 4.50 (# 2014:20 Single Ambig)
&rst
ixpk= 2014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 56, 43, 44, 37,
igr2=1145,1146,1147,
&end
#
# 4 ILE HG1- 77 ALA MB 3.50 (# 2015:20 Unique 2.31, 3.23 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 62, 63,
igr2=1145,1146,1147,
&end
#
# 80 VAL MG2 77 ALA MB 3.00 (# 2016:20 Unique 3.26, 4.65 A)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1192,1193,1194,
igr2=1145,1146,1147,
&end
#
# 46 LYS HB+ 47 ALA MB 5.50 (# 2017:20 Unique 3.82, 5.52 A)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 668, 669,
igr2= 690, 691, 692,
&end
#
# 0 AMB 20-2:2018 47 ALA MB 4.50 (# 2018:20 Single Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 668, 669, 674, 675,
igr2= 690, 691, 692,
&end
#
# 51 ALA MB 47 ALA MB 3.50 (# 2019:20 Unique 2.84, 5.05 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 745, 746, 747,
igr2= 690, 691, 692,
&end
#
# 0 AMB 20-2:2020 47 ALA MB 3.00 (# 2020:20 Single Ambig)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 761, 762, 763, 220, 221,
igr2= 690, 691, 692,
&end
#
# 62 LEU QD2 47 ALA MB 3.50 (# 2021:20 Unique 2.18, 3.40 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 927, 928, 929,
igr2= 690, 691, 692,
&end
#
# 0 AMB 20-2:2022 47 ALA MB 5.50 (# 2022:20 Single Ambig)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 155, 916,
igr2= 690, 691, 692,
&end
#
# 64 HIS HB+ 47 ALA MB 4.50 (# 2023:20 Unique 2.69, 4.65 A)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 951, 952,
igr2= 690, 691, 692,
&end
#
# 64 HIS HB- 47 ALA MB 4.50 (# 2024:20 Unique 2.69, 4.65 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 951, 952,
igr2= 690, 691, 692,
&end
#
# 62 LEU QD1 47 ALA MB 3.00 (# 2025:20 Unique 2.37, 4.26 A)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 923, 924, 925,
igr2= 690, 691, 692,
&end
#
# 142 ALA HA 142 ALA MB 3.00 (# 2027:20 Unique 2.42, 2.66 A)
&rst
ixpk= 2027, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:2028 142 ALA MB 5.50 (# 2028:20 Single Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 372, 353,
igr2=2197,2198,2199,
&end
#
# 28 GLU HG+ 142 ALA MB 4.50 (# 2029:20 Unique 2.28, 3.95 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 426, 427,
igr2=2197,2198,2199,
&end
#
# 28 GLU HG- 142 ALA MB 3.50 (# 2030:20 Unique 2.28, 3.95 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 426, 427,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:2031 142 ALA MB 4.50 (# 2031:20 Single Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2140,2141,2207,2208,2249,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:2032 142 ALA MB 4.50 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2246,2247,2207,2208,2137,2138, 361, 362,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:2033 142 ALA MB 3.00 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 450, 451, 452, 357, 358, 359,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:2034 142 ALA MB 5.50 (# 2034:20 Single Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 300, 421,
igr2=2197,2198,2199,
&end
#
# 0 AMB 20-2:2035 51 ALA MB 5.50 (# 2035:20 Single Ambig)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 700,1828,
igr2= 745, 746, 747,
&end
#
# 0 AMB 20-2:2037 51 ALA MB 5.50 (# 2037:20 Single Ambig)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 220, 221, 927, 928, 929,
igr2= 745, 746, 747,
&end
#
# 62 LEU QD1 51 ALA MB 4.50 (# 2038:20 Unique 2.77, 3.90 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 923, 924, 925,
igr2= 745, 746, 747,
&end
#
# 51 ALA HA 51 ALA MB 3.00 (# 2039:20 Unique 2.44, 2.68 A)
&rst
ixpk= 2039, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 745, 746, 747,
&end
#
# 16 MET HE1 51 ALA MB 4.50 (# 2040:20 Unique 3.84, 5.34 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 238, 239, 240,
igr2= 745, 746, 747,
&end
#
# 48 THR MG2 51 ALA MB 3.00 (# 2041:20 Unique 2.68, 4.62 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 702, 703, 704,
igr2= 745, 746, 747,
&end
#
# 0 AMB 20-2:2042 51 ALA MB 3.00 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 690, 691, 692, 217, 218,
igr2= 745, 746, 747,
&end
#
# 0 AMB 20-2:2043 51 ALA MB 4.50 (# 2043:20 Single Ambig)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 220, 221, 757, 758, 759, 159, 160, 161, 761, 762,
763,
igr2= 745, 746, 747,
&end
#
# 16 MET HG- 51 ALA MB 3.50 (# 2044:20 Unique 2.36, 3.52 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 234, 235,
igr2= 745, 746, 747,
&end
#
# 0 AMB 20-2:2048 124 ILE QG2 3.00 (# 2048:20 Single Ambig)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1881,1882,1875,
igr2=1877,1878,1879,
&end
#
# 93 SER HA 92 ALA MB 5.50 (# 2049:20 Unique 4.07, 4.83 A)
&rst
ixpk= 2049, nxpk= 20, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:2050 92 ALA MB 3.50 (# 2050:20 Single Ambig)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1453,1333,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:2051 92 ALA MB 3.00 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1388,1498,
igr2=1390,1391,1392,
&end
#
# 99 ARG HD+ 92 ALA MB 4.50 (# 2052:20 Unique 2.19, 4.02 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1506,1507,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:2053 92 ALA MB 5.50 (# 2053:20 Single Ambig)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1335,1336,1414,1415,
igr2=1390,1391,1392,
&end
#
# 102 VAL HB 92 ALA MB 5.50 (# 2054:20 Unique 5.18, 6.61 A)
&rst
ixpk= 2054, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1390,1391,1392,
&end
#
# 99 ARG HG+ 92 ALA MB 4.50 (# 2055:20 Unique 2.12, 4.21 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1503,1504,
igr2=1390,1391,1392,
&end
#
# 97 ARG HB- 92 ALA MB 5.50 (# 2056:20 Unique 3.18, 5.33 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1455,1456,
igr2=1390,1391,1392,
&end
#
# 97 ARG HG- 92 ALA MB 4.50 (# 2057:20 Unique 2.37, 4.42 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1458,1459,
igr2=1390,1391,1392,
&end
#
# 102 VAL MG2 92 ALA MB 4.50 (# 2058:20 Unique 3.64, 6.26 A)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1564,1565,1566,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:2059 124 ILE QG2 4.50 (# 2059:20 Single Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1864,1865,1892,
igr2=1877,1878,1879,
&end
#
# 124 ILE HG1+ 124 ILE QG2 3.00 (# 2060:20 Unique 2.40, 3.13 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1881,1882,
igr2=1877,1878,1879,
&end
#
# 0 AMB 20-2:2061 60 ILE QG2 5.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 918, 919, 283, 284,
igr2= 891, 892, 893,
&end
#
# 60 ILE HA 60 ILE QG2 3.50 (# 2062:20 Unique 2.45, 3.16 A)
&rst
ixpk= 2062, nxpk= 20, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 891, 892, 893,
&end
#
# 0 AMB 20-2:2063 60 ILE QG2 4.50 (# 2063:20 Single Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 281, 344, 345,
igr2= 891, 892, 893,
&end
#
# 0 AMB 20-2:2064 60 ILE QG2 3.50 (# 2064:20 Single Ambig)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 796, 797, 799,
igr2= 891, 892, 893,
&end
#
# 0 AMB 20-2:2065 60 ILE QG2 3.00 (# 2065:20 Single Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 889, 895, 896,
igr2= 891, 892, 893,
&end
#
# 19 ALA MB 60 ILE QG2 3.00 (# 2066:20 Unique 2.21, 3.73 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 273, 274, 275,
igr2= 891, 892, 893,
&end
#
# 139 ARG HA 24 ILE QG2 3.00 (# 2067:20 Unique 2.35, 3.44 A)
&rst
ixpk= 2067, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 357, 358, 359,
&end
#
# 28 GLU HG+ 24 ILE QG2 4.50 (# 2068:20 Unique 2.60, 4.09 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 426, 427,
igr2= 357, 358, 359,
&end
#
# 0 AMB 20-2:2069 24 ILE QG2 3.00 (# 2069:20 Single Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 355,2140,2141,
igr2= 357, 358, 359,
&end
#
# 142 ALA MB 24 ILE QG2 3.00 (# 2070:20 Unique 2.33, 3.25 A)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2197,2198,2199,
igr2= 357, 358, 359,
&end
#
# 0 AMB 20-2:2071 90 ILE QG2 4.50 (# 2071:20 Single Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1400,1401,1409,
igr2=1354,1355,1356,
&end
#
# 0 AMB 20-2:2072 0 AMB 20-1:2072 3.50 (# 2072:20 Double Ambig)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 426, 427,1414,1415,
igr2= 357, 358, 359,1354,1355,1356,
&end
#
# 21 PHE HA 24 ILE QG2 4.50 (# 2073:20 Unique 4.19, 4.79 A)
&rst
ixpk= 2073, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 357, 358, 359,
&end
#
# 24 ILE HA 24 ILE QG2 3.50 (# 2074:20 Unique 2.67, 3.30 A)
&rst
ixpk= 2074, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 357, 358, 359,
&end
#
# 0 AMB 20-2:2075 25 ALA MB 4.50 (# 2075:20 Single Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 322, 323, 322, 323, 478,
igr2= 374, 375, 376,
&end
#
# 30 LEU HB- 25 ALA MB 3.00 (# 2076:20 Unique 2.70, 3.81 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 445, 446,
igr2= 374, 375, 376,
&end
#
# 32 VAL MG1 25 ALA MB 3.50 (# 2078:20 Unique 4.05, 5.36 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 480, 481, 482,
igr2= 374, 375, 376,
&end
#
# 90 ILE HA 90 ILE QG2 3.50 (# 2079:20 Unique 2.53, 3.19 A)
&rst
ixpk= 2079, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1354,1355,1356,
&end
#
# 0 AMB 20-2:2080 90 ILE QG2 3.00 (# 2080:20 Single Ambig)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1358,1359,1352,
igr2=1354,1355,1356,
&end
#
# 90 ILE HG1+ 90 ILE QG2 3.00 (# 2081:20 Unique 2.39, 3.43 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1358,1359,
igr2=1354,1355,1356,
&end
#
# 39 VAL MG2 90 ILE QG2 3.50 (# 2082:20 Unique 2.47, 5.00 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 582, 583, 584,
igr2=1354,1355,1356,
&end
#
# 145 LEU HA 1 MET HE 7.00 (# 2085:20 Unique 3.81, 5.64 A)
&rst
ixpk= 2085, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 15, 16, 17,
&end
#
# 1 MET HA 1 MET HE 5.50 (# 2086:20 Unique 3.52, 4.83 A)
&rst
ixpk= 2086, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 78 ASP HB+ 1 MET HE 4.50 (# 2087:20 Unique 4.12, 5.89 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1155,1156,
igr2= 15, 16, 17,
&end
#
# 78 ASP HB- 1 MET HE 4.50 (# 2088:20 Unique 4.12, 5.89 A)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1155,1156,
igr2= 15, 16, 17,
&end
#
# 1 MET HG+ 1 MET HE 3.00 (# 2089:20 Unique 2.45, 3.32 A)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 1 MET HB- 1 MET HE 4.50 (# 2090:20 Unique 2.47, 4.81 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 8, 9,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:2092 1 MET HE 4.50 (# 2092:20 Single Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2345,2346,2246,2247,
igr2= 15, 16, 17,
&end
#
# 149 ARG HB- 1 MET HE 5.50 (# 2094:20 Unique 2.87, 6.00 A)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2321,2322,
igr2= 15, 16, 17,
&end
#
# 150 ARG HB- 1 MET HE 5.50 (# 2095:20 Unique 2.37, 4.77 A)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2345,2346,
igr2= 15, 16, 17,
&end
#
# 150 ARG HG+ 1 MET HE 4.50 (# 2096:20 Unique 4.00, 6.04 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2348,2349,
igr2= 15, 16, 17,
&end
#
# 3 ILE HG1- 1 MET HE 3.50 (# 2098:20 Unique 2.19, 4.07 A)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 43, 44,
igr2= 15, 16, 17,
&end
#
# 79 LEU HB+ 1 MET HE 3.50 (# 2099:20 Unique 2.22, 3.55 A)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1167,1168,
igr2= 15, 16, 17,
&end
#
# 79 LEU HG 1 MET HE 4.50 (# 2100:20 Unique 4.51, 5.26 A)
&rst
ixpk= 2100, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:2101 1 MET HE 3.00 (# 2101:20 Single Ambig)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2255,2256,2257,2251,2252,2253,
igr2= 15, 16, 17,
&end
#
# 3 ILE QD1 1 MET HE 3.50 (# 2102:20 Unique 2.62, 4.73 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 46, 47, 48,
igr2= 15, 16, 17,
&end
#
# 79 LEU MD2 1 MET HE 3.50 (# 2103:20 Unique 2.28, 3.69 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1176,1177,1178,
igr2= 15, 16, 17,
&end
#
# 3 ILE QG2 1 MET HE 5.50 (# 2105:20 Unique 4.41, 6.14 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2= 15, 16, 17,
&end
#
# 141 LEU HG 1 MET HE 7.00 (# 2106:20 Unique 6.59, 7.53 A)
&rst
ixpk= 2106, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 15, 16, 17,
&end
#
# 119 PRO HA 126 ILE QG2 3.50 (# 2108:20 Unique 2.07, 2.66 A)
&rst
ixpk= 2108, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1908,1909,1910,
&end
#
# 126 ILE HA 126 ILE QG2 3.50 (# 2109:20 Unique 2.47, 3.07 A)
&rst
ixpk= 2109, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1908,1909,1910,
&end
#
# 126 ILE HB 126 ILE QG2 3.00 (# 2110:20 Unique 2.44, 2.66 A)
&rst
ixpk= 2110, nxpk= 20, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1908,1909,1910,
&end
#
# 119 PRO HG- 126 ILE QG2 5.50 (# 2111:20 Unique 4.74, 5.92 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1816,1817,
igr2=1908,1909,1910,
&end
#
# 119 PRO HB- 126 ILE QG2 4.50 (# 2112:20 Unique 2.32, 3.81 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1819,1820,
igr2=1908,1909,1910,
&end
#
# 0 AMB 20-2:2113 126 ILE QG2 3.00 (# 2113:20 Single Ambig)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1819,1820,1912,1913,
igr2=1908,1909,1910,
&end
#
# 117 LEU HG 126 ILE QG2 4.50 (# 2114:20 Unique 3.62, 4.87 A)
&rst
ixpk= 2114, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1908,1909,1910,
&end
#
# 126 ILE QD1 126 ILE QG2 3.00 (# 2115:20 Unique 2.20, 3.79 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1915,1916,1917,
igr2=1908,1909,1910,
&end
#
# 0 AMB 20-2:2117 25 ALA MB 4.50 (# 2117:20 Single Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 382,2195,
igr2= 374, 375, 376,
&end
#
# 22 LYS HA 25 ALA MB 3.50 (# 2118:20 Unique 2.58, 3.51 A)
&rst
ixpk= 2118, nxpk= 20, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 374, 375, 376,
&end
#
# 25 ALA HA 25 ALA MB 3.00 (# 2119:20 Unique 2.47, 2.67 A)
&rst
ixpk= 2119, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 374, 375, 376,
&end
#
# 22 LYS HG- 25 ALA MB 4.50 (# 2120:20 Unique 4.38, 5.64 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 325, 326,
igr2= 374, 375, 376,
&end
#
# 0 AMB 20-2:2121 25 ALA MB 3.00 (# 2121:20 Single Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 445, 446, 325, 326,
igr2= 374, 375, 376,
&end
#
# 3 ILE QD1 25 ALA MB 7.00 (# 2122:20 Unique 6.11, 7.67 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 46, 47, 48,
igr2= 374, 375, 376,
&end
#
# 4 ILE HB 4 ILE QG2 3.00 (# 2127:20 Unique 2.45, 2.68 A)
&rst
ixpk= 2127, nxpk= 20, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 58, 59, 60,
&end
#
# 51 ALA HA 54 ALA MB 4.50 (# 2128:20 Unique 2.71, 3.52 A)
&rst
ixpk= 2128, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 786, 787, 788,
&end
#
# 54 ALA HA 54 ALA MB 3.00 (# 2129:20 Unique 2.43, 2.68 A)
&rst
ixpk= 2129, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 786, 787, 788,
&end
#
# 127 TYR HB+ 54 ALA MB 4.50 (# 2130:20 Unique 2.28, 3.40 A)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1925,1926,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2132 54 ALA MB 4.50 (# 2132:20 Single Ambig)
&rst
ixpk= 2132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1925,1926,1999,2000,
igr2= 786, 787, 788,
&end
#
# 16 MET HE1 54 ALA MB 3.50 (# 2133:20 Unique 2.93, 4.45 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 238, 239, 240,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2134 54 ALA MB 5.50 (# 2134:20 Single Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1946,1947, 771, 772, 835, 836,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2135 54 ALA MB 3.50 (# 2135:20 Single Ambig)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1999,2000, 796, 797,
igr2= 786, 787, 788,
&end
#
# 131 ARG QG 54 ALA MB 4.50 (# 2136:20 Unique 2.50, 5.44 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2002,2003,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2137 54 ALA MB 5.50 (# 2137:20 Single Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1987,1988,1989, 918, 919,
igr2= 786, 787, 788,
&end
#
# 124 ILE QD1 54 ALA MB 3.00 (# 2138:20 Unique 2.40, 3.99 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1884,1885,1886,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2139 4 ILE QG2 4.50 (# 2139:20 Single Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 524, 525, 527, 528,
igr2= 58, 59, 60,
&end
#
# 4 ILE HG1- 4 ILE QG2 4.50 (# 2140:20 Unique 2.46, 3.47 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 62, 63,
igr2= 58, 59, 60,
&end
#
# 37 ALA MB 4 ILE QG2 3.00 (# 2141:20 Unique 2.49, 3.59 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 559, 560, 561,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-2:2142 0 AMB 20-1:2142 4.50 (# 2142:20 Double Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1018, 548, 549, 548, 549, 229,
igr2= 58, 59, 60, 248, 249, 250,
&end
#
# 0 AMB 20-2:2143 0 AMB 20-1:2143 4.50 (# 2143:20 Double Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2053, 283, 284,1186,
igr2= 248, 249, 250, 58, 59, 60,
&end
#
# 134 LEU MD1 17 ALA MB 3.00 (# 2144:20 Unique 2.30, 4.34 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2055,2056,2057,
igr2= 248, 249, 250,
&end
#
# 14 SER HA 17 ALA MB 4.50 (# 2145:20 Unique 2.82, 3.72 A)
&rst
ixpk= 2145, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 248, 249, 250,
&end
#
# 17 ALA HA 17 ALA MB 3.00 (# 2146:20 Unique 2.45, 2.68 A)
&rst
ixpk= 2146, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 248, 249, 250,
&end
#
# 5 PHE HB+ 17 ALA MB 4.50 (# 2147:20 Unique 2.72, 4.14 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 75, 76,
igr2= 248, 249, 250,
&end
#
# 83 MET HE 17 ALA MB 3.00 (# 2148:20 Unique 2.53, 4.09 A)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1238,1239,1240,
igr2= 248, 249, 250,
&end
#
# 0 AMB 20-2:2149 3 ILE QG2 5.50 (# 2149:20 Single Ambig)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 15, 16, 17,2249,
igr2= 39, 40, 41,
&end
#
# 0 AMB 20-2:2150 3 ILE QG2 3.00 (# 2150:20 Single Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 37, 43, 44,
igr2= 39, 40, 41,
&end
#
# 79 LEU HB+ 3 ILE QG2 4.50 (# 2151:20 Unique 2.35, 4.26 A)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1167,1168,
igr2= 39, 40, 41,
&end
#
# 79 LEU HG 3 ILE QG2 3.50 (# 2152:20 Unique 2.54, 3.81 A)
&rst
ixpk= 2152, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 39, 40, 41,
&end
#
# 3 ILE HG1+ 3 ILE QG2 3.00 (# 2153:20 Unique 2.64, 3.60 A)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 43, 44,
igr2= 39, 40, 41,
&end
#
# 3 ILE QD1 3 ILE QG2 3.00 (# 2154:20 Unique 2.22, 3.75 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 46, 47, 48,
igr2= 39, 40, 41,
&end
#
# 0 AMB 20-2:2155 3 ILE QG2 4.50 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1205, 58, 59, 60,
igr2= 39, 40, 41,
&end
#
# 81 LEU MD1 3 ILE QG2 3.50 (# 2156:20 Unique 2.57, 4.19 A)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1207,1208,1209,
igr2= 39, 40, 41,
&end
#
# 16 MET HG- 16 MET HE1 3.00 (# 2160:20 Unique 2.65, 3.77 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 234, 235,
igr2= 238, 239, 240,
&end
#
# 51 ALA HA 16 MET HE1 4.50 (# 2161:20 Unique 3.23, 4.10 A)
&rst
ixpk= 2161, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 238, 239, 240,
&end
#
# 16 MET HA 16 MET HE1 4.50 (# 2162:20 Unique 4.44, 5.13 A)
&rst
ixpk= 2162, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 238, 239, 240,
&end
#
# 127 TYR HA 16 MET HE1 4.50 (# 2163:20 Unique 3.08, 4.34 A)
&rst
ixpk= 2163, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:2164 16 MET HE1 4.50 (# 2164:20 Single Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1925,1926, 180,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:2165 16 MET HE1 4.50 (# 2165:20 Single Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1925,1926,1999,2000,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:2167 16 MET HE1 3.00 (# 2167:20 Single Ambig)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 231, 232,1999,2000, 185, 186,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:2168 16 MET HE1 3.50 (# 2168:20 Single Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 745, 746, 747,2002,2003,
igr2= 238, 239, 240,
&end
#
# 54 ALA MB 16 MET HE1 3.50 (# 2169:20 Unique 2.93, 4.45 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 786, 787, 788,
igr2= 238, 239, 240,
&end
#
# 119 PRO HG+ 16 MET HE1 5.50 (# 2170:20 Unique 2.76, 4.89 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1816,1817,
igr2= 238, 239, 240,
&end
#
# 119 PRO HG- 16 MET HE1 5.50 (# 2171:20 Unique 2.76, 4.89 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1816,1817,
igr2= 238, 239, 240,
&end
#
# 130 THR MG2 16 MET HE1 3.00 (# 2172:20 Unique 2.24, 3.81 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1987,1988,1989,
igr2= 238, 239, 240,
&end
#
# 134 LEU MD1 16 MET HE1 4.50 (# 2173:20 Unique 5.36, 7.00 A)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2055,2056,2057,
igr2= 238, 239, 240,
&end
#
# 62 LEU QD1 16 MET HE1 5.50 (# 2174:20 Unique 4.62, 6.18 A)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 923, 924, 925,
igr2= 238, 239, 240,
&end
#
# 21 PHE HA 24 ILE QD1 4.50 (# 2176:20 Unique 2.83, 4.20 A)
&rst
ixpk= 2176, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 364, 365, 366,
&end
#
# 139 ARG HA 24 ILE QD1 3.50 (# 2177:20 Unique 2.60, 3.75 A)
&rst
ixpk= 2177, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 364, 365, 366,
&end
#
# 20 LEU HA 24 ILE QD1 5.50 (# 2178:20 Unique 4.35, 5.57 A)
&rst
ixpk= 2178, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-2:2179 24 ILE QD1 4.50 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 246,
igr2= 364, 365, 366,
&end
#
# 135 GLU HG+ 24 ILE QD1 3.50 (# 2180:20 Unique 2.21, 3.84 A)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2072,2073,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-2:2181 24 ILE QD1 3.00 (# 2181:20 Single Ambig)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 361, 362,2137,2138, 283, 284,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-2:2182 24 ILE QD1 3.00 (# 2182:20 Single Ambig)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2140,2141, 355,
igr2= 364, 365, 366,
&end
#
# 24 ILE HG1+ 24 ILE QD1 3.00 (# 2183:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 361, 362,
igr2= 364, 365, 366,
&end
#
# 0 AMB 20-2:2184 74 MET HE 5.50 (# 2184:20 Single Ambig)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1051,1369,
igr2=1109,1110,1111,
&end
#
# 101 LYS HB+ 74 MET HE 4.50 (# 2185:20 Unique 2.26, 5.04 A)
&rst
ixpk= 2185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1536,1537,
igr2=1109,1110,1111,
&end
#
# 101 LYS HB- 74 MET HE 4.50 (# 2186:20 Unique 2.26, 5.04 A)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1536,1537,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:2187 74 MET HE 3.00 (# 2187:20 Single Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1479,1480,1428,1429,
igr2=1109,1110,1111,
&end
#
# 74 MET HG+ 74 MET HE 3.50 (# 2188:20 Unique 2.56, 3.69 A)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1105,1106,
igr2=1109,1110,1111,
&end
#
# 102 VAL MG2 74 MET HE 4.50 (# 2189:20 Unique 2.59, 4.57 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1564,1565,1566,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:2190 74 MET HE 3.50 (# 2190:20 Single Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1545,1546,1428,1429,
igr2=1109,1110,1111,
&end
#
# 98 TYR HB+ 74 MET HE 3.50 (# 2191:20 Unique 2.32, 3.50 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1479,1480,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:2192 74 MET HE 4.50 (# 2192:20 Single Ambig)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1186,1377,1378,
igr2=1109,1110,1111,
&end
#
# 91 ILE QG2 74 MET HE 4.50 (# 2193:20 Unique 3.34, 4.30 A)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1373,1374,1375,
igr2=1109,1110,1111,
&end
#
# 80 VAL MG2 74 MET HE 3.50 (# 2194:20 Unique 2.34, 4.17 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1192,1193,1194,
igr2=1109,1110,1111,
&end
#
# 88 LYS HA 91 ILE QD1 4.50 (# 2195:20 Unique 2.20, 3.42 A)
&rst
ixpk= 2195, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1380,1381,1382,
&end
#
# 102 VAL HB 91 ILE QD1 5.50 (# 2196:20 Unique 3.59, 5.50 A)
&rst
ixpk= 2196, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1380,1381,1382,
&end
#
# 91 ILE HB 91 ILE QD1 3.50 (# 2197:20 Unique 2.34, 3.05 A)
&rst
ixpk= 2197, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1380,1381,1382,
&end
#
# 6 VAL HB 91 ILE QD1 4.50 (# 2198:20 Unique 4.19, 5.03 A)
&rst
ixpk= 2198, nxpk= 20, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1380,1381,1382,
&end
#
# 91 ILE QG2 91 ILE QD1 3.00 (# 2199:20 Unique 2.17, 3.81 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1373,1374,1375,
igr2=1380,1381,1382,
&end
#
# 102 VAL MG2 91 ILE QD1 3.00 (# 2200:20 Unique 3.31, 4.84 A)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1564,1565,1566,
igr2=1380,1381,1382,
&end
#
# 82 ALA MB 91 ILE QD1 3.50 (# 2201:20 Unique 2.44, 3.71 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1221,1222,1223,
igr2=1380,1381,1382,
&end
#
# 50 HIS HA 124 ILE QD1 4.50 (# 2202:20 Unique 2.51, 3.74 A)
&rst
ixpk= 2202, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1884,1885,1886,
&end
#
# 54 ALA HA 124 ILE QD1 5.50 (# 2203:20 Unique 2.32, 3.32 A)
&rst
ixpk= 2203, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1884,1885,1886,
&end
#
# 53 GLU HG+ 124 ILE QD1 5.50 (# 2205:20 Unique 2.57, 4.02 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 774, 775,
igr2=1884,1885,1886,
&end
#
# 53 GLU HB+ 124 ILE QD1 3.50 (# 2206:20 Unique 2.21, 4.05 A)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 771, 772,
igr2=1884,1885,1886,
&end
#
# 0 AMB 20-2:2207 124 ILE QD1 3.50 (# 2207:20 Single Ambig)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 771, 772,1946,1947,
igr2=1884,1885,1886,
&end
#
# 131 ARG HB- 124 ILE QD1 7.00 (# 2208:20 Unique 6.11, 7.84 A)
&rst
ixpk= 2208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1999,2000,
igr2=1884,1885,1886,
&end
#
# 0 AMB 20-2:2209 124 ILE QD1 3.00 (# 2209:20 Single Ambig)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1881,1882,1875,
igr2=1884,1885,1886,
&end
#
# 124 ILE HG1+ 124 ILE QD1 3.00 (# 2210:20 Unique 2.34, 2.66 A)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1881,1882,
igr2=1884,1885,1886,
&end
#
# 127 TYR HB- 124 ILE QD1 5.50 (# 2212:20 Unique 2.42, 3.98 A)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1925,1926,
igr2=1884,1885,1886,
&end
#
# 127 TYR HB+ 124 ILE QD1 5.50 (# 2214:20 Unique 2.42, 3.98 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1925,1926,
igr2=1884,1885,1886,
&end
#
# 79 LEU HB+ 3 ILE QD1 4.50 (# 2217:20 Unique 4.06, 5.14 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1167,1168,
igr2= 46, 47, 48,
&end
#
# 0 AMB 20-2:2218 3 ILE QD1 3.00 (# 2218:20 Single Ambig)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 43, 44, 37,
igr2= 46, 47, 48,
&end
#
# 34 VAL MG1 3 ILE QD1 3.50 (# 2219:20 Unique 2.32, 3.91 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 510, 511, 512,
igr2= 46, 47, 48,
&end
#
# 0 AMB 20-2:2220 3 ILE QD1 3.50 (# 2220:20 Single Ambig)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 484, 485, 486,2183,2184,2185,
igr2= 46, 47, 48,
&end
#
# 81 LEU MD1 3 ILE QD1 3.50 (# 2221:20 Unique 3.63, 5.62 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1207,1208,1209,
igr2= 46, 47, 48,
&end
#
# 0 AMB 20-2:2222 4 ILE QD1 4.50 (# 2222:20 Single Ambig)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1081,1134,1135,
igr2= 65, 66, 67,
&end
#
# 0 AMB 20-2:2223 4 ILE QD1 5.50 (# 2223:20 Single Ambig)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 527, 528, 524, 525,
igr2= 65, 66, 67,
&end
#
# 0 AMB 20-2:2224 4 ILE QD1 3.50 (# 2224:20 Single Ambig)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1083,1084,1109,1110,1111,1542,1543,
igr2= 65, 66, 67,
&end
#
# 4 ILE HB 4 ILE QD1 4.50 (# 2225:20 Unique 2.41, 3.01 A)
&rst
ixpk= 2225, nxpk= 20, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 65, 66, 67,
&end
#
# 4 ILE HG1- 4 ILE QD1 3.00 (# 2226:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 62, 63,
igr2= 65, 66, 67,
&end
#
# 77 ALA MB 4 ILE QD1 3.00 (# 2227:20 Unique 2.27, 3.38 A)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1145,1146,1147,
igr2= 65, 66, 67,
&end
#
# 73 LEU MD2 4 ILE QD1 3.50 (# 2228:20 Unique 2.99, 4.57 A)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1092,1093,1094,
igr2= 65, 66, 67,
&end
#
# 73 LEU MD1 4 ILE QD1 3.00 (# 2229:20 Unique 3.36, 4.80 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1088,1089,1090,
igr2= 65, 66, 67,
&end
#
# 3 ILE QG2 3 ILE QD1 3.00 (# 2230:20 Unique 2.22, 3.75 A)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 39, 40, 41,
igr2= 46, 47, 48,
&end
#
# 1 MET HG+ 3 ILE QD1 4.50 (# 2231:20 Unique 2.83, 4.33 A)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 11, 12,
igr2= 46, 47, 48,
&end
#
# 1 MET HE 3 ILE QD1 3.50 (# 2232:20 Unique 2.62, 4.73 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 15, 16, 17,
igr2= 46, 47, 48,
&end
#
# 141 LEU HG 3 ILE QD1 5.50 (# 2233:20 Unique 4.86, 5.95 A)
&rst
ixpk= 2233, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 46, 47, 48,
&end
#
# 87 HIS HA 90 ILE QD1 3.50 (# 2234:20 Unique 2.27, 3.49 A)
&rst
ixpk= 2234, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1361,1362,1363,
&end
#
# 90 ILE HA 90 ILE QD1 4.50 (# 2235:20 Unique 4.60, 4.70 A)
&rst
ixpk= 2235, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1361,1362,1363,
&end
#
# 86 GLN HG+ 90 ILE QD1 5.50 (# 2236:20 Unique 2.38, 3.69 A)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1282,1283,
igr2=1361,1362,1363,
&end
#
# 86 GLN HG- 90 ILE QD1 4.50 (# 2237:20 Unique 2.38, 3.69 A)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1282,1283,
igr2=1361,1362,1363,
&end
#
# 89 GLN HB- 90 ILE QD1 5.50 (# 2238:20 Unique 5.25, 6.35 A)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1335,1336,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:2239 90 ILE QD1 3.00 (# 2239:20 Single Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1358,1359,1352,
igr2=1361,1362,1363,
&end
#
# 8 THR MG2 90 ILE QD1 3.50 (# 2240:20 Unique 3.49, 4.65 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 124, 125, 126,
igr2=1361,1362,1363,
&end
#
# 90 ILE HG1+ 90 ILE QD1 3.00 (# 2241:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1358,1359,
igr2=1361,1362,1363,
&end
#
# 39 VAL MG1 90 ILE QD1 3.50 (# 2242:20 Unique 3.01, 5.16 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 578, 579, 580,
igr2=1361,1362,1363,
&end
#
# 39 VAL MG2 90 ILE QD1 3.50 (# 2243:20 Unique 2.53, 5.18 A)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 582, 583, 584,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:2245 60 ILE QD1 4.50 (# 2245:20 Single Ambig)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 887, 848,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2246 60 ILE QD1 3.00 (# 2246:20 Single Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 281, 794,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2247 60 ILE QD1 3.50 (# 2247:20 Single Ambig)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 796, 797, 799,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2248 60 ILE QD1 3.00 (# 2248:20 Single Ambig)
&rst
ixpk= 2248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 856, 857, 895, 896, 889,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2249 60 ILE QD1 4.50 (# 2249:20 Single Ambig)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 283, 284, 918, 919,
igr2= 898, 899, 900,
&end
#
# 58 LYS HB+ 60 ILE QD1 4.50 (# 2250:20 Unique 2.35, 4.19 A)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 850, 851,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2251 60 ILE QD1 4.50 (# 2251:20 Single Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 856, 857, 850, 851,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2254 126 ILE QD1 5.50 (# 2254:20 Single Ambig)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1892,1822,
igr2=1915,1916,1917,
&end
#
# 126 ILE HA 126 ILE QD1 3.50 (# 2255:20 Unique 2.30, 3.10 A)
&rst
ixpk= 2255, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1915,1916,1917,
&end
#
# 129 GLN HB- 126 ILE QD1 5.50 (# 2256:20 Unique 4.36, 5.84 A)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1968,1969,
igr2=1915,1916,1917,
&end
#
# 0 AMB 20-2:2257 126 ILE QD1 4.50 (# 2257:20 Single Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1906,1968,1969,
igr2=1915,1916,1917,
&end
#
# 126 ILE HG1- 126 ILE QD1 3.50 (# 2258:20 Unique 2.42, 2.66 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1912,1913,
igr2=1915,1916,1917,
&end
#
# 117 LEU HG 126 ILE QD1 5.50 (# 2259:20 Unique 5.49, 6.85 A)
&rst
ixpk= 2259, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1915,1916,1917,
&end
#
# 126 ILE QG2 126 ILE QD1 3.00 (# 2261:20 Unique 2.20, 3.79 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1908,1909,1910,
igr2=1915,1916,1917,
&end
#
# 1 MET HE 79 LEU HB+ 5.50 (# 2262:20 Unique 2.22, 3.55 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2=1167,1168,
&end
#
# 3 ILE HG1- 79 LEU HB+ 4.50 (# 2263:20 Unique 2.25, 3.58 A)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 43, 44,
igr2=1167,1168,
&end
#
# 79 LEU HG 79 LEU HB+ 3.00 (# 2264:20 Unique 2.50, 2.79 A)
&rst
ixpk= 2264, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1167,1168,
&end
#
# 3 ILE HG1+ 79 LEU HB+ 4.50 (# 2265:20 Unique 2.25, 3.58 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 43, 44,
igr2=1167,1168,
&end
#
# 79 LEU MD2 79 LEU HB+ 3.50 (# 2266:20 Unique 2.42, 3.13 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1176,1177,1178,
igr2=1167,1168,
&end
#
# 79 LEU MD1 79 LEU HB+ 3.50 (# 2267:20 Unique 2.43, 3.52 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1172,1173,1174,
igr2=1167,1168,
&end
#
# 105 LEU HN 104 THR HA 5.50 (# 2268:20 Unique 2.32, 2.34 A)
&rst
ixpk= 2268, nxpk= 20, iat=1604,1592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE HN 102 VAL HA 4.50 (# 2269:20 Unique 2.16, 2.19 A)
&rst
ixpk= 2269, nxpk= 20, iat=1570,1556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 CYS HN 6 VAL HA 3.50 (# 2270:20 Unique 2.02, 2.07 A)
&rst
ixpk= 2270, nxpk= 20, iat= 107, 93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2271 34 VAL HA 5.50 (# 2271:20 Single Ambig)
&rst
ixpk= 2271, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 33, 504,
&end
#
# 35 ARG HN 34 VAL HA 3.50 (# 2272:20 Unique 2.14, 2.27 A)
&rst
ixpk= 2272, nxpk= 20, iat= 520, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2273 36 SER HA 4.50 (# 2273:20 Single Ambig)
&rst
ixpk= 2273, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 555, 544,
&end
#
# 6 VAL HN 5 PHE HA 4.50 (# 2274:20 Unique 2.26, 2.28 A)
&rst
ixpk= 2274, nxpk= 20, iat= 91, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 PHE QD 5 PHE HA 4.50 (# 2275:20 Unique 2.65, 3.52 A)
&rst
ixpk= 2275, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 79, 87,
&end
#
# 98 TYR QD 98 TYR HA 4.50 (# 2276:20 Unique 2.21, 3.48 A)
&rst
ixpk= 2276, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1483,1492,
&end
#
# 40 PHE QD 40 PHE HA 4.50 (# 2277:20 Unique 2.34, 3.55 A)
&rst
ixpk= 2277, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 596, 604,
&end
#
# 96 GLY HN 95 PHE HA 5.50 (# 2278:20 Unique 3.35, 3.39 A)
&rst
ixpk= 2278, nxpk= 20, iat=1444,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE QD 95 PHE HA 4.50 (# 2279:20 Unique 2.08, 3.39 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1432,1440,
&end
#
# 47 ALA HN 46 LYS HA 5.50 (# 2280:20 Unique 2.04, 2.29 A)
&rst
ixpk= 2280, nxpk= 20, iat= 686, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER HN 35 ARG HA 4.50 (# 2281:20 Unique 2.35, 2.44 A)
&rst
ixpk= 2281, nxpk= 20, iat= 544, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ARG HN 35 ARG HA 5.50 (# 2282:20 Unique 2.94, 2.95 A)
&rst
ixpk= 2282, nxpk= 20, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ILE HN 2 ASP HA 3.00 (# 2283:20 Unique 2.19, 2.22 A)
&rst
ixpk= 2283, nxpk= 20, iat= 33, 23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 116 VAL HN 115 ASP HA 2.60 (# 2284:20 Unique 2.31, 2.43 A)
&rst
ixpk= 2284, nxpk= 20, iat=1765,1755, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 34 VAL HN 33 ASN HA 3.00 (# 2286:20 Unique 2.25, 2.35 A)
&rst
ixpk= 2286, nxpk= 20, iat= 504, 492, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 HIS HA 113 HIS HB- 2.60 (# 2287:20 Unique 2.36, 2.56 A)
&rst
ixpk= 2287, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1733,1734,
&end
#
# 0 AMB 20-2:2289 82 ALA HA 3.50 (# 2289:20 Single Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1227, 91,
&end
#
# 0 AMB 20-2:2301 131 ARG QD 4.50 (# 2301:20 Single Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1985, 784,
igr2=2005,2006,
&end
#
# 149 ARG HA 149 ARG HD+ 4.50 (# 2302:20 Unique 2.44, 4.19 A)
&rst
ixpk= 2302, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2327,2328,
&end
#
# 0 AMB 20-2:2303 0 AMB 20-1:2303 3.80 (# 2303:20 Double Ambig)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2343,2082,
igr2=2351,2352,2143,2144,2327,2328,
&end
#
# 0 AMB 20-2:2304 0 AMB 20-1:2304 4.50 (# 2304:20 Double Ambig)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 271,2263,
igr2= 331, 332,2274,2275,
&end
#
# 144 GLN HA 147 LYS HE+ 5.50 (# 2305:20 Unique 2.50, 3.65 A)
&rst
ixpk= 2305, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2296,2297,
&end
#
# 0 AMB 20-2:2306 0 AMB 20-1:2306 5.50 (# 2306:20 Double Ambig)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2205,1783,
igr2=2274,2275,1804,1805,
&end
#
# 56 PHE HA 56 PHE HB- 3.50 (# 2307:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2307, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 815, 816,
&end
#
# 53 GLU HA 56 PHE HB+ 3.50 (# 2308:20 Unique 2.26, 2.79 A)
&rst
ixpk= 2308, nxpk= 20, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 815, 816,
&end
#
# 44 ASN HA 44 ASN HB+ 3.50 (# 2309:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2309, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 647, 648,
&end
#
# 113 HIS HA 113 HIS HB+ 2.60 (# 2310:20 Unique 2.36, 2.56 A)
&rst
ixpk= 2310, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1733,1734,
&end
#
# 59 HIS HA 59 HIS HB+ 4.50 (# 2311:20 Unique 2.31, 2.72 A)
&rst
ixpk= 2311, nxpk= 20, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 872, 873,
&end
#
# 59 HIS HA 59 HIS HB- 4.50 (# 2312:20 Unique 2.31, 2.72 A)
&rst
ixpk= 2312, nxpk= 20, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 872, 873,
&end
#
# 113 HIS HN 112 SER HA 2.30 (# 2314:20 Unique 2.21, 2.29 A)
&rst
ixpk= 2314, nxpk= 20, iat=1729,1720, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 112 SER HB+ 112 SER HA 2.80 (# 2315:20 Unique 2.45, 2.76 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1722,1723,
&end
#
# 112 SER HB- 112 SER HA 2.80 (# 2316:20 Unique 2.45, 2.76 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1722,1723,
&end
#
# 114 GLY HN 113 HIS HA 2.30 (# 2317:20 Unique 2.20, 2.27 A)
&rst
ixpk= 2317, nxpk= 20, iat=1746,1731, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 113 HIS HD2 113 HIS HA 4.60 (# 2319:20 Unique 2.56, 4.60 A)
&rst
ixpk= 2319, nxpk= 20, iat=1742,1731, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 20-2:2322 0 AMB 20-1:2322 3.50 (# 2322:20 Double Ambig)
&rst
ixpk= 2322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1649,1650, 771, 772,
igr2=1731, 726,
&end
#
# 0 AMB 20-2:2323 0 AMB 20-1:2323 4.50 (# 2323:20 Double Ambig)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1649,1650, 771, 772,
igr2=1731, 726,
&end
#
# 115 ASP HB+ 115 ASP HA 2.80 (# 2328:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2328, nxpk= 20, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1757,1758,
&end
#
# 115 ASP HB- 115 ASP HA 2.80 (# 2329:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2329, nxpk= 20, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1757,1758,
&end
#
# 116 VAL MG2 115 ASP HA 5.50 (# 2330:20 Unique 3.45, 4.67 A)
&rst
ixpk= 2330, nxpk= 20, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1775,1776,1777,
&end
#
# 115 ASP HN 115 ASP HA 2.90 (# 2331:20 Unique 2.90, 2.96 A)
&rst
ixpk= 2331, nxpk= 20, iat=1753,1755, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 116 VAL HN 116 VAL HA 5.50 (# 2332:20 Unique 2.90, 2.95 A)
&rst
ixpk= 2332, nxpk= 20, iat=1765,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HE+ 116 VAL HA 5.50 (# 2333:20 Unique 2.42, 3.65 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1636,1637,
&end
#
# 106 LYS HE- 116 VAL HA 5.50 (# 2334:20 Unique 2.42, 3.65 A)
&rst
ixpk= 2334, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1636,1637,
&end
#
# 117 LEU HB+ 116 VAL HA 5.50 (# 2335:20 Unique 3.75, 4.81 A)
&rst
ixpk= 2335, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1785,1786,
&end
#
# 116 VAL HB 116 VAL HA 5.50 (# 2336:20 Unique 2.97, 3.03 A)
&rst
ixpk= 2336, nxpk= 20, iat=1769,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2337 116 VAL HA 5.50 (# 2337:20 Single Ambig)
&rst
ixpk= 2337, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1785,1786,1633,1634,
&end
#
# 0 AMB 20-2:2338 116 VAL HA 5.50 (# 2338:20 Single Ambig)
&rst
ixpk= 2338, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1611,1790,1791,1792,
&end
#
# 0 AMB 20-2:2339 0 AMB 20-1:2339 4.50 (# 2339:20 Double Ambig)
&rst
ixpk= 2339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 813,1767, 887,
igr2= 870,1783,
&end
#
# 118 ASP HB- 117 LEU HA 5.50 (# 2340:20 Unique 4.44, 4.70 A)
&rst
ixpk= 2340, nxpk= 20, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1804,1805,
&end
#
# 117 LEU HG 117 LEU HA 5.50 (# 2341:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2341, nxpk= 20, iat=1788,1783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LEU MD1 117 LEU HA 4.50 (# 2342:20 Unique 3.24, 4.50 A)
&rst
ixpk= 2342, nxpk= 20, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1790,1791,1792,
&end
#
# 116 VAL MG1 117 LEU HA 5.50 (# 2343:20 Unique 4.39, 5.48 A)
&rst
ixpk= 2343, nxpk= 20, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1771,1772,1773,
&end
#
# 116 VAL HA 117 LEU HB+ 5.50 (# 2344:20 Unique 3.75, 4.81 A)
&rst
ixpk= 2344, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 130 THR HA 117 LEU HB+ 5.50 (# 2345:20 Unique 2.46, 3.47 A)
&rst
ixpk= 2345, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 130 THR HA 117 LEU HB- 5.50 (# 2346:20 Unique 2.46, 3.47 A)
&rst
ixpk= 2346, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 0 AMB 20-2:2347 0 AMB 20-1:2347 5.50 (# 2347:20 Double Ambig)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1800,1981,
igr2=1785,1786,1785,1786,
&end
#
# 0 AMB 20-2:2348 117 LEU HB- 5.50 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1800,1981,
igr2=1785,1786,
&end
#
# 117 LEU HA 117 LEU HG 5.50 (# 2349:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2349, nxpk= 20, iat=1783,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2350 0 AMB 20-1:2350 5.50 (# 2350:20 Double Ambig)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1800, 933,
igr2=1788, 921,
&end
#
# 117 LEU HN 117 LEU HG 5.50 (# 2351:20 Unique 3.69, 4.34 A)
&rst
ixpk= 2351, nxpk= 20, iat=1781,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ASP HB- 118 ASP HA 7.00 (# 2352:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2352, nxpk= 20, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1804,1805,
&end
#
# 118 ASP HB+ 118 ASP HA 5.50 (# 2353:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2353, nxpk= 20, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1804,1805,
&end
#
# 130 THR MG2 118 ASP HA 5.50 (# 2354:20 Unique 4.31, 5.52 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1987,1988,1989,
&end
#
# 118 ASP HA 118 ASP HB+ 5.50 (# 2355:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2355, nxpk= 20, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1804,1805,
&end
#
# 118 ASP HA 118 ASP HB- 5.50 (# 2356:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2356, nxpk= 20, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1804,1805,
&end
#
# 0 AMB 20-2:2358 109 VAL HB 5.50 (# 2358:20 Single Ambig)
&rst
ixpk= 2358, nxpk= 20, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2232,2233,2164,2165,
&end
#
# 0 AMB 20-2:2361 109 VAL MG2 5.50 (# 2361:20 Single Ambig)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2164,2165,1636,1637,
igr2=1691,1692,1693,
&end
#
# 108 TYR HA 109 VAL MG2 5.50 (# 2362:20 Unique 4.66, 5.50 A)
&rst
ixpk= 2362, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 110 THR HA 109 VAL MG2 5.50 (# 2364:20 Unique 6.43, 6.67 A)
&rst
ixpk= 2364, nxpk= 20, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 144 GLN HE2+ 109 VAL MG2 5.50 (# 2365:20 Unique 2.54, 5.22 A)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=1691,1692,1693,
&end
#
# 108 TYR HD2 109 VAL MG2 5.50 (# 2367:20 Unique 2.28, 3.00 A)
&rst
ixpk= 2367, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 144 GLN HE2- 109 VAL MG2 5.50 (# 2369:20 Unique 2.54, 5.22 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=1691,1692,1693,
&end
#
# 106 LYS HB+ 109 VAL MG2 5.50 (# 2371:20 Unique 5.89, 7.36 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1627,1628,
igr2=1691,1692,1693,
&end
#
# 24 ILE HN 23 SER HA 5.50 (# 2373:20 Unique 3.55, 3.57 A)
&rst
ixpk= 2373, nxpk= 20, iat= 351, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HN 23 SER HA 5.50 (# 2374:20 Unique 5.29, 5.32 A)
&rst
ixpk= 2374, nxpk= 20, iat= 318, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HA 23 SER HA 5.50 (# 2375:20 Unique 5.50, 5.52 A)
&rst
ixpk= 2375, nxpk= 20, iat= 281, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HN 23 SER HA 5.50 (# 2379:20 Unique 4.43, 4.45 A)
&rst
ixpk= 2379, nxpk= 20, iat= 370, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR QD 95 PHE HB- 5.50 (# 2380:20 Unique 2.61, 4.36 A)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1483,1492,
igr2=1428,1429,
&end
#
# 95 PHE HA 95 PHE HB- 5.50 (# 2381:20 Unique 2.49, 2.77 A)
&rst
ixpk= 2381, nxpk= 20, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 0 AMB 20-2:2385 95 PHE HB- 4.50 (# 2385:20 Single Ambig)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1369,1051,
igr2=1428,1429,
&end
#
# 74 MET HE 95 PHE HB- 5.50 (# 2388:20 Unique 3.19, 4.76 A)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1109,1110,1111,
igr2=1428,1429,
&end
#
# 91 ILE QG2 95 PHE HB- 5.50 (# 2389:20 Unique 3.64, 5.03 A)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,
igr2=1428,1429,
&end
#
# 123 SER HB+ 123 SER HA 4.50 (# 2402:20 Unique 2.38, 2.47 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 123 SER HB- 123 SER HA 4.50 (# 2403:20 Unique 2.38, 2.47 A)
&rst
ixpk= 2403, nxpk= 20, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 0 AMB 20-2:2404 123 SER HA 5.50 (# 2404:20 Single Ambig)
&rst
ixpk= 2404, nxpk= 20, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1875,1881,1882,
&end
#
# 0 AMB 20-2:2405 123 SER HA 5.50 (# 2405:20 Single Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1877,1878,1879,1884,1885,1886,
&end
#
# 125 ASP HN 123 SER HA 5.50 (# 2406:20 Unique 4.22, 4.30 A)
&rst
ixpk= 2406, nxpk= 20, iat=1890,1862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ILE HN 124 ILE HA 5.50 (# 2408:20 Unique 2.79, 2.80 A)
&rst
ixpk= 2408, nxpk= 20, iat=1871,1873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HN 108 TYR HA 4.50 (# 2409:20 Unique 2.79, 2.81 A)
&rst
ixpk= 2409, nxpk= 20, iat=1660,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2410 0 AMB 20-1:2410 5.50 (# 2410:20 Double Ambig)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1681,1890,
igr2=1662,1873,
&end
#
# 0 AMB 20-2:2411 0 AMB 20-1:2411 5.50 (# 2411:20 Double Ambig)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1929,1578,1586,2237,2238,
igr2=1873,1662,
&end
#
# 108 TYR QE 108 TYR HA 5.50 (# 2412:20 Unique 4.56, 5.25 A)
&rst
ixpk= 2412, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1670,1675,
&end
#
# 0 AMB 20-2:2413 108 TYR HA 4.50 (# 2413:20 Single Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1586,1668,
&end
#
# 0 AMB 20-2:2415 0 AMB 20-1:2415 5.50 (# 2415:20 Double Ambig)
&rst
ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1683,1892,
igr2=1662,1873,
&end
#
# 0 AMB 20-2:2416 0 AMB 20-1:2416 7.00 (# 2416:20 Double Ambig)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1205,1819,1820,
igr2=1662,1873,
&end
#
# 124 ILE QD1 124 ILE HA 3.00 (# 2417:20 Unique 2.28, 3.03 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1884,1885,1886,
&end
#
# 124 ILE HG1+ 124 ILE HA 5.50 (# 2418:20 Unique 2.48, 3.47 A)
&rst
ixpk= 2418, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1881,1882,
&end
#
# 0 AMB 20-2:2419 124 ILE HA 3.50 (# 2419:20 Single Ambig)
&rst
ixpk= 2419, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1875,1881,1882,
&end
#
# 0 AMB 20-2:2420 0 AMB 20-1:2420 5.50 (# 2420:20 Double Ambig)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 728,1649,1650, 771, 772, 774, 775,
igr2=1873,1662,
&end
#
# 127 TYR HB- 124 ILE HA 5.50 (# 2421:20 Unique 2.27, 3.40 A)
&rst
ixpk= 2421, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 108 TYR HB- 108 TYR HA 4.50 (# 2422:20 Unique 2.49, 2.77 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1664,1665,
&end
#
# 127 TYR HB+ 124 ILE HA 5.50 (# 2423:20 Unique 2.27, 3.40 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 107 GLU HG+ 108 TYR HA 5.50 (# 2424:20 Unique 3.55, 4.40 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1652,1653,
&end
#
# 124 ILE HG1+ 124 ILE HB 5.50 (# 2425:20 Unique 2.37, 2.71 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1,1875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1881,1882,
&end
#
# 124 ILE HA 124 ILE HB 5.50 (# 2426:20 Unique 2.40, 2.44 A)
&rst
ixpk= 2426, nxpk= 20, iat=1873,1875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ILE HA 124 ILE HG1+ 5.50 (# 2427:20 Unique 2.48, 3.47 A)
&rst
ixpk= 2427, nxpk= 20, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1881,1882,
&end
#
# 125 ASP HB- 124 ILE QG2 5.50 (# 2429:20 Unique 3.58, 4.98 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1894,1895,
igr2=1877,1878,1879,
&end
#
# 125 ASP HB+ 124 ILE QG2 5.50 (# 2430:20 Unique 3.58, 4.98 A)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1894,1895,
igr2=1877,1878,1879,
&end
#
# 53 GLU HG+ 124 ILE QG2 5.50 (# 2431:20 Unique 4.55, 6.11 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 774, 775,
igr2=1877,1878,1879,
&end
#
# 124 ILE HA 124 ILE QG2 3.50 (# 2432:20 Unique 3.76, 3.98 A)
&rst
ixpk= 2432, nxpk= 20, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1877,1878,1879,
&end
#
# 123 SER HA 124 ILE QG2 5.50 (# 2433:20 Unique 4.31, 5.39 A)
&rst
ixpk= 2433, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1877,1878,1879,
&end
#
# 124 ILE QG2 125 ASP HB+ 5.50 (# 2435:20 Unique 3.58, 4.98 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1877,1878,1879,
igr2=1894,1895,
&end
#
# 124 ILE QG2 125 ASP HB- 5.50 (# 2436:20 Unique 3.58, 4.98 A)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1877,1878,1879,
igr2=1894,1895,
&end
#
# 126 ILE HN 126 ILE HA 5.50 (# 2438:20 Unique 2.87, 2.89 A)
&rst
ixpk= 2438, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 SER HA 93 SER HB+ 3.00 (# 2439:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2439, nxpk= 20, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1400,1401,
&end
#
# 23 SER HA 23 SER HB+ 3.50 (# 2440:20 Unique 2.30, 2.71 A)
&rst
ixpk= 2440, nxpk= 20, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:2442 126 ILE HB 4.50 (# 2442:20 Single Ambig)
&rst
ixpk= 2442, nxpk= 20, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1912,1913,1819,1820,
&end
#
# 123 SER HN 126 ILE HG1- 5.50 (# 2443:20 Unique 2.04, 2.40 A)
&rst
ixpk= 2443, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 123 SER HN 126 ILE HG1+ 5.50 (# 2444:20 Unique 2.04, 2.40 A)
&rst
ixpk= 2444, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 0 AMB 20-2:2445 126 ILE HG1- 7.00 (# 2445:20 Single Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1921,1890,
igr2=1912,1913,
&end
#
# 0 AMB 20-2:2446 0 AMB 20-1:2446 5.50 (# 2446:20 Double Ambig)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1921,1890,
igr2=1912,1913,1912,1913,
&end
#
# 0 AMB 20-2:2448 0 AMB 20-1:2448 5.50 (# 2448:20 Double Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1864,1865,1822,1892,
igr2=1912,1913,1912,1913,1912,1913,
&end
#
# 0 AMB 20-2:2449 126 ILE HG1- 5.50 (# 2449:20 Single Ambig)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1864,1865,1822,1892,
igr2=1912,1913,
&end
#
# 126 ILE HA 126 ILE HG1+ 5.50 (# 2450:20 Unique 3.25, 3.58 A)
&rst
ixpk= 2450, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 126 ILE HA 126 ILE HG1- 5.50 (# 2451:20 Unique 3.25, 3.58 A)
&rst
ixpk= 2451, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 124 ILE HA 126 ILE HG1- 5.50 (# 2452:20 Unique 5.65, 6.36 A)
&rst
ixpk= 2452, nxpk= 20, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1912,1913,
&end
#
# 0 AMB 20-2:2454 127 TYR HA 5.50 (# 2454:20 Single Ambig)
&rst
ixpk= 2454, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1921,1964,
&end
#
# 127 TYR HB+ 127 TYR HA 5.50 (# 2455:20 Unique 2.53, 2.80 A)
&rst
ixpk= 2455, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 127 TYR HB- 127 TYR HA 5.50 (# 2456:20 Unique 2.53, 2.80 A)
&rst
ixpk= 2456, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 16 MET HE1 127 TYR HA 5.50 (# 2457:20 Unique 3.08, 4.34 A)
&rst
ixpk= 2457, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 238, 239, 240,
&end
#
# 119 PRO HB+ 127 TYR HA 5.50 (# 2458:20 Unique 2.38, 2.70 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1819,1820,
&end
#
# 130 THR MG2 127 TYR HA 5.50 (# 2459:20 Unique 2.24, 4.28 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1987,1988,1989,
&end
#
# 127 TYR HN 127 TYR HB+ 5.50 (# 2460:20 Unique 2.27, 2.97 A)
&rst
ixpk= 2460, nxpk= 20, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1926,
&end
#
# 127 TYR HN 127 TYR HB- 5.50 (# 2461:20 Unique 2.27, 2.97 A)
&rst
ixpk= 2461, nxpk= 20, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1926,
&end
#
# 0 AMB 20-2:2462 0 AMB 20-1:2462 5.50 (# 2462:20 Double Ambig)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1873,1923,
igr2=1925,1926,1925,1926,
&end
#
# 0 AMB 20-2:2463 127 TYR HB- 5.50 (# 2463:20 Single Ambig)
&rst
ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1873,1923,
igr2=1925,1926,
&end
#
# 124 ILE QD1 127 TYR HB- 5.50 (# 2466:20 Unique 2.42, 3.98 A)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1884,1885,1886,
igr2=1925,1926,
&end
#
# 124 ILE QD1 127 TYR HB+ 5.50 (# 2467:20 Unique 2.42, 3.98 A)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1884,1885,1886,
igr2=1925,1926,
&end
#
# 0 AMB 20-2:2468 126 ILE QG2 5.50 (# 2468:20 Single Ambig)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1981,1800,
igr2=1908,1909,1910,
&end
#
# 0 AMB 20-2:2469 126 ILE QG2 5.50 (# 2469:20 Single Ambig)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1929, 191,
igr2=1908,1909,1910,
&end
#
# 127 TYR QD 126 ILE QG2 5.50 (# 2470:20 Unique 4.89, 6.36 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1929,1938,
igr2=1908,1909,1910,
&end
#
# 127 TYR HB- 126 ILE QG2 5.50 (# 2473:20 Unique 5.64, 6.88 A)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1925,1926,
igr2=1908,1909,1910,
&end
#
# 126 ILE HG1+ 126 ILE QD1 3.50 (# 2474:20 Unique 2.42, 2.66 A)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1912,1913,
igr2=1915,1916,1917,
&end
#
# 129 GLN HG- 126 ILE QD1 5.50 (# 2475:20 Unique 3.80, 5.85 A)
&rst
ixpk= 2475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1971,1972,
igr2=1915,1916,1917,
&end
#
# 125 ASP HB- 126 ILE QD1 5.50 (# 2476:20 Unique 3.24, 5.23 A)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1894,1895,
igr2=1915,1916,1917,
&end
#
# 129 GLN HG+ 126 ILE QD1 5.50 (# 2477:20 Unique 3.80, 5.85 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1971,1972,
igr2=1915,1916,1917,
&end
#
# 125 ASP HB+ 126 ILE QD1 5.50 (# 2478:20 Unique 3.24, 5.23 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1894,1895,
igr2=1915,1916,1917,
&end
#
# 129 GLN HE2- 126 ILE QD1 5.50 (# 2481:20 Unique 2.65, 4.43 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1976,1977,
igr2=1915,1916,1917,
&end
#
# 129 GLN HE2+ 126 ILE QD1 7.00 (# 2482:20 Unique 2.65, 4.43 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1976,1977,
igr2=1915,1916,1917,
&end
#
# 0 AMB 20-2:2483 126 ILE QD1 5.50 (# 2483:20 Single Ambig)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1890,1921,1964,
igr2=1915,1916,1917,
&end
#
# 123 SER HN 126 ILE QD1 5.50 (# 2484:20 Unique 3.82, 4.47 A)
&rst
ixpk= 2484, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1915,1916,1917,
&end
#
# 124 ILE HN 124 ILE HA 5.50 (# 2485:20 Unique 2.79, 2.80 A)
&rst
ixpk= 2485, nxpk= 20, iat=1871,1873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 THR MG2 128 LYS HA 7.00 (# 2486:20 Unique 4.92, 6.65 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1987,1988,1989,
&end
#
# 131 ARG HB- 128 LYS HA 4.50 (# 2487:20 Unique 2.92, 3.89 A)
&rst
ixpk= 2487, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1999,2000,
&end
#
# 127 TYR HB- 124 ILE HA 5.50 (# 2488:20 Unique 2.27, 3.40 A)
&rst
ixpk= 2488, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 0 AMB 20-2:2489 128 LYS HA 5.50 (# 2489:20 Single Ambig)
&rst
ixpk= 2489, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1999,2000,1925,1926,
&end
#
# 81 LEU MD1 105 LEU HA 5.50 (# 2490:20 Unique 3.98, 4.82 A)
&rst
ixpk= 2490, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1207,1208,1209,
&end
#
# 144 GLN HE2- 144 GLN HG- 5.50 (# 2491:20 Unique 2.25, 3.40 A)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2232,2233,
&end
#
# 129 GLN HE2- 129 GLN HG- 5.50 (# 2492:20 Unique 2.26, 3.31 A)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1976,1977,
igr2=1971,1972,
&end
#
# 129 GLN HE2- 129 GLN HG+ 5.50 (# 2493:20 Unique 2.26, 3.31 A)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1976,1977,
igr2=1971,1972,
&end
#
# 140 GLN HE2- 140 GLN HG+ 5.50 (# 2494:20 Unique 2.33, 3.46 A)
&rst
ixpk= 2494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2169,2170,
igr2=2164,2165,
&end
#
# 0 AMB 20-2:2495 0 AMB 20-1:2495 5.50 (# 2495:20 Double Ambig)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1703,1704,1705,1691,1692,1693,
igr2=2164,2165,2164,2165,
&end
#
# 0 AMB 20-2:2496 129 GLN HG- 4.50 (# 2496:20 Single Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1915,1916,1917,1790,1791,1792,
igr2=1971,1972,
&end
#
# 141 LEU HN 140 GLN HG+ 5.50 (# 2497:20 Unique 4.51, 4.84 A)
&rst
ixpk= 2497, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2164,2165,
&end
#
# 0 AMB 20-2:2498 0 AMB 20-1:2498 4.50 (# 2498:20 Double Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1645,1348,
igr2=1649,1650,1335,1336,
&end
#
# 130 THR HB 130 THR HA 5.50 (# 2499:20 Unique 2.57, 2.96 A)
&rst
ixpk= 2499, nxpk= 20, iat=1985,1983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 THR HA 130 THR HB 5.50 (# 2500:20 Unique 2.57, 2.96 A)
&rst
ixpk= 2500, nxpk= 20, iat=1983,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2504 0 AMB 20-1:2504 5.50 (# 2504:20 Double Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1997,1944,
igr2=1999,2000,1999,2000,
&end
#
# 0 AMB 20-2:2505 131 ARG HB- 4.50 (# 2505:20 Single Ambig)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1997,1944,
igr2=1999,2000,
&end
#
# 0 AMB 20-2:2508 0 AMB 20-1:2508 5.50 (# 2508:20 Double Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1995,2019,
igr2=1999,2000,1999,2000,
&end
#
# 106 LYS HE+ 106 LYS HG+ 5.50 (# 2509:20 Unique 2.37, 3.16 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1636,1637,
igr2=1630,1631,
&end
#
# 106 LYS HE- 106 LYS HG+ 5.50 (# 2510:20 Unique 2.37, 3.16 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1636,1637,
igr2=1630,1631,
&end
#
# 0 AMB 20-2:2511 0 AMB 20-1:2511 3.00 (# 2511:20 Double Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1506,1507, 405, 406,
igr2=1500,1501, 399, 400,
&end
#
# 0 AMB 20-2:2513 0 AMB 20-1:2513 3.50 (# 2513:20 Double Ambig)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1506,1507,2143,2144, 405, 406,
igr2=1500,1501,2137,2138, 361, 362,
&end
#
# 25 ALA HA 30 LEU HG 5.50 (# 2514:20 Unique 4.38, 4.70 A)
&rst
ixpk= 2514, nxpk= 20, iat= 372, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HA 30 LEU HG 5.50 (# 2515:20 Unique 2.23, 2.39 A)
&rst
ixpk= 2515, nxpk= 20, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG HA 35 ARG HG- 5.50 (# 2516:20 Unique 2.28, 3.44 A)
&rst
ixpk= 2516, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:2520 20 LEU HG 4.50 (# 2520:20 Single Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2067,1997,
&end
#
# 36 SER HB- 36 SER HA 5.50 (# 2521:20 Unique 2.31, 2.67 A)
&rst
ixpk= 2521, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 548, 549,
&end
#
# 36 SER HB+ 36 SER HA 5.50 (# 2522:20 Unique 2.31, 2.67 A)
&rst
ixpk= 2522, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 548, 549,
&end
#
# 5 PHE HB+ 36 SER HA 5.50 (# 2523:20 Unique 2.76, 3.61 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 0 AMB 20-2:2524 36 SER HA 5.50 (# 2524:20 Single Ambig)
&rst
ixpk= 2524, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 524, 525, 143, 144,
&end
#
# 0 AMB 20-2:2525 36 SER HA 5.50 (# 2525:20 Single Ambig)
&rst
ixpk= 2525, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 56, 514, 515, 516, 37,
&end
#
# 37 ALA MB 36 SER HA 5.50 (# 2526:20 Unique 4.31, 4.88 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 559, 560, 561,
&end
#
# 6 VAL MG1 36 SER HA 5.50 (# 2527:20 Unique 5.31, 6.76 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 97, 98, 99,
&end
#
# 5 PHE HN 36 SER HA 4.50 (# 2528:20 Unique 2.35, 2.70 A)
&rst
ixpk= 2528, nxpk= 20, iat= 71, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2529 128 LYS HA 5.50 (# 2529:20 Single Ambig)
&rst
ixpk= 2529, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1964,1921,
&end
#
# 134 LEU HN 134 LEU HA 5.50 (# 2530:20 Unique 2.81, 2.81 A)
&rst
ixpk= 2530, nxpk= 20, iat=2046,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU HN 132 ASP HA 5.50 (# 2531:20 Unique 3.55, 3.57 A)
&rst
ixpk= 2531, nxpk= 20, iat=2031,2021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 LEU HN 134 LEU HA 7.00 (# 2532:20 Unique 3.85, 3.89 A)
&rst
ixpk= 2532, nxpk= 20, iat=2114,2048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 PHE HN 20 LEU HA 5.50 (# 2533:20 Unique 3.58, 3.59 A)
&rst
ixpk= 2533, nxpk= 20, iat= 298, 281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 LYS HN 125 ASP HA 5.50 (# 2534:20 Unique 3.22, 3.31 A)
&rst
ixpk= 2534, nxpk= 20, iat=1942,1892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 ALA HN 141 LEU HA 5.50 (# 2535:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2535, nxpk= 20, iat=2193,2176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2536 0 AMB 20-1:2536 5.50 (# 2536:20 Double Ambig)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225, 572,
igr2=2176, 109,
&end
#
# 138 LEU HN 135 GLU HA 5.50 (# 2537:20 Unique 3.29, 3.45 A)
&rst
ixpk= 2537, nxpk= 20, iat=2114,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 GLU HN 135 GLU HA 5.50 (# 2538:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2538, nxpk= 20, iat=2080,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 HIS HN 56 PHE HA 5.50 (# 2539:20 Unique 3.16, 3.20 A)
&rst
ixpk= 2539, nxpk= 20, iat= 868, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ILE HN 21 PHE HA 5.50 (# 2540:20 Unique 3.07, 3.11 A)
&rst
ixpk= 2540, nxpk= 20, iat= 351, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2541 0 AMB 20-1:2541 5.50 (# 2541:20 Double Ambig)
&rst
ixpk= 2541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1141,1271,
igr2=1132,1277,
&end
#
# 76 SER HN 75 GLU HA 5.50 (# 2542:20 Unique 3.51, 3.55 A)
&rst
ixpk= 2542, nxpk= 20, iat=1130,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 18 GLU HA 5.50 (# 2543:20 Unique 2.81, 2.83 A)
&rst
ixpk= 2543, nxpk= 20, iat= 254, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2544 0 AMB 20-1:2544 5.50 (# 2544:20 Double Ambig)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 269,1532,
igr2= 256,1498,
&end
#
# 87 HIS HD2 87 HIS HA 5.50 (# 2545:20 Unique 2.38, 3.46 A)
&rst
ixpk= 2545, nxpk= 20, iat=1305,1294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 GLU HN 0 AMB 20-1:2546 4.50 (# 2546:20 Single Ambig)
&rst
ixpk= 2546, nxpk= 20, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2082,2033,
&end
#
# 95 PHE QD 71 GLU HA 5.50 (# 2547:20 Unique 3.73, 4.47 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1432,1440,
&end
#
# 0 AMB 20-2:2548 71 GLU HA 5.50 (# 2548:20 Single Ambig)
&rst
ixpk= 2548, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1098,1079,
&end
#
# 140 GLN HN 139 ARG HA 5.50 (# 2549:20 Unique 3.57, 3.58 A)
&rst
ixpk= 2549, nxpk= 20, iat=2157,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2550 0 AMB 20-1:2550 5.50 (# 2550:20 Double Ambig)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 964, 724,
igr2= 966, 698,
&end
#
# 4 ILE HN 80 VAL HA 5.50 (# 2551:20 Unique 2.33, 2.46 A)
&rst
ixpk= 2551, nxpk= 20, iat= 52,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 SER HN 22 LYS HA 5.50 (# 2552:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2552, nxpk= 20, iat= 340, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS HN 57 GLU HA 5.50 (# 2554:20 Unique 3.60, 3.63 A)
&rst
ixpk= 2554, nxpk= 20, iat= 846, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 GLY HN 107 GLU HA 5.50 (# 2555:20 Unique 2.74, 2.99 A)
&rst
ixpk= 2555, nxpk= 20, iat=1711,1647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HN 86 GLN HA 5.50 (# 2556:20 Unique 3.23, 3.32 A)
&rst
ixpk= 2556, nxpk= 20, iat=1331,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 MET HN 16 MET HA 5.50 (# 2557:20 Unique 2.87, 2.88 A)
&rst
ixpk= 2557, nxpk= 20, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LYS HN 88 LYS HA 5.50 (# 2558:20 Unique 2.83, 2.84 A)
&rst
ixpk= 2558, nxpk= 20, iat=1309,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLU HN 72 GLU HA 5.50 (# 2559:20 Unique 3.25, 3.34 A)
&rst
ixpk= 2559, nxpk= 20, iat=1115,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2560 72 GLU HA 5.50 (# 2560:20 Single Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1079,1098,
&end
#
# 48 THR HN 48 THR HA 5.50 (# 2561:20 Unique 2.82, 2.86 A)
&rst
ixpk= 2561, nxpk= 20, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 LYS HN 142 ALA HA 5.50 (# 2562:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2562, nxpk= 20, iat=2203,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HN 99 ARG HA 5.50 (# 2563:20 Unique 3.35, 3.45 A)
&rst
ixpk= 2563, nxpk= 20, iat=1520,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ARG HN 131 ARG HA 5.50 (# 2564:20 Unique 2.81, 2.83 A)
&rst
ixpk= 2564, nxpk= 20, iat=1995,1997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ALA HN 40 PHE HA 4.50 (# 2565:20 Unique 2.26, 2.89 A)
&rst
ixpk= 2565, nxpk= 20, iat= 608, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 PHE HN 40 PHE HA 5.50 (# 2566:20 Unique 2.94, 2.97 A)
&rst
ixpk= 2566, nxpk= 20, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LYS HN 101 LYS HA 5.50 (# 2567:20 Unique 2.89, 2.93 A)
&rst
ixpk= 2567, nxpk= 20, iat=1532,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2568 25 ALA HA 5.50 (# 2568:20 Single Ambig)
&rst
ixpk= 2568, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 380, 395,
&end
#
# 55 LEU HN 54 ALA HA 5.50 (# 2569:20 Unique 3.54, 3.56 A)
&rst
ixpk= 2569, nxpk= 20, iat= 792, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 MET HN 74 MET HA 4.50 (# 2570:20 Unique 2.81, 2.82 A)
&rst
ixpk= 2570, nxpk= 20, iat=1098,1100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ALA HN 74 MET HA 5.50 (# 2571:20 Unique 3.42, 3.50 A)
&rst
ixpk= 2571, nxpk= 20, iat=1141,1100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HN 19 ALA HA 5.50 (# 2572:20 Unique 3.42, 3.52 A)
&rst
ixpk= 2572, nxpk= 20, iat= 318, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 HIS HN 58 LYS HA 5.50 (# 2573:20 Unique 3.33, 3.37 A)
&rst
ixpk= 2573, nxpk= 20, iat= 868, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLY HN 44 ASN HA 5.50 (# 2574:20 Unique 2.54, 3.07 A)
&rst
ixpk= 2574, nxpk= 20, iat= 657, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HN 17 ALA HA 5.50 (# 2575:20 Unique 2.83, 2.84 A)
&rst
ixpk= 2575, nxpk= 20, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HN 62 LEU HA 5.50 (# 2576:20 Unique 2.56, 2.73 A)
&rst
ixpk= 2576, nxpk= 20, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLU HN 28 GLU HA 4.50 (# 2577:20 Unique 2.88, 2.90 A)
&rst
ixpk= 2577, nxpk= 20, iat= 419, 421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ASP HN 1 MET HA 3.50 (# 2578:20 Unique 2.22, 2.24 A)
&rst
ixpk= 2578, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 MET HA 1 MET HB+ 5.50 (# 2579:20 Unique 2.38, 2.76 A)
&rst
ixpk= 2579, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 77 ALA MB 2 ASP HB+ 4.50 (# 2580:20 Unique 3.13, 4.75 A)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1145,1146,1147,
igr2= 25, 26,
&end
#
# 3 ILE QD1 3 ILE HG1+ 3.00 (# 2581:20 Unique 2.32, 2.65 A)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 46, 47, 48,
igr2= 43, 44,
&end
#
# 0 AMB 20-2:2582 3 ILE HG1- 5.50 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1207,1208,1209,1172,1173,1174,
igr2= 43, 44,
&end
#
# 81 LEU HN 5 PHE HA 5.50 (# 2583:20 Unique 3.09, 3.12 A)
&rst
ixpk= 2583, nxpk= 20, iat=1198, 73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2584 5 PHE HA 5.50 (# 2584:20 Single Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1238,1239,1240,1234,1235,
&end
#
# 6 VAL MG1 5 PHE HA 5.50 (# 2585:20 Unique 3.17, 4.43 A)
&rst
ixpk= 2585, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 97, 98, 99,
&end
#
# 0 AMB 20-2:2586 5 PHE HA 5.50 (# 2586:20 Single Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60, 248, 249, 250,
&end
#
# 6 VAL HB 5 PHE HA 5.50 (# 2587:20 Unique 4.50, 4.57 A)
&rst
ixpk= 2587, nxpk= 20, iat= 95, 73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2588 5 PHE HA 7.00 (# 2588:20 Single Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1613,1614,1615, 559, 560, 561,1170,
&end
#
# 81 LEU HB+ 5 PHE HA 5.50 (# 2589:20 Unique 2.83, 3.24 A)
&rst
ixpk= 2589, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1202,1203,
&end
#
# 81 LEU HB- 5 PHE HA 5.50 (# 2590:20 Unique 2.83, 3.24 A)
&rst
ixpk= 2590, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1202,1203,
&end
#
# 6 VAL MG2 5 PHE HA 5.50 (# 2591:20 Unique 6.08, 6.52 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 101, 102, 103,
&end
#
# 83 MET HE 5 PHE HB+ 5.50 (# 2592:20 Unique 2.15, 4.01 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1238,1239,1240,
igr2= 75, 76,
&end
#
# 17 ALA MB 5 PHE HB+ 5.50 (# 2593:20 Unique 2.72, 4.14 A)
&rst
ixpk= 2593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 248, 249, 250,
igr2= 75, 76,
&end
#
# 37 ALA HN 6 VAL HA 5.50 (# 2594:20 Unique 2.58, 2.95 A)
&rst
ixpk= 2594, nxpk= 20, iat= 555, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 VAL HN 6 VAL HA 5.50 (# 2595:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2595, nxpk= 20, iat= 91, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 VAL HB 6 VAL HA 5.50 (# 2596:20 Unique 2.22, 2.31 A)
&rst
ixpk= 2596, nxpk= 20, iat= 95, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 VAL HA 6 VAL HB 5.50 (# 2597:20 Unique 2.22, 2.31 A)
&rst
ixpk= 2597, nxpk= 20, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HB+ 14 SER HA 5.50 (# 2598:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 206, 207,
&end
#
# 14 SER HA 14 SER HB+ 4.50 (# 2599:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2599, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 206, 207,
&end
#
# 19 ALA MB 16 MET HA 4.50 (# 2600:20 Unique 2.82, 3.79 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 273, 274, 275,
&end
#
# 16 MET HB+ 16 MET HA 5.50 (# 2601:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2601, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 231, 232,
&end
#
# 0 AMB 20-2:2602 16 MET HA 5.50 (# 2602:20 Single Ambig)
&rst
ixpk= 2602, nxpk= 20, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 745, 746, 747, 856, 857,
&end
#
# 13 ARG HA 16 MET HA 5.50 (# 2603:20 Unique 5.29, 5.52 A)
&rst
ixpk= 2603, nxpk= 20, iat= 180, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ALA HA 16 MET HB+ 7.00 (# 2605:20 Unique 7.43, 7.84 A)
&rst
ixpk= 2605, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 231, 232,
&end
#
# 0 AMB 20-2:2606 0 AMB 20-1:2606 5.50 (# 2606:20 Double Ambig)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 180,2005,2006,
igr2= 231, 232, 231, 232,
&end
#
# 100 ASP HA 99 ARG HA 5.50 (# 2608:20 Unique 4.89, 4.92 A)
&rst
ixpk= 2608, nxpk= 20, iat=1522,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2609 99 ARG HA 5.50 (# 2609:20 Single Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1506,1507,1428,1429,
&end
#
# 0 AMB 20-2:2610 18 GLU HA 5.50 (# 2610:20 Single Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 302, 303, 331, 332,
&end
#
# 17 ALA MB 18 GLU HA 5.50 (# 2611:20 Unique 4.32, 4.95 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 248, 249, 250,
&end
#
# 0 AMB 20-2:2612 99 ARG HA 5.50 (# 2612:20 Single Ambig)
&rst
ixpk= 2612, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1503,1504,1109,1110,1111,
&end
#
# 0 AMB 20-2:2614 20 LEU HB- 5.50 (# 2614:20 Single Ambig)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1999,2000, 796, 797, 185, 186,
igr2= 283, 284,
&end
#
# 0 AMB 20-2:2615 0 AMB 20-1:2615 5.50 (# 2615:20 Double Ambig)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1999,2000, 185, 186,
igr2= 283, 284, 283, 284,
&end
#
# 20 LEU HA 20 LEU HB- 5.50 (# 2616:20 Unique 2.48, 2.85 A)
&rst
ixpk= 2616, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 20 LEU HA 20 LEU HB+ 5.50 (# 2617:20 Unique 2.48, 2.85 A)
&rst
ixpk= 2617, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 20 LEU HN 20 LEU HB+ 5.50 (# 2618:20 Unique 2.14, 2.67 A)
&rst
ixpk= 2618, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 20 LEU HN 20 LEU HB- 5.50 (# 2619:20 Unique 2.14, 2.67 A)
&rst
ixpk= 2619, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 21 PHE HN 20 LEU HB- 5.50 (# 2620:20 Unique 2.74, 3.22 A)
&rst
ixpk= 2620, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 21 PHE HN 20 LEU HB+ 5.50 (# 2621:20 Unique 2.74, 3.22 A)
&rst
ixpk= 2621, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 0 AMB 20-2:2622 0 AMB 20-1:2622 5.50 (# 2622:20 Double Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1830,1831, 302, 303,
igr2=1828, 300,
&end
#
# 0 AMB 20-2:2623 0 AMB 20-1:2623 5.50 (# 2623:20 Double Ambig)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1830,1831, 302, 303,
igr2=1828, 300,
&end
#
# 21 PHE HN 21 PHE HA 5.50 (# 2624:20 Unique 2.86, 2.86 A)
&rst
ixpk= 2624, nxpk= 20, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HN 21 PHE HB- 5.50 (# 2625:20 Unique 2.49, 2.67 A)
&rst
ixpk= 2625, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 302, 303,
&end
#
# 0 AMB 20-2:2626 0 AMB 20-1:2626 5.50 (# 2626:20 Double Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 318,1846,
igr2= 302, 303,1830,1831,
&end
#
# 0 AMB 20-2:2627 0 AMB 20-1:2627 5.50 (# 2627:20 Double Ambig)
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 318,1846,
igr2= 302, 303,1830,1831,
&end
#
# 21 PHE QD 21 PHE HB+ 5.50 (# 2628:20 Unique 2.48, 3.11 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 306, 314,
igr2= 302, 303,
&end
#
# 21 PHE QD 21 PHE HB- 5.50 (# 2629:20 Unique 2.48, 3.11 A)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 306, 314,
igr2= 302, 303,
&end
#
# 85 HIS HB- 85 HIS HA 5.50 (# 2630:20 Unique 2.39, 2.72 A)
&rst
ixpk= 2630, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1262,1263,
&end
#
# 85 HIS HB+ 85 HIS HA 5.50 (# 2631:20 Unique 2.39, 2.72 A)
&rst
ixpk= 2631, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1262,1263,
&end
#
# 26 GLU HN 22 LYS HA 5.50 (# 2632:20 Unique 3.92, 4.01 A)
&rst
ixpk= 2632, nxpk= 20, iat= 380, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HD2 22 LYS HA 5.50 (# 2633:20 Unique 3.68, 3.83 A)
&rst
ixpk= 2633, nxpk= 20, iat= 314, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HN 22 LYS HA 5.50 (# 2634:20 Unique 3.33, 3.43 A)
&rst
ixpk= 2634, nxpk= 20, iat= 370, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 HIS HN 85 HIS HA 5.50 (# 2635:20 Unique 2.82, 2.84 A)
&rst
ixpk= 2635, nxpk= 20, iat=1258,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HN 24 ILE HA 5.50 (# 2636:20 Unique 3.55, 3.57 A)
&rst
ixpk= 2636, nxpk= 20, iat= 370, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2637 0 AMB 20-1:2637 5.50 (# 2637:20 Double Ambig)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 355,1633,1634,
igr2= 353,1722,1723,
&end
#
# 24 ILE HG1+ 24 ILE HB 5.50 (# 2638:20 Unique 2.49, 2.80 A)
&rst
ixpk= 2638, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 361, 362,
&end
#
# 24 ILE HG1- 24 ILE HB 5.50 (# 2639:20 Unique 2.49, 2.80 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 361, 362,
&end
#
# 24 ILE HA 24 ILE HB 5.50 (# 2640:20 Unique 3.02, 3.03 A)
&rst
ixpk= 2640, nxpk= 20, iat= 353, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HA 24 ILE HB 5.50 (# 2641:20 Unique 2.30, 2.43 A)
&rst
ixpk= 2641, nxpk= 20, iat= 300, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2642 24 ILE HB 5.50 (# 2642:20 Single Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 344, 345,2195,
&end
#
# 24 ILE HN 24 ILE HG1+ 5.50 (# 2643:20 Unique 2.45, 3.12 A)
&rst
ixpk= 2643, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:2644 0 AMB 20-1:2644 5.50 (# 2644:20 Double Ambig)
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 355,2140,2141,
igr2= 361, 362, 361, 362,
&end
#
# 0 AMB 20-2:2645 0 AMB 20-1:2645 3.50 (# 2645:20 Double Ambig)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 364, 365, 366, 357, 358, 359,
igr2= 361, 362, 361, 362,
&end
#
# 0 AMB 20-2:2646 24 ILE QG2 5.50 (# 2646:20 Single Ambig)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 405, 406,2143,2144,
igr2= 357, 358, 359,
&end
#
# 139 ARG HD+ 24 ILE QD1 5.50 (# 2647:20 Unique 3.18, 5.67 A)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2143,2144,
igr2= 364, 365, 366,
&end
#
# 21 PHE HB- 24 ILE QD1 5.50 (# 2648:20 Unique 4.57, 6.53 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 303,
igr2= 364, 365, 366,
&end
#
# 28 GLU HB+ 25 ALA HA 5.50 (# 2649:20 Unique 2.60, 3.41 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 424,
&end
#
# 0 AMB 20-2:2650 25 ALA HA 5.50 (# 2650:20 Single Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 426, 427, 387, 388,
&end
#
# 28 GLU HB- 25 ALA HA 5.50 (# 2651:20 Unique 2.60, 3.41 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 424,
&end
#
# 24 ILE HB 25 ALA HA 5.50 (# 2652:20 Unique 4.61, 4.67 A)
&rst
ixpk= 2652, nxpk= 20, iat= 355, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY HN 28 GLU HB- 5.50 (# 2653:20 Unique 3.04, 3.57 A)
&rst
ixpk= 2653, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 423, 424,
&end
#
# 0 AMB 20-2:2654 0 AMB 20-1:2654 5.50 (# 2654:20 Double Ambig)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 434, 792,
igr2= 423, 424, 771, 772,
&end
#
# 25 ALA HA 28 GLU HB+ 5.50 (# 2655:20 Unique 2.60, 3.41 A)
&rst
ixpk= 2655, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 423, 424,
&end
#
# 30 LEU HA 30 LEU HB- 5.50 (# 2657:20 Unique 2.75, 2.88 A)
&rst
ixpk= 2657, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 25 ALA HA 30 LEU HB+ 5.50 (# 2658:20 Unique 2.22, 2.85 A)
&rst
ixpk= 2658, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 25 ALA HA 30 LEU HB- 5.50 (# 2659:20 Unique 2.22, 2.85 A)
&rst
ixpk= 2659, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 32 VAL HN 31 ASN HB+ 5.50 (# 2660:20 Unique 4.30, 4.45 A)
&rst
ixpk= 2660, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 464, 465,
&end
#
# 32 VAL HN 31 ASN HB- 5.50 (# 2661:20 Unique 4.30, 4.45 A)
&rst
ixpk= 2661, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 464, 465,
&end
#
# 31 ASN HD2+ 31 ASN HB- 5.50 (# 2662:20 Unique 2.26, 3.30 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 469, 470,
igr2= 464, 465,
&end
#
# 31 ASN HD2+ 31 ASN HB+ 5.50 (# 2663:20 Unique 2.26, 3.30 A)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 469, 470,
igr2= 464, 465,
&end
#
# 31 ASN HD2- 31 ASN HB+ 5.50 (# 2664:20 Unique 2.26, 3.30 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 469, 470,
igr2= 464, 465,
&end
#
# 32 VAL MG2 31 ASN HB- 5.50 (# 2665:20 Unique 6.01, 7.14 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 484, 485, 486,
igr2= 464, 465,
&end
#
# 32 VAL MG2 31 ASN HB+ 5.50 (# 2666:20 Unique 6.01, 7.14 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 484, 485, 486,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:2667 31 ASN HB- 7.00 (# 2667:20 Single Ambig)
&rst
ixpk= 2667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 445, 446, 448,
igr2= 464, 465,
&end
#
# 32 VAL HN 32 VAL HB 5.50 (# 2668:20 Unique 3.87, 3.91 A)
&rst
ixpk= 2668, nxpk= 20, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE QE 32 VAL HB 5.50 (# 2669:20 Unique 3.76, 5.90 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 308, 312,
&end
#
# 1 MET HG+ 32 VAL HB 5.50 (# 2670:20 Unique 3.15, 3.93 A)
&rst
ixpk= 2670, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 33 ASN HB+ 32 VAL HB 5.50 (# 2671:20 Unique 4.90, 5.15 A)
&rst
ixpk= 2671, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 494, 495,
&end
#
# 25 ALA HA 32 VAL MG2 5.50 (# 2672:20 Unique 4.44, 5.34 A)
&rst
ixpk= 2672, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:2673 32 VAL MG2 5.50 (# 2673:20 Single Ambig)
&rst
ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 382,2195,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:2674 102 VAL MG2 5.50 (# 2674:20 Single Ambig)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1184,1522,
igr2=1564,1565,1566,
&end
#
# 33 ASN HA 32 VAL MG2 5.50 (# 2675:20 Unique 3.15, 4.44 A)
&rst
ixpk= 2675, nxpk= 20, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 484, 485, 486,
&end
#
# 2 ASP HA 32 VAL MG2 5.50 (# 2676:20 Unique 5.71, 6.41 A)
&rst
ixpk= 2676, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:2677 32 VAL MG2 5.50 (# 2677:20 Single Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 441, 351,
igr2= 484, 485, 486,
&end
#
# 25 ALA HN 32 VAL MG2 7.00 (# 2678:20 Unique 5.18, 5.66 A)
&rst
ixpk= 2678, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 484, 485, 486,
&end
#
# 30 LEU HA 32 VAL MG1 5.50 (# 2679:20 Unique 4.72, 5.92 A)
&rst
ixpk= 2679, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 480, 481, 482,
&end
#
# 87 HIS HB+ 39 VAL MG1 5.50 (# 2680:20 Unique 3.90, 6.40 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1296,1297,
igr2= 578, 579, 580,
&end
#
# 0 AMB 20-2:2681 33 ASN HA 5.50 (# 2681:20 Single Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 261, 262,
&end
#
# 108 TYR HD2 108 TYR HB+ 7.00 (# 2682:20 Unique 2.35, 2.97 A)
&rst
ixpk= 2682, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1664,1665,
&end
#
# 35 ARG HN 34 VAL HB 5.50 (# 2683:20 Unique 2.46, 2.71 A)
&rst
ixpk= 2683, nxpk= 20, iat= 520, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA MB 34 VAL MG2 5.50 (# 2685:20 Unique 6.49, 7.98 A)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 248, 249, 250,
igr2= 514, 515, 516,
&end
#
# 5 PHE HB+ 34 VAL MG2 5.50 (# 2687:20 Unique 5.56, 7.46 A)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 75, 76,
igr2= 514, 515, 516,
&end
#
# 21 PHE HB+ 34 VAL MG2 5.50 (# 2688:20 Unique 2.49, 4.66 A)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 303,
igr2= 514, 515, 516,
&end
#
# 19 ALA HN 34 VAL MG2 5.50 (# 2689:20 Unique 5.35, 6.05 A)
&rst
ixpk= 2689, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 18 GLU HN 34 VAL MG2 5.50 (# 2690:20 Unique 5.12, 5.95 A)
&rst
ixpk= 2690, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 21 PHE HN 34 VAL MG2 5.50 (# 2691:20 Unique 4.49, 5.59 A)
&rst
ixpk= 2691, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 21 PHE HN 34 VAL MG1 5.50 (# 2692:20 Unique 5.45, 6.68 A)
&rst
ixpk= 2692, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 510, 511, 512,
&end
#
# 2 ASP HA 34 VAL MG1 5.50 (# 2693:20 Unique 4.31, 5.27 A)
&rst
ixpk= 2693, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 510, 511, 512,
&end
#
# 21 PHE HB+ 34 VAL MG1 5.50 (# 2694:20 Unique 2.77, 4.68 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 303,
igr2= 510, 511, 512,
&end
#
# 33 ASN HB+ 34 VAL MG1 5.50 (# 2695:20 Unique 5.42, 6.39 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 494, 495,
igr2= 510, 511, 512,
&end
#
# 34 VAL HB 34 VAL HA 5.50 (# 2696:20 Unique 2.33, 2.38 A)
&rst
ixpk= 2696, nxpk= 20, iat= 508, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2697 34 VAL HA 3.50 (# 2697:20 Single Ambig)
&rst
ixpk= 2697, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 37, 514, 515, 516,
&end
#
# 35 ARG HG+ 34 VAL HA 5.50 (# 2698:20 Unique 3.14, 4.77 A)
&rst
ixpk= 2698, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 527, 528,
&end
#
# 3 ILE QG2 34 VAL HA 5.50 (# 2699:20 Unique 4.64, 5.32 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41,
&end
#
# 35 ARG HN 35 ARG HB- 5.50 (# 2700:20 Unique 2.61, 3.34 A)
&rst
ixpk= 2700, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 35 ARG HN 35 ARG HB+ 5.50 (# 2701:20 Unique 2.61, 3.34 A)
&rst
ixpk= 2701, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 35 ARG HD+ 35 ARG HB- 5.50 (# 2703:20 Unique 2.26, 3.29 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531,
igr2= 524, 525,
&end
#
# 0 AMB 20-2:2704 0 AMB 20-1:2704 5.50 (# 2704:20 Double Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 677, 678, 530, 531,
igr2= 668, 669, 524, 525,
&end
#
# 35 ARG HD+ 35 ARG HB+ 5.50 (# 2705:20 Unique 2.26, 3.29 A)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531,
igr2= 524, 525,
&end
#
# 35 ARG HD- 35 ARG HB+ 5.50 (# 2706:20 Unique 2.26, 3.29 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531,
igr2= 524, 525,
&end
#
# 4 ILE QG2 35 ARG HB- 5.50 (# 2707:20 Unique 2.58, 4.66 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60,
igr2= 524, 525,
&end
#
# 73 LEU MD1 35 ARG HB- 5.50 (# 2708:20 Unique 2.80, 4.55 A)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1088,1089,1090,
igr2= 524, 525,
&end
#
# 4 ILE QG2 35 ARG HB+ 5.50 (# 2709:20 Unique 2.58, 4.66 A)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60,
igr2= 524, 525,
&end
#
# 36 SER HN 35 ARG HG+ 4.50 (# 2710:20 Unique 3.57, 4.42 A)
&rst
ixpk= 2710, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 527, 528,
&end
#
# 36 SER HN 35 ARG HG- 5.50 (# 2711:20 Unique 3.57, 4.42 A)
&rst
ixpk= 2711, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 527, 528,
&end
#
# 35 ARG HN 35 ARG HG- 5.50 (# 2712:20 Unique 2.34, 3.75 A)
&rst
ixpk= 2712, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 527, 528,
&end
#
# 35 ARG HN 35 ARG HG+ 5.50 (# 2713:20 Unique 2.34, 3.75 A)
&rst
ixpk= 2713, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:2714 0 AMB 20-1:2714 5.50 (# 2714:20 Double Ambig)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 58, 59, 60, 65, 66, 67,
igr2= 527, 528, 527, 528,
&end
#
# 0 AMB 20-2:2715 35 ARG HG- 5.50 (# 2715:20 Single Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 58, 59, 60, 65, 66, 67,
igr2= 527, 528,
&end
#
# 0 AMB 20-2:2716 35 ARG HD- 5.50 (# 2716:20 Single Ambig)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 65, 66, 67, 58, 59, 60,
igr2= 530, 531,
&end
#
# 35 ARG HB+ 35 ARG HA 3.50 (# 2718:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2718, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 524, 525,
&end
#
# 0 AMB 20-2:2719 35 ARG HA 4.50 (# 2719:20 Single Ambig)
&rst
ixpk= 2719, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528, 524, 525,
&end
#
# 0 AMB 20-2:2720 35 ARG HA 5.50 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531, 331, 332,
&end
#
# 0 AMB 20-2:2721 35 ARG HA 5.50 (# 2721:20 Single Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531, 331, 332,
&end
#
# 35 ARG HG- 35 ARG HA 5.50 (# 2722:20 Unique 2.28, 3.44 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 527, 528,
&end
#
# 0 AMB 20-2:2724 0 AMB 20-1:2724 5.50 (# 2724:20 Double Ambig)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 544, 555,
igr2= 548, 549, 548, 549,
&end
#
# 36 SER HA 36 SER HB+ 5.50 (# 2725:20 Unique 2.31, 2.67 A)
&rst
ixpk= 2725, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 548, 549,
&end
#
# 6 VAL HA 37 ALA MB 5.50 (# 2727:20 Unique 3.70, 5.10 A)
&rst
ixpk= 2727, nxpk= 20, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 559, 560, 561,
&end
#
# 36 SER HA 37 ALA MB 5.50 (# 2728:20 Unique 4.31, 4.88 A)
&rst
ixpk= 2728, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 559, 560, 561,
&end
#
# 0 AMB 20-2:2730 0 AMB 20-1:2730 3.00 (# 2730:20 Double Ambig)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 557,1699,
igr2= 559, 560, 561,1687,1688,1689,
&end
#
# 141 LEU HG 109 VAL MG1 5.50 (# 2731:20 Unique 4.30, 5.77 A)
&rst
ixpk= 2731, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1687,1688,1689,
&end
#
# 69 LEU HN 68 PRO HB- 5.50 (# 2740:20 Unique 2.86, 3.37 A)
&rst
ixpk= 2740, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1009,1010,
&end
#
# 39 VAL HN 39 VAL HB 5.50 (# 2741:20 Unique 2.60, 2.96 A)
&rst
ixpk= 2741, nxpk= 20, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 PHE HN 39 VAL HB 5.50 (# 2742:20 Unique 2.91, 3.20 A)
&rst
ixpk= 2742, nxpk= 20, iat= 588, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2745 0 AMB 20-1:2745 5.50 (# 2745:20 Double Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1419,1420, 79, 87,
igr2= 582, 583, 584, 97, 98, 99,
&end
#
# 87 HIS HD2 39 VAL MG2 7.00 (# 2746:20 Unique 2.25, 3.65 A)
&rst
ixpk= 2746, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 582, 583, 584,
&end
#
# 94 GLN HE2- 39 VAL MG2 5.50 (# 2747:20 Unique 4.45, 6.94 A)
&rst
ixpk= 2747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1419,1420,
igr2= 582, 583, 584,
&end
#
# 94 GLN HG+ 39 VAL MG2 5.50 (# 2749:20 Unique 4.56, 7.35 A)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1414,1415,
igr2= 582, 583, 584,
&end
#
# 91 ILE HG1+ 39 VAL MG1 4.50 (# 2751:20 Unique 2.28, 4.07 A)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1377,1378,
igr2= 578, 579, 580,
&end
#
# 40 PHE HB- 39 VAL MG1 5.50 (# 2752:20 Unique 4.92, 6.64 A)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 592, 593,
igr2= 578, 579, 580,
&end
#
# 40 PHE HB+ 39 VAL MG1 5.50 (# 2753:20 Unique 4.92, 6.64 A)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 592, 593,
igr2= 578, 579, 580,
&end
#
# 63 ASN HD2+ 63 ASN HB+ 5.50 (# 2757:20 Unique 2.30, 3.45 A)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 942, 943,
igr2= 937, 938,
&end
#
# 0 AMB 20-2:2758 0 AMB 20-1:2758 5.50 (# 2758:20 Double Ambig)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 942, 943, 132,
igr2= 937, 938, 592, 593,
&end
#
# 40 PHE HN 40 PHE HB+ 5.50 (# 2759:20 Unique 2.63, 3.25 A)
&rst
ixpk= 2759, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 40 PHE HN 40 PHE HB- 5.50 (# 2760:20 Unique 2.63, 3.25 A)
&rst
ixpk= 2760, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:2761 0 AMB 20-1:2761 3.50 (# 2761:20 Double Ambig)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 592, 593,1479,1480,
igr2= 590,1477,
&end
#
# 41 ALA MB 40 PHE HA 5.50 (# 2762:20 Unique 4.91, 5.63 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 612, 613, 614,
&end
#
# 66 SER HB- 41 ALA MB 4.50 (# 2763:20 Unique 2.18, 3.85 A)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 984, 985,
igr2= 612, 613, 614,
&end
#
# 68 PRO HD- 41 ALA MB 5.50 (# 2764:20 Unique 4.20, 5.55 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1003,1004,
igr2= 612, 613, 614,
&end
#
# 0 AMB 20-2:2768 0 AMB 20-1:2768 5.50 (# 2768:20 Double Ambig)
&rst
ixpk= 2768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 633, 634,1119,1120,1068,1069,1006,1007,
igr2= 622, 623,1134,1135, 622, 623,
&end
#
# 44 ASN HN 43 PRO HB+ 7.00 (# 2769:20 Unique 2.73, 3.84 A)
&rst
ixpk= 2769, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 636, 637,
&end
#
# 44 ASN HN 43 PRO HB- 5.50 (# 2770:20 Unique 2.73, 3.84 A)
&rst
ixpk= 2770, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 636, 637,
&end
#
# 125 ASP HA 128 LYS HB+ 4.50 (# 2771:20 Unique 2.13, 3.40 A)
&rst
ixpk= 2771, nxpk= 20, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1946,1947,
&end
#
# 44 ASN HN 43 PRO HA 5.50 (# 2772:20 Unique 2.32, 3.03 A)
&rst
ixpk= 2772, nxpk= 20, iat= 643, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLY HN 43 PRO HA 5.50 (# 2773:20 Unique 3.18, 3.93 A)
&rst
ixpk= 2773, nxpk= 20, iat= 657, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HA 43 PRO HA 5.50 (# 2774:20 Unique 2.17, 2.53 A)
&rst
ixpk= 2774, nxpk= 20, iat= 993, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HD- 43 PRO HA 5.50 (# 2776:20 Unique 3.67, 4.15 A)
&rst
ixpk= 2776, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1003,1004,
&end
#
# 0 AMB 20-2:2777 43 PRO HA 4.50 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 630, 631, 995, 996, 622, 623,
&end
#
# 0 AMB 20-2:2778 43 PRO HD- 3.00 (# 2778:20 Single Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 633, 634,1006,1007,
igr2= 630, 631,
&end
#
# 43 PRO HB+ 43 PRO HD+ 5.50 (# 2779:20 Unique 2.63, 3.61 A)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 636, 637,
igr2= 630, 631,
&end
#
# 43 PRO HB+ 43 PRO HD- 5.50 (# 2780:20 Unique 2.63, 3.61 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 636, 637,
igr2= 630, 631,
&end
#
# 44 ASN HB+ 44 ASN HA 3.50 (# 2781:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2781, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 647, 648,
&end
#
# 44 ASN HN 44 ASN HB+ 7.00 (# 2782:20 Unique 2.92, 3.31 A)
&rst
ixpk= 2782, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 647, 648,
&end
#
# 44 ASN HN 44 ASN HB- 7.00 (# 2783:20 Unique 2.92, 3.31 A)
&rst
ixpk= 2783, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 647, 648,
&end
#
# 44 ASN HD2+ 44 ASN HB+ 5.50 (# 2784:20 Unique 2.27, 3.27 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 647, 648,
&end
#
# 44 ASN HD2+ 44 ASN HB- 5.50 (# 2785:20 Unique 2.27, 3.27 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 647, 648,
&end
#
# 44 ASN HD2- 44 ASN HB+ 5.50 (# 2786:20 Unique 2.27, 3.27 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 647, 648,
&end
#
# 44 ASN HD2- 44 ASN HB- 5.50 (# 2787:20 Unique 2.27, 3.27 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 647, 648,
&end
#
# 43 PRO HB- 44 ASN HB+ 7.00 (# 2789:20 Unique 3.45, 4.98 A)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 636, 637,
igr2= 647, 648,
&end
#
# 43 PRO HB- 44 ASN HB- 5.50 (# 2790:20 Unique 3.45, 4.98 A)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 636, 637,
igr2= 647, 648,
&end
#
# 65 VAL MG1 44 ASN HB+ 5.50 (# 2791:20 Unique 4.42, 5.23 A)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 970, 971, 972,
igr2= 647, 648,
&end
#
# 65 VAL MG1 44 ASN HB- 5.50 (# 2792:20 Unique 4.42, 5.23 A)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 970, 971, 972,
igr2= 647, 648,
&end
#
# 65 VAL HA 46 LYS HB- 5.50 (# 2797:20 Unique 2.53, 3.02 A)
&rst
ixpk= 2797, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 0 AMB 20-2:2799 0 AMB 20-1:2799 3.00 (# 2799:20 Double Ambig)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 674, 675,2293,2294,
igr2= 671, 672,2290,2291,
&end
#
# 47 ALA HN 46 LYS HG+ 5.50 (# 2800:20 Unique 2.97, 4.19 A)
&rst
ixpk= 2800, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 672,
&end
#
# 46 LYS HN 46 LYS HD+ 5.50 (# 2801:20 Unique 4.03, 5.08 A)
&rst
ixpk= 2801, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 47 ALA HN 46 LYS HD+ 5.50 (# 2802:20 Unique 4.15, 5.34 A)
&rst
ixpk= 2802, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:2803 0 AMB 20-1:2803 5.50 (# 2803:20 Double Ambig)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 421, 966, 698,
igr2=2274,2275, 677, 678, 677, 678,
&end
#
# 0 AMB 20-2:2804 0 AMB 20-1:2804 5.50 (# 2804:20 Double Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2261,1765, 434,
igr2=2274,2275, 188, 189,2274,2275,
&end
#
# 0 AMB 20-2:2805 0 AMB 20-1:2805 5.50 (# 2805:20 Double Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 441, 664,
igr2=2274,2275, 677, 678,
&end
#
# 46 LYS HB+ 46 LYS HA 5.50 (# 2806:20 Unique 2.36, 2.46 A)
&rst
ixpk= 2806, nxpk= 20, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 668, 669,
&end
#
# 46 LYS HB- 46 LYS HA 5.50 (# 2807:20 Unique 2.36, 2.46 A)
&rst
ixpk= 2807, nxpk= 20, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 668, 669,
&end
#
# 46 LYS HG+ 46 LYS HA 5.50 (# 2808:20 Unique 2.60, 3.72 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 671, 672,
&end
#
# 47 ALA MB 46 LYS HA 5.50 (# 2809:20 Unique 4.35, 5.06 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 690, 691, 692,
&end
#
# 46 LYS HN 46 LYS HA 5.50 (# 2811:20 Unique 2.87, 2.92 A)
&rst
ixpk= 2811, nxpk= 20, iat= 664, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 VAL HN 47 ALA MB 5.50 (# 2812:20 Unique 3.26, 4.30 A)
&rst
ixpk= 2812, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 51 ALA HN 47 ALA MB 5.50 (# 2813:20 Unique 4.89, 6.08 A)
&rst
ixpk= 2813, nxpk= 20, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 52 VAL HA 47 ALA MB 5.50 (# 2814:20 Unique 3.57, 4.38 A)
&rst
ixpk= 2814, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 52 VAL HB 47 ALA MB 5.50 (# 2815:20 Unique 2.31, 3.08 A)
&rst
ixpk= 2815, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 49 PRO HD2 48 THR HA 4.50 (# 2817:20 Unique 2.52, 2.83 A)
&rst
ixpk= 2817, nxpk= 20, iat= 711, 698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PRO HD3 48 THR HA 3.50 (# 2818:20 Unique 2.13, 2.26 A)
&rst
ixpk= 2818, nxpk= 20, iat= 712, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 LYS HA 65 VAL HA 4.50 (# 2821:20 Unique 1.98, 2.29 A)
&rst
ixpk= 2821, nxpk= 20, iat= 666, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2823 65 VAL HA 5.50 (# 2823:20 Single Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 686, 657,
&end
#
# 46 LYS HN 0 AMB 20-1:2824 7.00 (# 2824:20 Single Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 966, 698,
&end
#
# 49 PRO HD2 48 THR MG2 4.50 (# 2827:20 Unique 4.03, 4.66 A)
&rst
ixpk= 2827, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 702, 703, 704,
&end
#
# 51 ALA HA 48 THR MG2 5.50 (# 2828:20 Unique 5.21, 6.44 A)
&rst
ixpk= 2828, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 702, 703, 704,
&end
#
# 11 THR HB 48 THR MG2 4.50 (# 2829:20 Unique 2.31, 3.19 A)
&rst
ixpk= 2829, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 702, 703, 704,
&end
#
# 127 TYR QD 48 THR MG2 5.50 (# 2830:20 Unique 5.43, 7.21 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1929,1938,
igr2= 702, 703, 704,
&end
#
# 49 PRO QB 48 THR MG2 7.00 (# 2832:20 Unique 6.93, 7.77 A)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 717, 718,
igr2= 702, 703, 704,
&end
#
# 124 ILE HG1- 50 HIS HA 5.50 (# 2833:20 Unique 2.70, 5.04 A)
&rst
ixpk= 2833, nxpk= 20, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1881,1882,
&end
#
# 0 AMB 20-2:2834 0 AMB 20-1:2834 5.50 (# 2834:20 Double Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 774, 775,2087,2088,2035,2036, 755,
igr2= 726,2021,
&end
#
# 0 AMB 20-2:2835 113 HIS HA 3.50 (# 2835:20 Single Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1729,1645,
&end
#
# 132 ASP HB+ 132 ASP HA 3.50 (# 2837:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2837, nxpk= 20, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2023,2024,
&end
#
# 124 ILE HA 124 ILE HG1- 5.50 (# 2838:20 Unique 2.48, 3.47 A)
&rst
ixpk= 2838, nxpk= 20, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1881,1882,
&end
#
# 0 AMB 20-2:2840 51 ALA MB 5.50 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 767, 782,
igr2= 745, 746, 747,
&end
#
# 16 MET HA 51 ALA MB 5.50 (# 2841:20 Unique 4.61, 5.80 A)
&rst
ixpk= 2841, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 745, 746, 747,
&end
#
# 52 VAL HA 51 ALA MB 5.50 (# 2842:20 Unique 4.17, 4.70 A)
&rst
ixpk= 2842, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 745, 746, 747,
&end
#
# 0 AMB 20-2:2843 51 ALA MB 5.50 (# 2843:20 Single Ambig)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 155, 726,
igr2= 745, 746, 747,
&end
#
# 127 TYR HB- 51 ALA MB 5.50 (# 2844:20 Unique 4.65, 5.90 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1925,1926,
igr2= 745, 746, 747,
&end
#
# 52 VAL HB 51 ALA MB 5.50 (# 2845:20 Unique 3.70, 4.68 A)
&rst
ixpk= 2845, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 745, 746, 747,
&end
#
# 51 ALA HN 51 ALA HA 5.50 (# 2846:20 Unique 2.84, 2.85 A)
&rst
ixpk= 2846, nxpk= 20, iat= 741, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 TYR HD2 51 ALA HA 5.50 (# 2847:20 Unique 2.64, 3.96 A)
&rst
ixpk= 2847, nxpk= 20, iat=1929, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HN 103 PHE HA 5.50 (# 2848:20 Unique 2.25, 2.30 A)
&rst
ixpk= 2848, nxpk= 20, iat=1590,1572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 VAL HN 52 VAL HA 5.50 (# 2849:20 Unique 2.80, 2.81 A)
&rst
ixpk= 2849, nxpk= 20, iat= 751, 753, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2851 0 AMB 20-1:2851 4.50 (# 2851:20 Double Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 753,1003,1004,
igr2= 755,1009,1010,
&end
#
# 109 VAL HB 109 VAL MG1 3.00 (# 2852:20 Unique 2.43, 2.67 A)
&rst
ixpk= 2852, nxpk= 20, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1687,1688,1689,
&end
#
# 69 LEU HB+ 37 ALA MB 3.50 (# 2853:20 Unique 2.29, 3.67 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1020,1021,
igr2= 559, 560, 561,
&end
#
# 148 ASP HB+ 145 LEU MD2 5.50 (# 2855:20 Unique 2.73, 6.79 A)
&rst
ixpk= 2855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2309,2310,
igr2=2255,2256,2257,
&end
#
# 46 LYS HE+ 65 VAL MG1 5.50 (# 2856:20 Unique 5.36, 7.40 A)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678,
igr2= 970, 971, 972,
&end
#
# 44 ASN HB+ 65 VAL MG1 5.50 (# 2857:20 Unique 4.42, 5.23 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 647, 648,
igr2= 970, 971, 972,
&end
#
# 44 ASN HB- 65 VAL MG1 5.50 (# 2858:20 Unique 4.42, 5.23 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 647, 648,
igr2= 970, 971, 972,
&end
#
# 56 PHE HB+ 52 VAL MG1 5.50 (# 2859:20 Unique 4.27, 5.80 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 815, 816,
igr2= 757, 758, 759,
&end
#
# 11 THR HB 11 THR MG2 3.50 (# 2860:20 Unique 2.41, 2.66 A)
&rst
ixpk= 2860, nxpk= 20, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 159, 160, 161,
&end
#
# 48 THR HN 11 THR MG2 5.50 (# 2861:20 Unique 3.29, 5.18 A)
&rst
ixpk= 2861, nxpk= 20, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 159, 160, 161,
&end
#
# 56 PHE HB- 53 GLU HA 5.50 (# 2862:20 Unique 2.26, 2.79 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 815, 816,
&end
#
# 0 AMB 20-2:2863 0 AMB 20-1:2863 4.50 (# 2863:20 Double Ambig)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 405, 406, 815, 816,2143,2144,
igr2= 397, 769,2082,
&end
#
# 25 ALA HN 27 ARG HB+ 6.00 (# 2864:20 Unique 5.18, 6.35 A)
&rst
ixpk= 2864, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 399, 400,
&end
#
# 50 HIS HD 53 GLU HG+ 5.50 (# 2865:20 Unique 3.57, 4.80 A)
&rst
ixpk= 2865, nxpk= 20, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 774, 775,
&end
#
# 50 HIS HA 53 GLU HG+ 5.50 (# 2866:20 Unique 3.90, 4.54 A)
&rst
ixpk= 2866, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:2867 0 AMB 20-1:2867 5.50 (# 2867:20 Double Ambig)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1731, 726,
igr2=1652,1653, 774, 775,
&end
#
# 0 AMB 20-2:2868 0 AMB 20-1:2868 5.50 (# 2868:20 Double Ambig)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 815, 816, 405, 406,
igr2= 774, 775, 426, 427,
&end
#
# 0 AMB 20-2:2869 28 GLU HG- 5.50 (# 2869:20 Single Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 353, 372,
igr2= 426, 427,
&end
#
# 0 AMB 20-2:2870 0 AMB 20-1:2870 5.50 (# 2870:20 Double Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 353, 372,
igr2= 426, 427, 426, 427,
&end
#
# 0 AMB 20-2:2871 54 ALA MB 4.50 (# 2871:20 Single Ambig)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1944,1873,
igr2= 786, 787, 788,
&end
#
# 58 LYS HE+ 54 ALA MB 5.50 (# 2872:20 Unique 4.85, 6.58 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 859, 860,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2873 54 ALA MB 5.50 (# 2873:20 Single Ambig)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 774, 775, 755,
igr2= 786, 787, 788,
&end
#
# 0 AMB 20-2:2874 54 ALA MB 5.50 (# 2874:20 Single Ambig)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 751, 831,
igr2= 786, 787, 788,
&end
#
# 127 TYR HD2 54 ALA MB 5.50 (# 2875:20 Unique 4.12, 5.28 A)
&rst
ixpk= 2875, nxpk= 20, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 786, 787, 788,
&end
#
# 57 GLU HN 54 ALA HA 5.50 (# 2876:20 Unique 3.42, 3.52 A)
&rst
ixpk= 2876, nxpk= 20, iat= 831, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS HE+ 54 ALA HA 7.00 (# 2877:20 Unique 5.86, 6.85 A)
&rst
ixpk= 2877, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 859, 860,
&end
#
# 0 AMB 20-2:2878 54 ALA HA 5.50 (# 2878:20 Single Ambig)
&rst
ixpk= 2878, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 835, 836,1946,1947,
&end
#
# 55 LEU HN 55 LEU HB+ 5.50 (# 2879:20 Unique 2.17, 2.91 A)
&rst
ixpk= 2879, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:2880 0 AMB 20-1:2880 5.50 (# 2880:20 Double Ambig)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 811, 782,
igr2= 796, 797, 796, 797,
&end
#
# 0 AMB 20-2:2881 0 AMB 20-1:2881 5.50 (# 2881:20 Double Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 811, 782,
igr2= 796, 797, 796, 797,
&end
#
# 55 LEU HA 55 LEU HB+ 5.50 (# 2882:20 Unique 2.60, 2.81 A)
&rst
ixpk= 2882, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 57 GLU HN 56 PHE HB+ 5.50 (# 2883:20 Unique 2.72, 3.36 A)
&rst
ixpk= 2883, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 815, 816,
&end
#
# 52 VAL MG1 56 PHE HB- 5.50 (# 2886:20 Unique 4.27, 5.80 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 757, 758, 759,
igr2= 815, 816,
&end
#
# 56 PHE HB- 56 PHE HA 4.50 (# 2887:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 815, 816,
&end
#
# 56 PHE HB+ 56 PHE HA 4.50 (# 2888:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2888, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 815, 816,
&end
#
# 58 LYS HN 57 GLU HB+ 5.50 (# 2889:20 Unique 2.66, 3.33 A)
&rst
ixpk= 2889, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 58 LYS HN 57 GLU HB- 5.50 (# 2890:20 Unique 2.66, 3.33 A)
&rst
ixpk= 2890, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 836,
&end
#
# 72 GLU HN 71 GLU HG+ 5.50 (# 2891:20 Unique 4.24, 4.65 A)
&rst
ixpk= 2891, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 72 GLU HN 71 GLU HG- 5.50 (# 2892:20 Unique 4.24, 4.65 A)
&rst
ixpk= 2892, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 95 PHE QD 71 GLU HG+ 5.50 (# 2893:20 Unique 3.42, 5.13 A)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1056,1057,
&end
#
# 95 PHE QD 71 GLU HG- 5.50 (# 2894:20 Unique 3.42, 5.13 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1056,1057,
&end
#
# 0 AMB 20-2:2895 58 LYS HA 5.50 (# 2895:20 Single Ambig)
&rst
ixpk= 2895, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 898, 899, 900, 286,
&end
#
# 0 AMB 20-2:2896 58 LYS HA 5.50 (# 2896:20 Single Ambig)
&rst
ixpk= 2896, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 885, 831,
&end
#
# 106 LYS HN 106 LYS HB+ 5.50 (# 2897:20 Unique 2.37, 3.05 A)
&rst
ixpk= 2897, nxpk= 20, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1627,1628,
&end
#
# 58 LYS HN 58 LYS HB+ 5.50 (# 2898:20 Unique 2.38, 2.57 A)
&rst
ixpk= 2898, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 850, 851,
&end
#
# 58 LYS HN 58 LYS HB- 5.50 (# 2899:20 Unique 2.38, 2.57 A)
&rst
ixpk= 2899, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 850, 851,
&end
#
# 58 LYS HG- 58 LYS HB- 4.50 (# 2900:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854,
igr2= 850, 851,
&end
#
# 58 LYS HG- 58 LYS HB+ 5.50 (# 2901:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 853, 854,
igr2= 850, 851,
&end
#
# 60 ILE QD1 58 LYS HB- 5.50 (# 2902:20 Unique 2.35, 4.19 A)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 898, 899, 900,
igr2= 850, 851,
&end
#
# 60 ILE QD1 58 LYS HB+ 5.50 (# 2903:20 Unique 2.35, 4.19 A)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 898, 899, 900,
igr2= 850, 851,
&end
#
# 58 LYS HA 58 LYS HG+ 5.50 (# 2904:20 Unique 2.30, 2.72 A)
&rst
ixpk= 2904, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 853, 854,
&end
#
# 58 LYS HE+ 58 LYS HG- 5.50 (# 2905:20 Unique 2.96, 3.72 A)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2= 853, 854,
&end
#
# 58 LYS HE- 58 LYS HG- 5.50 (# 2906:20 Unique 2.96, 3.72 A)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2= 853, 854,
&end
#
# 58 LYS HE+ 58 LYS HG+ 5.50 (# 2907:20 Unique 2.96, 3.72 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2= 853, 854,
&end
#
# 58 LYS HE- 58 LYS HG+ 5.50 (# 2908:20 Unique 2.96, 3.72 A)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2= 853, 854,
&end
#
# 60 ILE QD1 58 LYS HG- 5.50 (# 2909:20 Unique 2.44, 3.86 A)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 898, 899, 900,
igr2= 853, 854,
&end
#
# 60 ILE QD1 58 LYS HG+ 4.50 (# 2910:20 Unique 2.44, 3.86 A)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 898, 899, 900,
igr2= 853, 854,
&end
#
# 58 LYS HB+ 58 LYS HD- 5.50 (# 2913:20 Unique 2.54, 3.29 A)
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 850, 851,
igr2= 856, 857,
&end
#
# 58 LYS HA 58 LYS HE- 5.50 (# 2915:20 Unique 4.03, 4.88 A)
&rst
ixpk= 2915, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 859, 860,
&end
#
# 58 LYS HA 58 LYS HE+ 5.50 (# 2916:20 Unique 4.03, 4.88 A)
&rst
ixpk= 2916, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 859, 860,
&end
#
# 59 HIS HN 59 HIS HB- 5.50 (# 2919:20 Unique 3.10, 3.60 A)
&rst
ixpk= 2919, nxpk= 20, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 872, 873,
&end
#
# 59 HIS HN 59 HIS HB+ 5.50 (# 2920:20 Unique 3.10, 3.60 A)
&rst
ixpk= 2920, nxpk= 20, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 872, 873,
&end
#
# 59 HIS HD2 59 HIS HB+ 5.50 (# 2921:20 Unique 2.84, 3.43 A)
&rst
ixpk= 2921, nxpk= 20, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 872, 873,
&end
#
# 59 HIS HD2 59 HIS HB- 5.50 (# 2922:20 Unique 2.84, 3.43 A)
&rst
ixpk= 2922, nxpk= 20, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 872, 873,
&end
#
# 60 ILE HN 59 HIS HB+ 7.00 (# 2923:20 Unique 4.43, 4.49 A)
&rst
ixpk= 2923, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 872, 873,
&end
#
# 0 AMB 20-2:2924 59 HIS HB- 5.50 (# 2924:20 Single Ambig)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 885, 831,
igr2= 872, 873,
&end
#
# 60 ILE HN 60 ILE HA 5.50 (# 2925:20 Unique 2.98, 2.98 A)
&rst
ixpk= 2925, nxpk= 20, iat= 885, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HB+ 60 ILE HB 4.50 (# 2926:20 Unique 2.45, 3.38 A)
&rst
ixpk= 2926, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 796, 797,
&end
#
# 60 ILE HG1+ 60 ILE HB 5.50 (# 2927:20 Unique 2.49, 2.80 A)
&rst
ixpk= 2927, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 895, 896,
&end
#
# 0 AMB 20-2:2928 60 ILE HB 5.50 (# 2928:20 Single Ambig)
&rst
ixpk= 2928, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 887, 813,
&end
#
# 20 LEU HN 60 ILE QG2 5.50 (# 2929:20 Unique 4.25, 5.53 A)
&rst
ixpk= 2929, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 891, 892, 893,
&end
#
# 0 AMB 20-2:2930 60 ILE QD1 5.50 (# 2930:20 Single Ambig)
&rst
ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 904, 811,
igr2= 898, 899, 900,
&end
#
# 20 LEU HN 60 ILE QD1 5.50 (# 2931:20 Unique 4.39, 5.25 A)
&rst
ixpk= 2931, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:2932 60 ILE QD1 5.50 (# 2932:20 Single Ambig)
&rst
ixpk= 2932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 351, 914,
igr2= 898, 899, 900,
&end
#
# 23 SER HN 60 ILE QD1 5.50 (# 2933:20 Unique 3.98, 5.03 A)
&rst
ixpk= 2933, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 23 SER HA 60 ILE QD1 5.50 (# 2934:20 Unique 5.06, 5.80 A)
&rst
ixpk= 2934, nxpk= 20, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 63 ASN HD2- 61 ALA MB 5.50 (# 2935:20 Unique 2.55, 5.17 A)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 942, 943,
igr2= 908, 909, 910,
&end
#
# 56 PHE QE 61 ALA MB 5.50 (# 2936:20 Unique 2.67, 5.84 A)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 821, 825,
igr2= 908, 909, 910,
&end
#
# 62 LEU HB+ 62 LEU HA 5.50 (# 2938:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 918, 919,
&end
#
# 62 LEU QD1 62 LEU HA 5.50 (# 2939:20 Unique 4.30, 4.74 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 923, 924, 925,
&end
#
# 62 LEU HG 62 LEU HB+ 5.50 (# 2940:20 Unique 2.34, 2.72 A)
&rst
ixpk= 2940, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU HG 62 LEU HB- 5.50 (# 2941:20 Unique 2.34, 2.72 A)
&rst
ixpk= 2941, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU QD1 62 LEU HB+ 5.50 (# 2942:20 Unique 2.32, 3.04 A)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925,
igr2= 918, 919,
&end
#
# 52 VAL MG2 62 LEU HB+ 5.50 (# 2943:20 Unique 2.15, 3.87 A)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 761, 762, 763,
igr2= 918, 919,
&end
#
# 52 VAL HA 62 LEU HB- 5.50 (# 2945:20 Unique 2.08, 2.66 A)
&rst
ixpk= 2945, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU HA 62 LEU HB- 5.50 (# 2946:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2946, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU HA 62 LEU HB+ 5.50 (# 2947:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2947, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU HN 62 LEU HB- 5.50 (# 2948:20 Unique 2.14, 2.46 A)
&rst
ixpk= 2948, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU HN 62 LEU HB+ 5.50 (# 2949:20 Unique 2.14, 2.46 A)
&rst
ixpk= 2949, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 62 LEU QD2 62 LEU HB+ 5.50 (# 2950:20 Unique 2.47, 3.59 A)
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 927, 928, 929,
igr2= 918, 919,
&end
#
# 0 AMB 20-2:2955 62 LEU QD1 5.50 (# 2955:20 Single Ambig)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 916, 155,
igr2= 923, 924, 925,
&end
#
# 0 AMB 20-2:2956 62 LEU QD1 5.50 (# 2956:20 Single Ambig)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 743, 223,
igr2= 923, 924, 925,
&end
#
# 16 MET HA 62 LEU QD1 5.50 (# 2957:20 Unique 2.75, 3.52 A)
&rst
ixpk= 2957, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 923, 924, 925,
&end
#
# 55 LEU HA 62 LEU QD1 7.00 (# 2958:20 Unique 5.14, 6.36 A)
&rst
ixpk= 2958, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 923, 924, 925,
&end
#
# 13 ARG HA 62 LEU QD1 5.50 (# 2959:20 Unique 5.50, 6.53 A)
&rst
ixpk= 2959, nxpk= 20, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 923, 924, 925,
&end
#
# 64 HIS HB+ 62 LEU QD1 5.50 (# 2960:20 Unique 4.66, 5.58 A)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 951, 952,
igr2= 923, 924, 925,
&end
#
# 64 HIS HB- 62 LEU QD1 5.50 (# 2961:20 Unique 4.66, 5.58 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 951, 952,
igr2= 923, 924, 925,
&end
#
# 16 MET HE1 62 LEU QD1 5.50 (# 2962:20 Unique 4.62, 6.18 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 238, 239, 240,
igr2= 923, 924, 925,
&end
#
# 52 VAL HN 62 LEU QD1 5.50 (# 2964:20 Unique 3.39, 4.41 A)
&rst
ixpk= 2964, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 923, 924, 925,
&end
#
# 16 MET HN 62 LEU QD1 5.50 (# 2965:20 Unique 3.32, 4.50 A)
&rst
ixpk= 2965, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 923, 924, 925,
&end
#
# 62 LEU HN 62 LEU QD1 5.50 (# 2966:20 Unique 4.48, 5.12 A)
&rst
ixpk= 2966, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 923, 924, 925,
&end
#
# 141 LEU HN 141 LEU HG 5.50 (# 2967:20 Unique 4.04, 4.17 A)
&rst
ixpk= 2967, nxpk= 20, iat=2174,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 ALA HN 141 LEU HG 5.50 (# 2968:20 Unique 4.65, 4.95 A)
&rst
ixpk= 2968, nxpk= 20, iat=2193,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HD2 141 LEU HG 5.50 (# 2969:20 Unique 2.35, 2.46 A)
&rst
ixpk= 2969, nxpk= 20, iat=1668,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HN 99 ARG HG- 5.50 (# 2970:20 Unique 3.03, 4.72 A)
&rst
ixpk= 2970, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:2971 73 LEU MD2 5.50 (# 2971:20 Single Ambig)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 544, 555, 565,
igr2=1092,1093,1094,
&end
#
# 35 ARG HD+ 73 LEU MD2 5.50 (# 2972:20 Unique 3.33, 5.64 A)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 530, 531,
igr2=1092,1093,1094,
&end
#
# 35 ARG HD- 73 LEU MD2 5.50 (# 2973:20 Unique 3.33, 5.64 A)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 530, 531,
igr2=1092,1093,1094,
&end
#
# 0 AMB 20-2:2974 141 LEU HG 5.50 (# 2974:20 Single Ambig)
&rst
ixpk= 2974, nxpk= 20, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2249,2102,
&end
#
# 62 LEU HN 62 LEU QD2 5.50 (# 2975:20 Unique 4.74, 5.28 A)
&rst
ixpk= 2975, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 927, 928, 929,
&end
#
# 0 AMB 20-2:2976 62 LEU QD2 5.50 (# 2976:20 Single Ambig)
&rst
ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 942, 943, 269,
igr2= 927, 928, 929,
&end
#
# 63 ASN HN 63 ASN HA 7.00 (# 2977:20 Unique 2.29, 2.59 A)
&rst
ixpk= 2977, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 63 ASN HD2- 63 ASN HB- 7.00 (# 2978:20 Unique 2.30, 3.45 A)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 942, 943,
igr2= 937, 938,
&end
#
# 0 AMB 20-2:2979 0 AMB 20-1:2979 5.50 (# 2979:20 Double Ambig)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 908, 909, 910, 921,
igr2= 937, 938, 937, 938,
&end
#
# 60 ILE HN 60 ILE HG1- 5.50 (# 2980:20 Unique 2.86, 3.51 A)
&rst
ixpk= 2980, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 896,
&end
#
# 60 ILE HN 60 ILE HG1+ 5.50 (# 2981:20 Unique 2.86, 3.51 A)
&rst
ixpk= 2981, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 896,
&end
#
# 82 ALA HN 82 ALA HA 5.50 (# 2982:20 Unique 2.92, 2.94 A)
&rst
ixpk= 2982, nxpk= 20, iat=1217,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ALA HN 104 THR HA 5.50 (# 2983:20 Unique 2.69, 2.82 A)
&rst
ixpk= 2983, nxpk= 20, iat=1217,1592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2984 106 LYS HA 5.50 (# 2984:20 Single Ambig)
&rst
ixpk= 2984, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1697,1645,
&end
#
# 109 VAL HN 106 LYS HA 5.50 (# 2985:20 Unique 3.30, 3.49 A)
&rst
ixpk= 2985, nxpk= 20, iat=1681,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HN 106 LYS HA 5.50 (# 2986:20 Unique 2.91, 2.95 A)
&rst
ixpk= 2986, nxpk= 20, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HE- 106 LYS HA 7.00 (# 2987:20 Unique 4.08, 4.48 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1636,1637,
&end
#
# 109 VAL HB 106 LYS HA 5.50 (# 2988:20 Unique 3.04, 3.29 A)
&rst
ixpk= 2988, nxpk= 20, iat=1685,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2989 106 LYS HA 5.50 (# 2989:20 Single Ambig)
&rst
ixpk= 2989, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1613,1614,1615,1687,1688,1689,
&end
#
# 0 AMB 20-2:2992 2 ASP HA 5.50 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 506, 492,
&end
#
# 0 AMB 20-2:2993 2 ASP HA 5.50 (# 2993:20 Single Ambig)
&rst
ixpk= 2993, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 43, 44, 37,
&end
#
# 0 AMB 20-2:2994 79 LEU HA 4.50 (# 2994:20 Single Ambig)
&rst
ixpk= 2994, nxpk= 20, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1176,1177,1178,
&end
#
# 79 LEU HB+ 79 LEU HA 5.50 (# 2995:20 Unique 2.54, 2.82 A)
&rst
ixpk= 2995, nxpk= 20, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1167,1168,
&end
#
# 79 LEU HG 79 LEU HA 5.50 (# 2996:20 Unique 2.77, 3.01 A)
&rst
ixpk= 2996, nxpk= 20, iat=1170,1165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU MD1 79 LEU HA 5.50 (# 2997:20 Unique 2.18, 3.05 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1172,1173,1174,
&end
#
# 80 VAL HN 102 VAL HA 5.50 (# 2998:20 Unique 2.74, 2.89 A)
&rst
ixpk= 2998, nxpk= 20, iat=1182,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER HA 6 VAL HA 5.50 (# 3004:20 Unique 4.10, 4.45 A)
&rst
ixpk= 3004, nxpk= 20, iat= 546, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 PHE HA 82 ALA HA 5.50 (# 3005:20 Unique 4.59, 4.76 A)
&rst
ixpk= 3005, nxpk= 20, iat= 73,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU HA 102 VAL HA 7.00 (# 3006:20 Unique 4.15, 4.26 A)
&rst
ixpk= 3006, nxpk= 20, iat=1200,1556, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:3008 104 THR HA 5.50 (# 3008:20 Single Ambig)
&rst
ixpk= 3008, nxpk= 20, iat= -1,1592, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1200,1246,
&end
#
# 2 ASP HN 2 ASP HA 5.50 (# 3009:20 Unique 2.90, 2.92 A)
&rst
ixpk= 3009, nxpk= 20, iat= 21, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 VAL HN 101 LYS HA 5.50 (# 3013:20 Unique 3.12, 3.38 A)
&rst
ixpk= 3013, nxpk= 20, iat=1554,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 VAL HN 102 VAL HA 5.50 (# 3014:20 Unique 2.90, 2.93 A)
&rst
ixpk= 3014, nxpk= 20, iat=1554,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE HN 103 PHE HA 7.00 (# 3015:20 Unique 2.95, 2.95 A)
&rst
ixpk= 3015, nxpk= 20, iat=1570,1572, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 THR HN 104 THR HA 7.00 (# 3016:20 Unique 2.91, 2.92 A)
&rst
ixpk= 3016, nxpk= 20, iat=1590,1592, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:3017 0 AMB 20-1:3017 5.50 (# 3017:20 Double Ambig)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1753, 33,
igr2=1757,1758, 25, 26,
&end
#
# 4 ILE HN 3 ILE HB 5.50 (# 3018:20 Unique 3.89, 4.07 A)
&rst
ixpk= 3018, nxpk= 20, iat= 52, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 PHE HN 4 ILE HB 5.50 (# 3019:20 Unique 4.25, 4.32 A)
&rst
ixpk= 3019, nxpk= 20, iat= 71, 56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HN 78 ASP HB+ 5.50 (# 3020:20 Unique 2.99, 3.68 A)
&rst
ixpk= 3020, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 79 LEU HN 78 ASP HB- 5.50 (# 3021:20 Unique 2.99, 3.68 A)
&rst
ixpk= 3021, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 80 VAL HN 79 LEU HB+ 5.50 (# 3022:20 Unique 3.70, 4.07 A)
&rst
ixpk= 3022, nxpk= 20, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1167,1168,
&end
#
# 81 LEU HN 81 LEU HB+ 5.50 (# 3023:20 Unique 2.58, 2.92 A)
&rst
ixpk= 3023, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 81 LEU HN 81 LEU HB- 5.50 (# 3024:20 Unique 2.58, 2.92 A)
&rst
ixpk= 3024, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 82 ALA HN 81 LEU HB+ 5.50 (# 3025:20 Unique 4.05, 4.38 A)
&rst
ixpk= 3025, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 101 LYS HN 101 LYS HB- 5.50 (# 3026:20 Unique 2.28, 3.14 A)
&rst
ixpk= 3026, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1536,1537,
&end
#
# 101 LYS HN 101 LYS HB+ 5.50 (# 3027:20 Unique 2.28, 3.14 A)
&rst
ixpk= 3027, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1536,1537,
&end
#
# 102 VAL HN 101 LYS HB+ 5.50 (# 3028:20 Unique 3.21, 4.09 A)
&rst
ixpk= 3028, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1536,1537,
&end
#
# 102 VAL HN 101 LYS HB- 7.00 (# 3029:20 Unique 3.21, 4.09 A)
&rst
ixpk= 3029, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1536,1537,
&end
#
# 103 PHE HA 103 PHE HB+ 5.50 (# 3030:20 Unique 2.47, 2.77 A)
&rst
ixpk= 3030, nxpk= 20, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 81 LEU HG 103 PHE HB+ 5.50 (# 3033:20 Unique 2.83, 3.69 A)
&rst
ixpk= 3033, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 81 LEU HG 103 PHE HB- 5.50 (# 3034:20 Unique 2.83, 3.69 A)
&rst
ixpk= 3034, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:3035 0 AMB 20-1:3035 7.00 (# 3035:20 Double Ambig)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.53, r4=12.03,
igr1=1202,1203,1564,1565,1566,
igr2=1574,1575,1574,1575,
&end
#
# 107 GLU HG- 103 PHE HB+ 5.50 (# 3037:20 Unique 3.21, 5.16 A)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1652,1653,
igr2=1574,1575,
&end
#
# 108 TYR HB+ 103 PHE HB- 5.50 (# 3038:20 Unique 2.27, 3.29 A)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1664,1665,
igr2=1574,1575,
&end
#
# 107 GLU HG+ 103 PHE HB- 7.00 (# 3039:20 Unique 3.21, 5.16 A)
&rst
ixpk= 3039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1652,1653,
igr2=1574,1575,
&end
#
# 108 TYR HB+ 103 PHE HB+ 5.50 (# 3040:20 Unique 2.27, 3.29 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1664,1665,
igr2=1574,1575,
&end
#
# 107 GLU HG+ 103 PHE HB+ 7.00 (# 3041:20 Unique 3.21, 5.16 A)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1652,1653,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:3042 16 MET HE1 5.50 (# 3042:20 Single Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1921,1964,
igr2= 238, 239, 240,
&end
#
# 131 ARG HA 16 MET HE1 5.50 (# 3043:20 Unique 3.13, 4.03 A)
&rst
ixpk= 3043, nxpk= 20, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 0 AMB 20-2:3045 74 MET HE 7.00 (# 3045:20 Single Ambig)
&rst
ixpk= 3045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1386,1451,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:3046 74 MET HE 7.00 (# 3046:20 Single Ambig)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1520,1182,
igr2=1109,1110,1111,
&end
#
# 95 PHE HN 74 MET HE 5.50 (# 3048:20 Unique 5.85, 6.88 A)
&rst
ixpk= 3048, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 75 GLU HN 74 MET HE 5.50 (# 3049:20 Unique 5.75, 6.31 A)
&rst
ixpk= 3049, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 101 LYS HN 74 MET HE 7.00 (# 3050:20 Unique 3.68, 4.99 A)
&rst
ixpk= 3050, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1109,1110,1111,
&end
#
# 95 PHE HA 74 MET HE 7.00 (# 3051:20 Unique 5.56, 6.97 A)
&rst
ixpk= 3051, nxpk= 20, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1109,1110,1111,
&end
#
# 80 VAL HA 74 MET HE 7.00 (# 3053:20 Unique 6.03, 6.88 A)
&rst
ixpk= 3053, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1109,1110,1111,
&end
#
# 102 VAL HN 74 MET HE 5.50 (# 3054:20 Unique 4.29, 5.63 A)
&rst
ixpk= 3054, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 116 VAL MG1 13 ARG HD+ 5.50 (# 3056:20 Unique 2.70, 4.49 A)
&rst
ixpk= 3056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1771,1772,1773,
igr2= 188, 189,
&end
#
# 0 AMB 20-2:3057 0 AMB 20-1:3057 5.50 (# 3057:20 Double Ambig)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 256, 320,1983,
igr2= 331, 332, 331, 332, 188, 189,
&end
#
# 0 AMB 20-2:3058 0 AMB 20-1:3058 7.00 (# 3058:20 Double Ambig)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 492, 506,
igr2= 331, 332, 331, 332,
&end
#
# 0 AMB 20-2:3059 0 AMB 20-1:3059 5.50 (# 3059:20 Double Ambig)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 318, 178,1995,
igr2= 331, 332, 188, 189, 188, 189,
&end
#
# 34 VAL HN 22 LYS HE+ 7.00 (# 3060:20 Unique 3.23, 4.87 A)
&rst
ixpk= 3060, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 331, 332,
&end
#
# 134 LEU HN 133 GLU HG- 5.50 (# 3061:20 Unique 3.72, 4.33 A)
&rst
ixpk= 3061, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2038,2039,
&end
#
# 130 THR HA 133 GLU HG- 5.50 (# 3062:20 Unique 4.85, 5.54 A)
&rst
ixpk= 3062, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2038,2039,
&end
#
# 116 VAL MG1 133 GLU HG- 5.50 (# 3063:20 Unique 2.17, 3.88 A)
&rst
ixpk= 3063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1771,1772,1773,
igr2=2038,2039,
&end
#
# 133 GLU HN 0 AMB 20-1:3064 5.50 (# 3064:20 Single Ambig)
&rst
ixpk= 3064, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2038,2039,2087,2088,
&end
#
# 134 LEU HN 133 GLU HG+ 7.00 (# 3065:20 Unique 3.72, 4.33 A)
&rst
ixpk= 3065, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2038,2039,
&end
#
# 116 VAL MG1 133 GLU HG+ 5.50 (# 3067:20 Unique 2.17, 3.88 A)
&rst
ixpk= 3067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1771,1772,1773,
igr2=2038,2039,
&end
#
# 133 GLU HN 133 GLU HB+ 5.50 (# 3068:20 Unique 2.38, 2.53 A)
&rst
ixpk= 3068, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2035,2036,
&end
#
# 117 LEU MD1 133 GLU HB+ 5.50 (# 3069:20 Unique 4.68, 6.29 A)
&rst
ixpk= 3069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1790,1791,1792,
igr2=2035,2036,
&end
#
# 134 LEU HN 133 GLU HB+ 5.50 (# 3070:20 Unique 2.59, 3.26 A)
&rst
ixpk= 3070, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2035,2036,
&end
#
# 0 AMB 20-2:3084 81 LEU MD1 5.50 (# 3084:20 Single Ambig)
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1691,1692,1693,1167,1168,2121,
igr2=1207,1208,1209,
&end
#
# 3 ILE HB 81 LEU MD1 5.50 (# 3085:20 Unique 5.07, 6.17 A)
&rst
ixpk= 3085, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1207,1208,1209,
&end
#
# 0 AMB 20-2:3086 81 LEU MD1 5.50 (# 3086:20 Single Ambig)
&rst
ixpk= 3086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1238,1239,1240, 15, 16, 17,2102,2249,
igr2=1207,1208,1209,
&end
#
# 105 LEU HA 81 LEU MD1 5.50 (# 3087:20 Unique 3.98, 4.82 A)
&rst
ixpk= 3087, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1207,1208,1209,
&end
#
# 81 LEU HA 81 LEU MD1 5.50 (# 3088:20 Unique 4.25, 4.45 A)
&rst
ixpk= 3088, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1207,1208,1209,
&end
#
# 108 TYR QE 81 LEU MD1 5.50 (# 3089:20 Unique 3.75, 5.42 A)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2=1207,1208,1209,
&end
#
# 108 TYR HD1 81 LEU MD1 5.50 (# 3090:20 Unique 2.52, 3.79 A)
&rst
ixpk= 3090, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1207,1208,1209,
&end
#
# 142 ALA HA 145 LEU MD1 5.50 (# 3091:20 Unique 3.10, 4.28 A)
&rst
ixpk= 3091, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2251,2252,2253,
&end
#
# 0 AMB 20-2:3092 105 LEU MD1 3.00 (# 3092:20 Single Ambig)
&rst
ixpk= 3092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2123,2124,2125,2183,2184,2185,
igr2=1613,1614,1615,
&end
#
# 8 THR HB 8 THR MG2 3.50 (# 3093:20 Unique 2.41, 2.66 A)
&rst
ixpk= 3093, nxpk= 20, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 124, 125, 126,
&end
#
# 40 PHE HA 8 THR MG2 7.00 (# 3094:20 Unique 5.13, 7.07 A)
&rst
ixpk= 3094, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 124, 125, 126,
&end
#
# 87 HIS HD2 8 THR MG2 5.50 (# 3095:20 Unique 2.41, 4.15 A)
&rst
ixpk= 3095, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 124, 125, 126,
&end
#
# 41 ALA HN 8 THR MG2 7.00 (# 3096:20 Unique 5.61, 7.46 A)
&rst
ixpk= 3096, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 124, 125, 126,
&end
#
# 39 VAL HN 8 THR MG2 5.50 (# 3097:20 Unique 4.13, 5.20 A)
&rst
ixpk= 3097, nxpk= 20, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 124, 125, 126,
&end
#
# 0 AMB 20-2:3098 81 LEU HG 5.50 (# 3098:20 Single Ambig)
&rst
ixpk= 3098, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1608,1609,1186,
&end
#
# 0 AMB 20-2:3099 81 LEU HG 5.50 (# 3099:20 Single Ambig)
&rst
ixpk= 3099, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1238,1239,1240,1649,1650, 15, 16, 17,
&end
#
# 108 TYR HA 81 LEU HG 5.70 (# 3100:20 Unique 5.66, 5.73 A)
&rst
ixpk= 3100, nxpk= 20, iat=1662,1205, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 0 AMB 20-2:3102 79 LEU MD2 5.50 (# 3102:20 Single Ambig)
&rst
ixpk= 3102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1165,1534,
igr2=1176,1177,1178,
&end
#
# 102 VAL HA 79 LEU MD2 7.00 (# 3104:20 Unique 6.47, 7.24 A)
&rst
ixpk= 3104, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1176,1177,1178,
&end
#
# 104 THR HA 81 LEU HG 5.50 (# 3105:20 Unique 5.54, 5.56 A)
&rst
ixpk= 3105, nxpk= 20, iat=1592,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ALA HA 6 VAL MG2 5.50 (# 3108:20 Unique 3.12, 4.76 A)
&rst
ixpk= 3108, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:3109 81 LEU HB- 5.50 (# 3109:20 Single Ambig)
&rst
ixpk= 3109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1170,1613,1614,1615,
igr2=1202,1203,
&end
#
# 81 LEU HG 81 LEU HB- 5.50 (# 3112:20 Unique 2.52, 2.82 A)
&rst
ixpk= 3112, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 81 LEU MD1 81 LEU HB- 5.50 (# 3113:20 Unique 2.33, 3.09 A)
&rst
ixpk= 3113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1207,1208,1209,
igr2=1202,1203,
&end
#
# 134 LEU HG 134 LEU HB- 5.50 (# 3114:20 Unique 2.46, 2.77 A)
&rst
ixpk= 3114, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 133 GLU HG+ 134 LEU HB- 5.50 (# 3116:20 Unique 4.75, 6.12 A)
&rst
ixpk= 3116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2038,2039,
igr2=2050,2051,
&end
#
# 5 PHE QD 81 LEU HB- 5.50 (# 3117:20 Unique 2.56, 4.70 A)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 79, 87,
igr2=1202,1203,
&end
#
# 81 LEU HA 81 LEU HB- 5.50 (# 3118:20 Unique 2.78, 2.87 A)
&rst
ixpk= 3118, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 5 PHE QD 81 LEU HB+ 5.50 (# 3119:20 Unique 2.56, 4.70 A)
&rst
ixpk= 3119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 79, 87,
igr2=1202,1203,
&end
#
# 81 LEU HA 81 LEU HB+ 5.50 (# 3120:20 Unique 2.78, 2.87 A)
&rst
ixpk= 3120, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 0 AMB 20-2:3121 0 AMB 20-1:3121 5.50 (# 3121:20 Double Ambig)
&rst
ixpk= 3121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1170,1613,1614,1615,
igr2=1202,1203,1202,1203,
&end
#
# 81 LEU MD1 81 LEU HB+ 5.50 (# 3122:20 Unique 2.33, 3.09 A)
&rst
ixpk= 3122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1207,1208,1209,
igr2=1202,1203,
&end
#
# 81 LEU HG 81 LEU HB+ 5.50 (# 3123:20 Unique 2.52, 2.82 A)
&rst
ixpk= 3123, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1203,
&end
#
# 138 LEU HN 138 LEU HB- 5.50 (# 3124:20 Unique 2.24, 2.90 A)
&rst
ixpk= 3124, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2118,2119,
&end
#
# 138 LEU HN 138 LEU HB+ 5.50 (# 3125:20 Unique 2.24, 2.90 A)
&rst
ixpk= 3125, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2118,2119,
&end
#
# 21 PHE HD2 138 LEU HB- 7.00 (# 3126:20 Unique 6.16, 7.14 A)
&rst
ixpk= 3126, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2118,2119,
&end
#
# 0 AMB 20-2:3127 0 AMB 20-1:3127 5.50 (# 3127:20 Double Ambig)
&rst
ixpk= 3127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2157, 314,
igr2=2118,2119,2118,2119,
&end
#
# 138 LEU MD2 138 LEU HB- 5.50 (# 3128:20 Unique 2.35, 3.11 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2127,2128,2129,
igr2=2118,2119,
&end
#
# 138 LEU MD2 138 LEU HB+ 5.50 (# 3129:20 Unique 2.35, 3.11 A)
&rst
ixpk= 3129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2127,2128,2129,
igr2=2118,2119,
&end
#
# 0 AMB 20-2:3130 69 LEU HB- 5.50 (# 3130:20 Single Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1025,1026,1027, 58, 59, 60,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:3131 69 LEU HB- 5.50 (# 3131:20 Single Ambig)
&rst
ixpk= 3131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 582, 583, 584, 97, 98, 99,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:3132 0 AMB 20-1:3132 5.50 (# 3132:20 Double Ambig)
&rst
ixpk= 3132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 582, 583, 584, 97, 98, 99,2108,2109,2110,
igr2=1020,1021,1020,1021,1608,1609,
&end
#
# 90 ILE HA 90 ILE HB 5.50 (# 3133:20 Unique 3.04, 3.04 A)
&rst
ixpk= 3133, nxpk= 20, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3134 91 ILE HB 5.50 (# 3134:20 Single Ambig)
&rst
ixpk= 3134, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1311,1369,
&end
#
# 87 HIS HA 90 ILE HB 5.50 (# 3135:20 Unique 2.60, 2.72 A)
&rst
ixpk= 3135, nxpk= 20, iat=1294,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE HB 55 LEU HB+ 5.50 (# 3136:20 Unique 2.45, 3.38 A)
&rst
ixpk= 3136, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 796, 797,
&end
#
# 46 LYS HB+ 65 VAL HA 5.50 (# 3137:20 Unique 2.53, 3.02 A)
&rst
ixpk= 3137, nxpk= 20, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 668, 669,
&end
#
# 69 LEU HN 69 LEU HB+ 5.50 (# 3138:20 Unique 2.36, 2.60 A)
&rst
ixpk= 3138, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 105 LEU HN 105 LEU HB- 5.50 (# 3139:20 Unique 2.24, 2.49 A)
&rst
ixpk= 3139, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1608,1609,
&end
#
# 105 LEU HN 105 LEU HB+ 5.50 (# 3140:20 Unique 2.24, 2.49 A)
&rst
ixpk= 3140, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1608,1609,
&end
#
# 146 LYS HN 145 LEU HB+ 5.50 (# 3141:20 Unique 2.45, 3.27 A)
&rst
ixpk= 3141, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 146 LYS HN 145 LEU HB- 5.50 (# 3142:20 Unique 2.45, 3.27 A)
&rst
ixpk= 3142, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 70 THR HN 73 LEU HB+ 5.50 (# 3143:20 Unique 2.57, 3.14 A)
&rst
ixpk= 3143, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 70 THR HN 73 LEU HB- 5.50 (# 3144:20 Unique 2.57, 3.14 A)
&rst
ixpk= 3144, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 73 LEU HA 73 LEU HB+ 5.50 (# 3145:20 Unique 2.44, 2.76 A)
&rst
ixpk= 3145, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 69 LEU HN 69 LEU HB- 5.50 (# 3147:20 Unique 2.36, 2.60 A)
&rst
ixpk= 3147, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 69 LEU HA 69 LEU HB- 5.50 (# 3148:20 Unique 2.45, 2.76 A)
&rst
ixpk= 3148, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 69 LEU HA 69 LEU HB+ 5.50 (# 3149:20 Unique 2.45, 2.76 A)
&rst
ixpk= 3149, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 71 GLU HN 71 GLU HG+ 5.50 (# 3150:20 Unique 4.27, 4.40 A)
&rst
ixpk= 3150, nxpk= 20, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 71 GLU HN 71 GLU HG- 5.50 (# 3151:20 Unique 4.27, 4.40 A)
&rst
ixpk= 3151, nxpk= 20, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1056,1057,
&end
#
# 95 PHE HD2 71 GLU HB- 5.50 (# 3152:20 Unique 2.89, 3.91 A)
&rst
ixpk= 3152, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1053,1054,
&end
#
# 95 PHE QD 71 GLU HB+ 5.50 (# 3153:20 Unique 2.89, 5.43 A)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1053,1054,
&end
#
# 95 PHE QD 71 GLU HB- 5.50 (# 3154:20 Unique 2.89, 5.43 A)
&rst
ixpk= 3154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1053,1054,
&end
#
# 94 GLN HE2+ 71 GLU HB+ 7.00 (# 3155:20 Unique 5.34, 6.48 A)
&rst
ixpk= 3155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1419,1420,
igr2=1053,1054,
&end
#
# 94 GLN HE2+ 71 GLU HB- 5.50 (# 3156:20 Unique 5.34, 6.48 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1053,1054,
&end
#
# 70 THR HB 71 GLU HB- 5.50 (# 3157:20 Unique 4.54, 4.62 A)
&rst
ixpk= 3157, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1053,1054,
&end
#
# 70 THR MG2 71 GLU HB+ 5.50 (# 3159:20 Unique 5.27, 6.47 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1041,1042,1043,
igr2=1053,1054,
&end
#
# 138 LEU MD2 21 PHE HB- 5.50 (# 3160:20 Unique 2.36, 4.05 A)
&rst
ixpk= 3160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2127,2128,2129,
igr2= 302, 303,
&end
#
# 138 LEU MD2 21 PHE HB+ 5.50 (# 3161:20 Unique 2.36, 4.05 A)
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2127,2128,2129,
igr2= 302, 303,
&end
#
# 0 AMB 20-2:3162 0 AMB 20-1:3162 5.50 (# 3162:20 Double Ambig)
&rst
ixpk= 3162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 288, 289, 290, 357, 358, 359, 286, 43, 44,
igr2= 302, 303, 302, 303, 302, 303, 302, 303,
&end
#
# 0 AMB 20-2:3163 21 PHE HB- 5.50 (# 3163:20 Single Ambig)
&rst
ixpk= 3163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 288, 289, 290, 357, 358, 359, 286, 43, 44,
igr2= 302, 303,
&end
#
# 34 VAL MG1 21 PHE HB+ 5.50 (# 3164:20 Unique 2.77, 4.68 A)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 510, 511, 512,
igr2= 302, 303,
&end
#
# 34 VAL MG1 21 PHE HB- 5.50 (# 3165:20 Unique 2.77, 4.68 A)
&rst
ixpk= 3165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 510, 511, 512,
igr2= 302, 303,
&end
#
# 34 VAL MG2 21 PHE HB- 5.50 (# 3166:20 Unique 2.49, 4.66 A)
&rst
ixpk= 3166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 514, 515, 516,
igr2= 302, 303,
&end
#
# 0 AMB 20-2:3167 0 AMB 20-1:3167 5.50 (# 3167:20 Double Ambig)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2118,2119, 322, 323,
igr2= 302, 303, 302, 303,
&end
#
# 0 AMB 20-2:3170 0 AMB 20-1:3170 5.50 (# 3170:20 Double Ambig)
&rst
ixpk= 3170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1828, 300,
igr2=1830,1831, 302, 303,
&end
#
# 0 AMB 20-2:3171 0 AMB 20-1:3171 5.50 (# 3171:20 Double Ambig)
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1828, 300,
igr2=1830,1831, 302, 303,
&end
#
# 0 AMB 20-2:3175 0 AMB 20-1:3175 5.50 (# 3175:20 Double Ambig)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 318, 178,
igr2= 325, 326, 182, 183,
&end
#
# 131 ARG HA 134 LEU HB- 7.00 (# 3177:20 Unique 2.08, 2.64 A)
&rst
ixpk= 3177, nxpk= 20, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2050,2051,
&end
#
# 134 LEU HA 134 LEU HB- 5.50 (# 3178:20 Unique 2.53, 2.80 A)
&rst
ixpk= 3178, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 134 LEU HN 134 LEU HB+ 5.50 (# 3179:20 Unique 2.29, 2.45 A)
&rst
ixpk= 3179, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 134 LEU HN 134 LEU HB- 5.50 (# 3180:20 Unique 2.29, 2.45 A)
&rst
ixpk= 3180, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 135 GLU HN 134 LEU HB- 7.00 (# 3181:20 Unique 2.57, 3.25 A)
&rst
ixpk= 3181, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2050,2051,
&end
#
# 135 GLU HN 134 LEU HB+ 7.00 (# 3182:20 Unique 2.57, 3.25 A)
&rst
ixpk= 3182, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2050,2051,
&end
#
# 103 PHE HD2 103 PHE HB+ 5.50 (# 3200:20 Unique 2.40, 3.07 A)
&rst
ixpk= 3200, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 103 PHE QD 103 PHE HB+ 5.50 (# 3201:20 Unique 2.40, 3.08 A)
&rst
ixpk= 3201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1578,1586,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:3202 0 AMB 20-1:3202 5.50 (# 3202:20 Double Ambig)
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1580,1584,1668,
igr2=1574,1575,1574,1575,
&end
#
# 103 PHE HN 103 PHE HB+ 5.50 (# 3203:20 Unique 2.64, 3.27 A)
&rst
ixpk= 3203, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 104 THR HN 103 PHE HB+ 5.50 (# 3204:20 Unique 2.51, 3.35 A)
&rst
ixpk= 3204, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:3205 0 AMB 20-1:3205 3.00 (# 3205:20 Double Ambig)
&rst
ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2321,2322,2137,2138, 361, 362,2246,2247,
igr2=2327,2328,2143,2144, 405, 406,2351,2352,
&end
#
# 0 AMB 20-2:3206 0 AMB 20-1:3206 3.00 (# 3206:20 Double Ambig)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2002,2003,2348,2349,2140,2141, 850, 851,
igr2=2005,2006,2351,2352,2143,2144,
&end
#
# 0 AMB 20-2:3207 0 AMB 20-1:3207 5.50 (# 3207:20 Double Ambig)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1458,1459, 361, 362, 361, 362,
igr2=1506,1507, 405, 406,2143,2144,
&end
#
# 0 AMB 20-2:3208 0 AMB 20-1:3208 5.50 (# 3208:20 Double Ambig)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2309,2310,1155,1156,
igr2=2351,2352,2327,2328,
&end
#
# 58 LYS HE- 131 ARG QD 5.50 (# 3209:20 Unique 2.01, 3.78 A)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 859, 860,
igr2=2005,2006,
&end
#
# 0 AMB 20-2:3211 0 AMB 20-1:3211 5.50 (# 3211:20 Double Ambig)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1311, 372,
igr2=1506,1507, 405, 406,
&end
#
# 24 ILE HA 27 ARG HD+ 5.50 (# 3212:20 Unique 3.08, 4.55 A)
&rst
ixpk= 3212, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 405, 406,
&end
#
# 131 ARG HA 131 ARG QD 5.50 (# 3213:20 Unique 2.82, 4.73 A)
&rst
ixpk= 3213, nxpk= 20, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2005,2006,
&end
#
# 150 ARG HN 150 ARG HD+ 5.50 (# 3214:20 Unique 2.34, 4.15 A)
&rst
ixpk= 3214, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2351,2352,
&end
#
# 28 GLU HN 27 ARG HD+ 5.50 (# 3215:20 Unique 4.83, 5.43 A)
&rst
ixpk= 3215, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 405, 406,
&end
#
# 0 AMB 20-2:3216 0 AMB 20-1:3216 5.50 (# 3216:20 Double Ambig)
&rst
ixpk= 3216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1= 792,1396,2095, 434, 868,
igr2=2005,2006,1506,1507,2143,2144, 405, 406,
&end
#
# 139 ARG HN 139 ARG HD+ 5.50 (# 3217:20 Unique 4.00, 4.93 A)
&rst
ixpk= 3217, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2143,2144,
&end
#
# 37 ALA MB 35 ARG HD+ 7.00 (# 3218:20 Unique 5.79, 7.72 A)
&rst
ixpk= 3218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 559, 560, 561,
igr2= 530, 531,
&end
#
# 35 ARG HE 35 ARG HD+ 5.50 (# 3220:20 Unique 2.18, 2.77 A)
&rst
ixpk= 3220, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 35 ARG HA 35 ARG HD+ 5.50 (# 3221:20 Unique 2.89, 4.16 A)
&rst
ixpk= 3221, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 36 SER HN 35 ARG HD+ 5.50 (# 3222:20 Unique 4.00, 5.29 A)
&rst
ixpk= 3222, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 73 LEU MD2 35 ARG HD- 5.50 (# 3223:20 Unique 3.33, 5.64 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,1094,
igr2= 530, 531,
&end
#
# 73 LEU HB- 35 ARG HD- 5.50 (# 3224:20 Unique 5.50, 6.95 A)
&rst
ixpk= 3224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1083,1084,
igr2= 530, 531,
&end
#
# 35 ARG HA 35 ARG HD- 5.50 (# 3226:20 Unique 2.89, 4.16 A)
&rst
ixpk= 3226, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 36 SER HN 35 ARG HD- 5.50 (# 3227:20 Unique 4.00, 5.29 A)
&rst
ixpk= 3227, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 35 ARG HN 35 ARG HD- 7.00 (# 3228:20 Unique 2.70, 4.32 A)
&rst
ixpk= 3228, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 530, 531,
&end
#
# 35 ARG HE 35 ARG HD- 7.00 (# 3229:20 Unique 2.18, 2.77 A)
&rst
ixpk= 3229, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 530, 531,
&end
#
# 97 ARG HB- 97 ARG HD+ 4.50 (# 3231:20 Unique 2.49, 3.40 A)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1455,1456,
igr2=1461,1462,
&end
#
# 99 ARG HG+ 97 ARG HD+ 5.50 (# 3232:20 Unique 2.30, 5.88 A)
&rst
ixpk= 3232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1503,1504,
igr2=1461,1462,
&end
#
# 99 ARG HB+ 97 ARG HD+ 5.50 (# 3233:20 Unique 3.53, 4.78 A)
&rst
ixpk= 3233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1500,1501,
igr2=1461,1462,
&end
#
# 99 ARG HD+ 97 ARG HD+ 3.50 (# 3235:20 Unique 3.09, 4.80 A)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506,1507,
igr2=1461,1462,
&end
#
# 97 ARG HA 97 ARG HD+ 5.50 (# 3236:20 Unique 2.19, 4.20 A)
&rst
ixpk= 3236, nxpk= 20, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1461,1462,
&end
#
# 101 LYS HN 101 LYS HE+ 7.00 (# 3241:20 Unique 4.27, 4.75 A)
&rst
ixpk= 3241, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1545,1546,
&end
#
# 99 ARG HN 101 LYS HE+ 7.00 (# 3242:20 Unique 7.12, 7.94 A)
&rst
ixpk= 3242, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1545,1546,
&end
#
# 98 TYR QD 101 LYS HE+ 5.50 (# 3243:20 Unique 4.68, 6.67 A)
&rst
ixpk= 3243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1483,1492,
igr2=1545,1546,
&end
#
# 98 TYR HA 101 LYS HE+ 5.50 (# 3244:20 Unique 5.53, 6.33 A)
&rst
ixpk= 3244, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1545,1546,
&end
#
# 101 LYS HB+ 101 LYS HE+ 5.50 (# 3246:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:3248 0 AMB 20-1:3248 4.50 (# 3248:20 Double Ambig)
&rst
ixpk= 3248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1542,1543,1109,1110,1111,
igr2=1545,1546,1545,1546,
&end
#
# 101 LYS HG- 101 LYS HE+ 5.50 (# 3249:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1539,1540,
igr2=1545,1546,
&end
#
# 80 VAL MG2 101 LYS HE+ 5.50 (# 3250:20 Unique 2.89, 5.60 A)
&rst
ixpk= 3250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1545,1546,
&end
#
# 80 VAL MG2 101 LYS HE- 5.50 (# 3251:20 Unique 2.89, 5.60 A)
&rst
ixpk= 3251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1545,1546,
&end
#
# 101 LYS HB+ 101 LYS HE- 5.50 (# 3252:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1545,1546,
&end
#
# 101 LYS HB- 101 LYS HE- 5.50 (# 3253:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1545,1546,
&end
#
# 101 LYS HG- 101 LYS HE- 5.50 (# 3254:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1539,1540,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:3255 101 LYS HE- 5.50 (# 3255:20 Single Ambig)
&rst
ixpk= 3255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1145,1146,1147,1102,1103,
igr2=1545,1546,
&end
#
# 98 TYR HB- 101 LYS HE- 4.50 (# 3256:20 Unique 3.54, 5.35 A)
&rst
ixpk= 3256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1479,1480,
igr2=1545,1546,
&end
#
# 98 TYR HA 101 LYS HE- 7.00 (# 3258:20 Unique 5.53, 6.33 A)
&rst
ixpk= 3258, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1545,1546,
&end
#
# 98 TYR HB+ 101 LYS HE- 5.50 (# 3259:20 Unique 3.54, 5.35 A)
&rst
ixpk= 3259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1479,1480,
igr2=1545,1546,
&end
#
# 106 LYS HB+ 106 LYS HE+ 5.50 (# 3260:20 Unique 4.29, 4.90 A)
&rst
ixpk= 3260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1627,1628,
igr2=1636,1637,
&end
#
# 0 AMB 20-2:3261 0 AMB 20-1:3261 5.50 (# 3261:20 Double Ambig)
&rst
ixpk= 3261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2038,2039,2099,2100,
igr2=1636,1637,1636,1637,
&end
#
# 133 GLU HB- 106 LYS HE+ 5.50 (# 3262:20 Unique 5.73, 6.66 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2035,2036,
igr2=1636,1637,
&end
#
# 133 GLU HG- 106 LYS HE+ 5.50 (# 3263:20 Unique 3.44, 4.62 A)
&rst
ixpk= 3263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2038,2039,
igr2=1636,1637,
&end
#
# 116 VAL HA 106 LYS HE+ 5.50 (# 3264:20 Unique 2.42, 3.65 A)
&rst
ixpk= 3264, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1636,1637,
&end
#
# 106 LYS HA 106 LYS HE+ 5.50 (# 3265:20 Unique 4.08, 4.48 A)
&rst
ixpk= 3265, nxpk= 20, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1636,1637,
&end
#
# 0 AMB 20-2:3267 0 AMB 20-1:3267 5.50 (# 3267:20 Double Ambig)
&rst
ixpk= 3267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1534,1165,
igr2=1545,1546,1545,1546,
&end
#
# 79 LEU HN 2 ASP HB- 5.50 (# 3268:20 Unique 4.03, 4.96 A)
&rst
ixpk= 3268, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 79 LEU HN 2 ASP HB+ 5.50 (# 3269:20 Unique 4.03, 4.96 A)
&rst
ixpk= 3269, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 116 VAL HN 0 AMB 20-1:3270 5.50 (# 3270:20 Single Ambig)
&rst
ixpk= 3270, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1757,1758,1636,1637,
&end
#
# 116 VAL HN 115 ASP HB+ 5.50 (# 3271:20 Unique 3.37, 3.69 A)
&rst
ixpk= 3271, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1757,1758,
&end
#
# 116 VAL HN 115 ASP HB- 5.50 (# 3272:20 Unique 3.37, 3.69 A)
&rst
ixpk= 3272, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1757,1758,
&end
#
# 0 AMB 20-2:3273 0 AMB 20-1:3273 5.50 (# 3273:20 Double Ambig)
&rst
ixpk= 3273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1755,1246,
igr2=1757,1758,1757,1758,
&end
#
# 0 AMB 20-2:3274 115 ASP HB- 5.50 (# 3274:20 Single Ambig)
&rst
ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1755,1246,
igr2=1757,1758,
&end
#
# 0 AMB 20-2:3275 0 AMB 20-1:3275 4.50 (# 3275:20 Double Ambig)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 6,1132,
igr2= 25, 26, 25, 26,
&end
#
# 0 AMB 20-2:3276 115 ASP HB- 4.50 (# 3276:20 Single Ambig)
&rst
ixpk= 3276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1231,1232,1636,1637,
igr2=1757,1758,
&end
#
# 149 ARG HD+ 78 ASP HB- 5.50 (# 3277:20 Unique 4.94, 7.08 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2327,2328,
igr2=1155,1156,
&end
#
# 106 LYS HB+ 106 LYS HE- 5.50 (# 3278:20 Unique 4.29, 4.90 A)
&rst
ixpk= 3278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1627,1628,
igr2=1636,1637,
&end
#
# 0 AMB 20-2:3279 106 LYS HE- 5.50 (# 3279:20 Single Ambig)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2038,2039,2099,2100,2102,
igr2=1636,1637,
&end
#
# 133 GLU HG- 106 LYS HE- 5.50 (# 3280:20 Unique 3.44, 4.62 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2038,2039,
igr2=1636,1637,
&end
#
# 4 ILE QD1 2 ASP HB+ 5.50 (# 3281:20 Unique 5.66, 7.63 A)
&rst
ixpk= 3281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 65, 66, 67,
igr2= 25, 26,
&end
#
# 134 LEU HG 134 LEU HB+ 5.50 (# 3284:20 Unique 2.46, 2.77 A)
&rst
ixpk= 3284, nxpk= 20, iat=2053, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 133 GLU HG+ 134 LEU HB+ 5.50 (# 3285:20 Unique 4.75, 6.12 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2038,2039,
igr2=2050,2051,
&end
#
# 130 THR MG2 134 LEU HB+ 5.50 (# 3286:20 Unique 2.98, 4.36 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1987,1988,1989,
igr2=2050,2051,
&end
#
# 134 LEU HA 134 LEU HB+ 5.50 (# 3287:20 Unique 2.53, 2.80 A)
&rst
ixpk= 3287, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2050,2051,
&end
#
# 17 ALA MB 134 LEU HB+ 7.00 (# 3288:20 Unique 5.62, 6.73 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 248, 249, 250,
igr2=2050,2051,
&end
#
# 137 LEU HA 137 LEU HB+ 5.50 (# 3289:20 Unique 2.54, 2.81 A)
&rst
ixpk= 3289, nxpk= 20, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 52 VAL MG2 62 LEU HB+ 4.50 (# 3291:20 Unique 2.15, 3.87 A)
&rst
ixpk= 3291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 761, 762, 763,
igr2= 918, 919,
&end
#
# 138 LEU HA 138 LEU HB+ 5.50 (# 3292:20 Unique 2.61, 2.83 A)
&rst
ixpk= 3292, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2118,2119,
&end
#
# 0 AMB 20-2:3293 0 AMB 20-1:3293 3.00 (# 3293:20 Double Ambig)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2123,2124,2125, 288, 289, 290, 357, 358, 359,
igr2=2118,2119,2118,2119,2118,2119,
&end
#
# 0 AMB 20-2:3294 0 AMB 20-1:3294 3.50 (# 3294:20 Double Ambig)
&rst
ixpk= 3294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2249, 15, 16, 17,
igr2=2246,2247,2246,2247,
&end
#
# 142 ALA HA 145 LEU HB+ 5.50 (# 3295:20 Unique 2.48, 3.62 A)
&rst
ixpk= 3295, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 105 LEU HA 105 LEU HB+ 5.50 (# 3296:20 Unique 2.43, 2.74 A)
&rst
ixpk= 3296, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1608,1609,
&end
#
# 81 LEU HB+ 105 LEU HB+ 5.50 (# 3297:20 Unique 4.43, 6.55 A)
&rst
ixpk= 3297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1202,1203,
igr2=1608,1609,
&end
#
# 39 VAL HA 69 LEU HB+ 5.50 (# 3298:20 Unique 2.71, 3.53 A)
&rst
ixpk= 3298, nxpk= 20, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 141 LEU HG 141 LEU HB+ 5.50 (# 3300:20 Unique 2.41, 2.78 A)
&rst
ixpk= 3300, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2178,2179,
&end
#
# 0 AMB 20-2:3301 0 AMB 20-1:3301 5.50 (# 3301:20 Double Ambig)
&rst
ixpk= 3301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2108,2109,2110,2127,2128,2129,
igr2=2178,2179,2178,2179,
&end
#
# 0 AMB 20-2:3302 0 AMB 20-1:3302 5.50 (# 3302:20 Double Ambig)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=2183,2184,2185,2123,2124,2125,2251,2252,2253,
igr2=2178,2179,2178,2179,2178,2179,
&end
#
# 0 AMB 20-2:3303 0 AMB 20-1:3303 5.50 (# 3303:20 Double Ambig)
&rst
ixpk= 3303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1687,1688,1689,1613,1614,1615,
igr2=2178,2179,2178,2179,
&end
#
# 0 AMB 20-2:3304 0 AMB 20-1:3304 5.50 (# 3304:20 Double Ambig)
&rst
ixpk= 3304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1691,1692,1693,2121,
igr2=2178,2179,2178,2179,
&end
#
# 0 AMB 20-2:3306 0 AMB 20-1:3306 5.50 (# 3306:20 Double Ambig)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2102,2249,
igr2=2178,2179,2178,2179,
&end
#
# 145 LEU HA 141 LEU HB+ 7.00 (# 3307:20 Unique 6.53, 7.85 A)
&rst
ixpk= 3307, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2178,2179,
&end
#
# 142 ALA HN 141 LEU HB+ 5.50 (# 3308:20 Unique 2.57, 3.07 A)
&rst
ixpk= 3308, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2178,2179,
&end
#
# 141 LEU HN 141 LEU HB+ 5.50 (# 3309:20 Unique 2.12, 2.74 A)
&rst
ixpk= 3309, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2178,2179,
&end
#
# 0 AMB 20-2:3310 105 LEU HB- 5.50 (# 3310:20 Single Ambig)
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1234,1235,1238,1239,1240,
igr2=1608,1609,
&end
#
# 105 LEU HA 105 LEU HB- 5.50 (# 3311:20 Unique 2.43, 2.74 A)
&rst
ixpk= 3311, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1608,1609,
&end
#
# 0 AMB 20-2:3312 134 LEU HB- 5.50 (# 3312:20 Single Ambig)
&rst
ixpk= 3312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1987,1988,1989, 283, 284,
igr2=2050,2051,
&end
#
# 0 AMB 20-2:3313 81 LEU HB- 7.00 (# 3313:20 Single Ambig)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1608,1609, 37, 43, 44,1221,1222,1223,
igr2=1202,1203,
&end
#
# 0 AMB 20-2:3314 3 ILE HB 5.50 (# 3314:20 Single Ambig)
&rst
ixpk= 3314, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1207,1208,1209,1172,1173,1174,
&end
#
# 4 ILE QG2 3 ILE HB 7.00 (# 3315:20 Unique 6.87, 7.52 A)
&rst
ixpk= 3315, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 58, 59, 60,
&end
#
# 0 AMB 20-2:3316 3 ILE HB 5.50 (# 3316:20 Single Ambig)
&rst
ixpk= 3316, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1167,1168, 62, 63,
&end
#
# 34 VAL HB 3 ILE HB 5.50 (# 3317:20 Unique 2.63, 2.87 A)
&rst
ixpk= 3317, nxpk= 20, iat= 508, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 VAL HA 3 ILE HB 5.50 (# 3318:20 Unique 2.74, 2.96 A)
&rst
ixpk= 3318, nxpk= 20, iat= 506, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ASP HA 3 ILE HB 5.50 (# 3319:20 Unique 4.60, 4.71 A)
&rst
ixpk= 3319, nxpk= 20, iat= 23, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG HN 3 ILE HB 5.50 (# 3320:20 Unique 3.78, 3.88 A)
&rst
ixpk= 3320, nxpk= 20, iat= 520, 37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HA 69 LEU HB- 5.50 (# 3321:20 Unique 2.71, 3.53 A)
&rst
ixpk= 3321, nxpk= 20, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 117 LEU MD2 118 ASP HB- 5.50 (# 3322:20 Unique 4.00, 6.20 A)
&rst
ixpk= 3322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1794,1795,1796,
igr2=1804,1805,
&end
#
# 6 VAL MG1 5 PHE HB+ 5.50 (# 3323:20 Unique 5.12, 6.40 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 97, 98, 99,
igr2= 75, 76,
&end
#
# 18 GLU HB+ 5 PHE HB+ 5.50 (# 3324:20 Unique 3.39, 4.89 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 258, 259,
igr2= 75, 76,
&end
#
# 14 SER HA 5 PHE HB+ 5.50 (# 3325:20 Unique 2.37, 2.92 A)
&rst
ixpk= 3325, nxpk= 20, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 75, 76,
&end
#
# 14 SER HB+ 5 PHE HB+ 5.50 (# 3326:20 Unique 2.47, 3.63 A)
&rst
ixpk= 3326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 206, 207,
igr2= 75, 76,
&end
#
# 141 LEU HG 141 LEU HB- 5.50 (# 3328:20 Unique 2.41, 2.78 A)
&rst
ixpk= 3328, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2178,2179,
&end
#
# 0 AMB 20-2:3329 141 LEU HB- 5.50 (# 3329:20 Single Ambig)
&rst
ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1687,1688,1689,1613,1614,1615,
igr2=2178,2179,
&end
#
# 0 AMB 20-2:3331 141 LEU HB- 5.50 (# 3331:20 Single Ambig)
&rst
ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1691,1692,1693,2121,
igr2=2178,2179,
&end
#
# 145 LEU HA 141 LEU HB- 7.00 (# 3332:20 Unique 6.53, 7.85 A)
&rst
ixpk= 3332, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2178,2179,
&end
#
# 141 LEU HN 141 LEU HB- 5.50 (# 3333:20 Unique 2.12, 2.74 A)
&rst
ixpk= 3333, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2178,2179,
&end
#
# 145 LEU MD2 148 ASP HB- 5.50 (# 3334:20 Unique 2.73, 6.79 A)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2255,2256,2257,
igr2=2309,2310,
&end
#
# 0 AMB 20-2:3335 148 ASP HB- 5.50 (# 3335:20 Single Ambig)
&rst
ixpk= 3335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2290,2291,2246,2247,
igr2=2309,2310,
&end
#
# 0 AMB 20-2:3336 148 ASP HB- 5.50 (# 3336:20 Single Ambig)
&rst
ixpk= 3336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2345,2346,2287,2288,
igr2=2309,2310,
&end
#
# 150 ARG HD+ 148 ASP HB- 5.50 (# 3340:20 Unique 3.22, 5.98 A)
&rst
ixpk= 3340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2351,2352,
igr2=2309,2310,
&end
#
# 145 LEU HA 148 ASP HB- 5.50 (# 3341:20 Unique 2.16, 4.96 A)
&rst
ixpk= 3341, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2309,2310,
&end
#
# 148 ASP HA 148 ASP HB- 4.50 (# 3342:20 Unique 2.43, 2.77 A)
&rst
ixpk= 3342, nxpk= 20, iat=2307, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2309,2310,
&end
#
# 147 LYS HN 148 ASP HB- 7.00 (# 3343:20 Unique 3.58, 5.17 A)
&rst
ixpk= 3343, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2309,2310,
&end
#
# 148 ASP HA 148 ASP HB+ 3.50 (# 3344:20 Unique 2.43, 2.77 A)
&rst
ixpk= 3344, nxpk= 20, iat=2307, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2309,2310,
&end
#
# 145 LEU HA 148 ASP HB+ 5.50 (# 3345:20 Unique 2.16, 4.96 A)
&rst
ixpk= 3345, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2309,2310,
&end
#
# 149 ARG HA 148 ASP HB- 7.00 (# 3346:20 Unique 4.63, 5.53 A)
&rst
ixpk= 3346, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2309,2310,
&end
#
# 149 ARG HA 148 ASP HB+ 7.00 (# 3347:20 Unique 4.63, 5.53 A)
&rst
ixpk= 3347, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2309,2310,
&end
#
# 150 ARG HD+ 148 ASP HB+ 5.50 (# 3348:20 Unique 3.22, 5.98 A)
&rst
ixpk= 3348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2351,2352,
igr2=2309,2310,
&end
#
# 0 AMB 20-2:3349 0 AMB 20-1:3349 5.50 (# 3349:20 Double Ambig)
&rst
ixpk= 3349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2345,2346,2287,2288,2246,2247,
igr2=2309,2310,2309,2310,2309,2310,
&end
#
# 0 AMB 20-2:3351 0 AMB 20-1:3351 5.50 (# 3351:20 Double Ambig)
&rst
ixpk= 3351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2290,2291,2246,2247,
igr2=2309,2310,2309,2310,
&end
#
# 145 LEU MD2 148 ASP HB+ 5.50 (# 3352:20 Unique 2.73, 6.79 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2255,2256,2257,
igr2=2309,2310,
&end
#
# 54 ALA HA 58 LYS HE+ 6.00 (# 3354:20 Unique 5.86, 6.85 A)
&rst
ixpk= 3354, nxpk= 20, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 859, 860,
&end
#
# 128 LYS HA 58 LYS HE+ 7.00 (# 3355:20 Unique 5.69, 6.26 A)
&rst
ixpk= 3355, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 859, 860,
&end
#
# 78 ASP HN 78 ASP HB+ 5.50 (# 3368:20 Unique 2.59, 2.84 A)
&rst
ixpk= 3368, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 2 ASP HN 78 ASP HB+ 5.50 (# 3369:20 Unique 1.93, 2.59 A)
&rst
ixpk= 3369, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:3371 0 AMB 20-1:3371 5.50 (# 3371:20 Double Ambig)
&rst
ixpk= 3371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 15, 16, 17, 8, 9,
igr2=1155,1156,1155,1156,
&end
#
# 108 TYR HA 108 TYR HB+ 5.50 (# 3372:20 Unique 2.49, 2.77 A)
&rst
ixpk= 3372, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 35 ARG HD+ 33 ASN HB+ 5.50 (# 3373:20 Unique 4.37, 6.21 A)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531,
igr2= 494, 495,
&end
#
# 103 PHE HB+ 108 TYR HB+ 5.50 (# 3374:20 Unique 2.27, 3.29 A)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1574,1575,
igr2=1664,1665,
&end
#
# 107 GLU HG- 108 TYR HB+ 5.50 (# 3375:20 Unique 4.54, 5.95 A)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1652,1653,
igr2=1664,1665,
&end
#
# 0 AMB 20-2:3376 0 AMB 20-1:3376 5.50 (# 3376:20 Double Ambig)
&rst
ixpk= 3376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=1536,1537,1649,1650,1500,1501, 478,
igr2=1524,1525,1664,1665,1524,1525, 494, 495,
&end
#
# 0 AMB 20-2:3377 0 AMB 20-1:3377 5.50 (# 3377:20 Double Ambig)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1503,1504, 527, 528,
igr2=1524,1525, 494, 495,
&end
#
# 0 AMB 20-2:3378 0 AMB 20-1:3378 5.50 (# 3378:20 Double Ambig)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1503,1504,1109,1110,1111,
igr2=1524,1525,1524,1525,
&end
#
# 0 AMB 20-2:3379 0 AMB 20-1:3379 5.50 (# 3379:20 Double Ambig)
&rst
ixpk= 3379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 43, 44, 514, 515, 516, 37,
igr2= 494, 495, 494, 495, 494, 495,
&end
#
# 109 VAL MG2 108 TYR HB+ 5.50 (# 3380:20 Unique 2.45, 4.22 A)
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1691,1692,1693,
igr2=1664,1665,
&end
#
# 0 AMB 20-2:3381 0 AMB 20-1:3381 5.50 (# 3381:20 Double Ambig)
&rst
ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1613,1614,1615,1458,1459, 510, 511, 512,
igr2=1664,1665,1524,1525, 494, 495,
&end
#
# 0 AMB 20-2:3382 0 AMB 20-1:3382 5.50 (# 3382:20 Double Ambig)
&rst
ixpk= 3382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2183,2184,2185, 484, 485, 486,
igr2=1664,1665, 494, 495,
&end
#
# 0 AMB 20-2:3383 0 AMB 20-1:3383 5.50 (# 3383:20 Double Ambig)
&rst
ixpk= 3383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1202,1203,1564,1565,1566, 480, 481, 482,
igr2=1664,1665,1524,1525, 494, 495,
&end
#
# 81 LEU HG 108 TYR HB+ 5.50 (# 3384:20 Unique 3.25, 3.70 A)
&rst
ixpk= 3384, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 2 ASP HN 33 ASN HB+ 5.50 (# 3385:20 Unique 5.05, 5.89 A)
&rst
ixpk= 3385, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 494, 495,
&end
#
# 133 GLU HN 132 ASP HB+ 5.50 (# 3386:20 Unique 2.64, 3.33 A)
&rst
ixpk= 3386, nxpk= 20, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2023,2024,
&end
#
# 101 LYS HN 100 ASP HB+ 5.50 (# 3387:20 Unique 2.79, 3.50 A)
&rst
ixpk= 3387, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1524,1525,
&end
#
# 0 AMB 20-2:3388 0 AMB 20-1:3388 5.50 (# 3388:20 Double Ambig)
&rst
ixpk= 3388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1578,1586,2237,2238,
igr2=1664,1665,1664,1665,
&end
#
# 108 TYR HD1 108 TYR HB+ 5.50 (# 3389:20 Unique 2.35, 2.97 A)
&rst
ixpk= 3389, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 81 LEU HG 108 TYR HB- 5.50 (# 3390:20 Unique 3.25, 3.70 A)
&rst
ixpk= 3390, nxpk= 20, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 108 TYR HA 108 TYR HB- 5.50 (# 3391:20 Unique 2.49, 2.77 A)
&rst
ixpk= 3391, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 108 TYR QE 108 TYR HB- 5.50 (# 3392:20 Unique 4.67, 5.11 A)
&rst
ixpk= 3392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1670,1675,
igr2=1664,1665,
&end
#
# 108 TYR HN 108 TYR HB- 5.50 (# 3393:20 Unique 2.33, 2.47 A)
&rst
ixpk= 3393, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 95 PHE HN 95 PHE HB- 5.50 (# 3394:20 Unique 2.34, 2.97 A)
&rst
ixpk= 3394, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 95 PHE HD2 95 PHE HB- 5.50 (# 3395:20 Unique 3.30, 3.55 A)
&rst
ixpk= 3395, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 92 ALA HA 95 PHE HB- 5.50 (# 3396:20 Unique 2.88, 4.02 A)
&rst
ixpk= 3396, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 0 AMB 20-2:3397 95 PHE HB- 5.50 (# 3397:20 Single Ambig)
&rst
ixpk= 3397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1479,1480,1056,1057,
igr2=1428,1429,
&end
#
# 74 MET HG+ 95 PHE HB- 5.50 (# 3398:20 Unique 3.32, 4.69 A)
&rst
ixpk= 3398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1105,1106,
igr2=1428,1429,
&end
#
# 0 AMB 20-2:3399 0 AMB 20-1:3399 5.50 (# 3399:20 Double Ambig)
&rst
ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 578, 579, 580, 927, 928, 929,
igr2= 592, 593, 937, 938,
&end
#
# 65 VAL MG2 63 ASN HB- 5.50 (# 3400:20 Unique 4.88, 6.89 A)
&rst
ixpk= 3400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 974, 975, 976,
igr2= 937, 938,
&end
#
# 39 VAL HB 40 PHE HB- 7.00 (# 3401:20 Unique 4.20, 5.04 A)
&rst
ixpk= 3401, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 592, 593,
&end
#
# 54 ALA MB 127 TYR HB- 5.50 (# 3402:20 Unique 2.28, 3.40 A)
&rst
ixpk= 3402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 786, 787, 788,
igr2=1925,1926,
&end
#
# 0 AMB 20-2:3404 127 TYR HB- 5.50 (# 3404:20 Single Ambig)
&rst
ixpk= 3404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 782,1871,
igr2=1925,1926,
&end
#
# 127 TYR HD2 127 TYR HB- 5.50 (# 3405:20 Unique 2.39, 3.07 A)
&rst
ixpk= 3405, nxpk= 20, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1926,
&end
#
# 0 AMB 20-2:3406 90 ILE HB 5.50 (# 3406:20 Single Ambig)
&rst
ixpk= 3406, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1358,1359,1377,1378,
&end
#
# 0 AMB 20-2:3407 90 ILE HB 5.50 (# 3407:20 Single Ambig)
&rst
ixpk= 3407, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1311,
&end
#
# 91 ILE HN 90 ILE HB 5.50 (# 3409:20 Unique 2.70, 2.73 A)
&rst
ixpk= 3409, nxpk= 20, iat=1367,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU MD1 55 LEU HB+ 3.50 (# 3410:20 Unique 2.41, 3.50 A)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 801, 802, 803,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:3411 0 AMB 20-1:3411 5.50 (# 3411:20 Double Ambig)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1088,1089,1090,2127,2128,2129,
igr2=1071,1072,2072,2073,
&end
#
# 139 ARG HD+ 135 GLU HG+ 5.50 (# 3412:20 Unique 2.99, 5.07 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2143,2144,
igr2=2072,2073,
&end
#
# 132 ASP HA 135 GLU HG+ 5.50 (# 3413:20 Unique 5.32, 5.72 A)
&rst
ixpk= 3413, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2072,2073,
&end
#
# 0 AMB 20-2:3414 0 AMB 20-1:3414 5.50 (# 3414:20 Double Ambig)
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2082,2135,
igr2=2072,2073,2072,2073,
&end
#
# 71 GLU HG+ 72 GLU HG+ 5.50 (# 3415:20 Unique 6.25, 7.14 A)
&rst
ixpk= 3415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1056,1057,
igr2=1071,1072,
&end
#
# 0 AMB 20-2:3416 133 GLU HG- 5.50 (# 3416:20 Single Ambig)
&rst
ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1775,1776,1777,2099,2100,
igr2=2038,2039,
&end
#
# 116 VAL MG2 133 GLU HG+ 5.50 (# 3417:20 Unique 2.40, 4.90 A)
&rst
ixpk= 3417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1775,1776,1777,
igr2=2038,2039,
&end
#
# 39 VAL MG2 90 ILE HB 5.50 (# 3418:20 Unique 2.67, 4.21 A)
&rst
ixpk= 3418, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 582, 583, 584,
&end
#
# 0 AMB 20-2:3419 4 ILE HB 5.50 (# 3419:20 Single Ambig)
&rst
ixpk= 3419, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1182,
&end
#
# 139 ARG HN 138 LEU HB+ 5.50 (# 3420:20 Unique 3.15, 3.51 A)
&rst
ixpk= 3420, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2118,2119,
&end
#
# 29 GLY HN 30 LEU HB- 5.50 (# 3422:20 Unique 3.91, 4.79 A)
&rst
ixpk= 3422, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 109 VAL HN 108 TYR HB+ 5.50 (# 3423:20 Unique 2.42, 3.41 A)
&rst
ixpk= 3423, nxpk= 20, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 41 ALA MB 10 ASN HB- 5.50 (# 3424:20 Unique 2.35, 3.09 A)
&rst
ixpk= 3424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 612, 613, 614,
igr2= 143, 144,
&end
#
# 66 SER HB- 10 ASN HB- 5.50 (# 3426:20 Unique 2.21, 3.56 A)
&rst
ixpk= 3426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 984, 985,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:3427 10 ASN HB- 5.50 (# 3427:20 Single Ambig)
&rst
ixpk= 3427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 984, 985, 141,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:3428 10 ASN HB- 5.50 (# 3428:20 Single Ambig)
&rst
ixpk= 3428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 565, 555,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:3429 125 ASP HB- 5.50 (# 3429:20 Single Ambig)
&rst
ixpk= 3429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1906,1968,1969,
igr2=1894,1895,
&end
#
# 0 AMB 20-2:3430 125 ASP HB- 5.50 (# 3430:20 Single Ambig)
&rst
ixpk= 3430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1864,1865,1904,
igr2=1894,1895,
&end
#
# 41 ALA MB 10 ASN HB+ 5.50 (# 3431:20 Unique 2.35, 3.09 A)
&rst
ixpk= 3431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 612, 613, 614,
igr2= 143, 144,
&end
#
# 10 ASN HA 10 ASN HB+ 5.50 (# 3433:20 Unique 2.37, 2.73 A)
&rst
ixpk= 3433, nxpk= 20, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 143, 144,
&end
#
# 67 SER HN 10 ASN HB+ 5.50 (# 3435:20 Unique 3.64, 3.93 A)
&rst
ixpk= 3435, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:3437 0 AMB 20-1:3437 5.50 (# 3437:20 Double Ambig)
&rst
ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 565, 555,
igr2= 143, 144, 143, 144,
&end
#
# 66 SER HB- 10 ASN HB+ 7.00 (# 3438:20 Unique 2.21, 3.56 A)
&rst
ixpk= 3438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 984, 985,
igr2= 143, 144,
&end
#
# 34 VAL MG2 21 PHE HB+ 5.50 (# 3439:20 Unique 2.49, 4.66 A)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 514, 515, 516,
igr2= 302, 303,
&end
#
# 0 AMB 20-2:3440 24 ILE HB 7.00 (# 3440:20 Single Ambig)
&rst
ixpk= 3440, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 426, 427, 384, 385,
&end
#
# 0 AMB 20-2:3441 24 ILE HB 5.50 (# 3441:20 Single Ambig)
&rst
ixpk= 3441, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2118,2119,2140,2141, 399, 400,
&end
#
# 0 AMB 20-2:3442 0 AMB 20-1:3442 5.50 (# 3442:20 Double Ambig)
&rst
ixpk= 3442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 850, 851, 856, 857, 745, 746, 747,
igr2= 796, 797, 796, 797, 796, 797,
&end
#
# 0 AMB 20-2:3443 21 PHE HB- 5.50 (# 3443:20 Single Ambig)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2118,2119, 355,
igr2= 302, 303,
&end
#
# 0 AMB 20-2:3444 21 PHE HB- 5.50 (# 3444:20 Single Ambig)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2118,2119, 322, 323,
igr2= 302, 303,
&end
#
# 95 PHE HN 95 PHE HB+ 5.50 (# 3445:20 Unique 2.34, 2.97 A)
&rst
ixpk= 3445, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 98 TYR HN 0 AMB 20-1:3446 5.50 (# 3446:20 Single Ambig)
&rst
ixpk= 3446, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1479,1480,1428,1429,
&end
#
# 41 ALA HN 40 PHE HB+ 5.50 (# 3447:20 Unique 3.96, 4.29 A)
&rst
ixpk= 3447, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 132 ASP HA 132 ASP HB+ 4.50 (# 3448:20 Unique 2.44, 2.75 A)
&rst
ixpk= 3448, nxpk= 20, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2023,2024,
&end
#
# 0 AMB 20-2:3449 4 ILE HB 5.50 (# 3449:20 Single Ambig)
&rst
ixpk= 3449, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1145,1146,1147, 559, 560, 561,1102,1103,
&end
#
# 3 ILE QG2 4 ILE HB 5.50 (# 3450:20 Unique 4.92, 5.78 A)
&rst
ixpk= 3450, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41,
&end
#
# 0 AMB 20-2:3451 4 ILE HB 5.50 (# 3451:20 Single Ambig)
&rst
ixpk= 3451, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 524, 525, 527, 528,
&end
#
# 80 VAL HB 4 ILE HB 5.50 (# 3452:20 Unique 4.66, 4.81 A)
&rst
ixpk= 3452, nxpk= 20, iat=1186, 56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 VAL HA 4 ILE HB 5.50 (# 3453:20 Unique 2.58, 2.72 A)
&rst
ixpk= 3453, nxpk= 20, iat=1184, 56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 VAL MG1 117 LEU HB+ 5.50 (# 3456:20 Unique 2.72, 4.55 A)
&rst
ixpk= 3456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1771,1772,1773,
igr2=1785,1786,
&end
#
# 0 AMB 20-2:3459 34 VAL HB 7.00 (# 3459:20 Single Ambig)
&rst
ixpk= 3459, nxpk= 20, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 62, 63,2121,
&end
#
# 91 ILE HG1+ 88 LYS HB- 5.50 (# 3462:20 Unique 5.91, 6.96 A)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1377,1378,
igr2=1313,1314,
&end
#
# 104 THR MG2 88 LYS HB- 5.50 (# 3463:20 Unique 3.70, 5.07 A)
&rst
ixpk= 3463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1596,1597,1598,
igr2=1313,1314,
&end
#
# 102 VAL MG2 88 LYS HB- 5.50 (# 3464:20 Unique 3.33, 6.12 A)
&rst
ixpk= 3464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1564,1565,1566,
igr2=1313,1314,
&end
#
# 88 LYS HA 88 LYS HB- 5.50 (# 3465:20 Unique 2.34, 2.75 A)
&rst
ixpk= 3465, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 85 HIS HA 88 LYS HB- 5.50 (# 3466:20 Unique 2.19, 2.76 A)
&rst
ixpk= 3466, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 88 LYS HN 88 LYS HB- 5.50 (# 3467:20 Unique 2.33, 2.52 A)
&rst
ixpk= 3467, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 89 GLN HN 88 LYS HB- 5.50 (# 3468:20 Unique 2.55, 3.32 A)
&rst
ixpk= 3468, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 119 PRO HA 119 PRO HB+ 5.50 (# 3469:20 Unique 2.34, 2.53 A)
&rst
ixpk= 3469, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1819,1820,
&end
#
# 127 TYR HA 119 PRO HB+ 5.50 (# 3470:20 Unique 2.38, 2.70 A)
&rst
ixpk= 3470, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1819,1820,
&end
#
# 130 THR HB 119 PRO HB+ 7.00 (# 3472:20 Unique 2.44, 3.64 A)
&rst
ixpk= 3472, nxpk= 20, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1819,1820,
&end
#
# 126 ILE QG2 119 PRO HB+ 5.50 (# 3474:20 Unique 2.32, 3.81 A)
&rst
ixpk= 3474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1908,1909,1910,
igr2=1819,1820,
&end
#
# 130 THR MG2 119 PRO HB+ 5.50 (# 3475:20 Unique 2.66, 4.75 A)
&rst
ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1987,1988,1989,
igr2=1819,1820,
&end
#
# 150 ARG HD+ 150 ARG HB- 5.50 (# 3478:20 Unique 2.38, 3.38 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2351,2352,
igr2=2345,2346,
&end
#
# 149 ARG HA 150 ARG HB- 5.50 (# 3480:20 Unique 4.35, 5.48 A)
&rst
ixpk= 3480, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2345,2346,
&end
#
# 0 AMB 20-2:3481 150 ARG HB- 5.50 (# 3481:20 Single Ambig)
&rst
ixpk= 3481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2255,2256,2257,2251,2252,2253,
igr2=2345,2346,
&end
#
# 0 AMB 20-2:3482 0 AMB 20-1:3482 5.50 (# 3482:20 Double Ambig)
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1884,1885,1886,1877,1878,1879,
igr2=1946,1947,1946,1947,
&end
#
# 91 ILE HG1+ 88 LYS HB+ 5.50 (# 3483:20 Unique 5.91, 6.96 A)
&rst
ixpk= 3483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1377,1378,
igr2=1313,1314,
&end
#
# 90 ILE QG2 94 GLN HB+ 5.50 (# 3484:20 Unique 3.88, 5.41 A)
&rst
ixpk= 3484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1354,1355,1356,
igr2=1411,1412,
&end
#
# 62 LEU QD1 15 PRO HB- 5.50 (# 3485:20 Unique 2.69, 4.82 A)
&rst
ixpk= 3485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925,
igr2= 220, 221,
&end
#
# 53 GLU HB+ 124 ILE HG1- 5.50 (# 3488:20 Unique 2.65, 5.08 A)
&rst
ixpk= 3488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 771, 772,
igr2=1881,1882,
&end
#
# 106 LYS HB+ 106 LYS HG+ 4.50 (# 3489:20 Unique 2.36, 2.63 A)
&rst
ixpk= 3489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1627,1628,
igr2=1630,1631,
&end
#
# 15 PRO HA 15 PRO HB+ 5.50 (# 3491:20 Unique 2.24, 2.51 A)
&rst
ixpk= 3491, nxpk= 20, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 220, 221,
&end
#
# 15 PRO HG- 15 PRO HB+ 5.50 (# 3492:20 Unique 2.37, 2.64 A)
&rst
ixpk= 3492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 217, 218,
igr2= 220, 221,
&end
#
# 91 ILE HA 94 GLN HB+ 5.50 (# 3493:20 Unique 4.44, 4.78 A)
&rst
ixpk= 3493, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,
&end
#
# 74 MET HA 0 AMB 20-1:3494 5.50 (# 3494:20 Single Ambig)
&rst
ixpk= 3494, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1105,1106,1542,1543,
&end
#
# 71 GLU HA 74 MET HG- 5.50 (# 3495:20 Unique 2.72, 3.12 A)
&rst
ixpk= 3495, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1105,1106,
&end
#
# 0 AMB 20-2:3496 0 AMB 20-1:3496 5.50 (# 3496:20 Double Ambig)
&rst
ixpk= 3496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1479,1480,1428,1429,1117,
igr2=1105,1106,1542,1543,
&end
#
# 101 LYS HE+ 101 LYS HD+ 5.50 (# 3497:20 Unique 2.42, 2.77 A)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1542,1543,
&end
#
# 0 AMB 20-2:3498 74 MET HG- 5.50 (# 3498:20 Single Ambig)
&rst
ixpk= 3498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1056,1057,1479,1480,
igr2=1105,1106,
&end
#
# 0 AMB 20-2:3506 74 MET HG- 5.50 (# 3506:20 Single Ambig)
&rst
ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1483,1492,1434,1438,
igr2=1105,1106,
&end
#
# 0 AMB 20-2:3507 74 MET HG- 5.50 (# 3507:20 Single Ambig)
&rst
ixpk= 3507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1098,1079,
igr2=1105,1106,
&end
#
# 0 AMB 20-2:3508 0 AMB 20-1:3508 5.50 (# 3508:20 Double Ambig)
&rst
ixpk= 3508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1432,1440,1163,
igr2=1105,1106,1542,1543,
&end
#
# 95 PHE QD 94 GLN HB+ 5.50 (# 3509:20 Unique 3.66, 5.65 A)
&rst
ixpk= 3509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1411,1412,
&end
#
# 95 PHE HD2 94 GLN HB+ 5.50 (# 3510:20 Unique 3.66, 4.46 A)
&rst
ixpk= 3510, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,
&end
#
# 98 TYR HN 0 AMB 20-1:3511 5.50 (# 3511:20 Single Ambig)
&rst
ixpk= 3511, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1455,1456,1105,1106,
&end
#
# 0 AMB 20-2:3512 0 AMB 20-1:3512 5.50 (# 3512:20 Double Ambig)
&rst
ixpk= 3512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1483,1492,1434,1438,
igr2=1105,1106,1105,1106,
&end
#
# 95 PHE HN 94 GLN HB+ 5.50 (# 3513:20 Unique 3.87, 4.02 A)
&rst
ixpk= 3513, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,
&end
#
# 98 TYR HN 97 ARG HB+ 5.50 (# 3514:20 Unique 4.17, 4.51 A)
&rst
ixpk= 3514, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1455,1456,
&end
#
# 90 ILE HN 90 ILE HG1- 4.50 (# 3515:20 Unique 2.31, 3.07 A)
&rst
ixpk= 3515, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1358,1359,
&end
#
# 0 AMB 20-2:3516 0 AMB 20-1:3516 5.50 (# 3516:20 Double Ambig)
&rst
ixpk= 3516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2178,2179,2246,2247,2210,2211,
igr2=2229,2230,2229,2230,2229,2230,
&end
#
# 109 VAL MG2 144 GLN HB+ 5.50 (# 3517:20 Unique 4.04, 6.50 A)
&rst
ixpk= 3517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1691,1692,1693,
igr2=2229,2230,
&end
#
# 109 VAL MG1 144 GLN HB+ 5.50 (# 3518:20 Unique 4.47, 6.64 A)
&rst
ixpk= 3518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1687,1688,1689,
igr2=2229,2230,
&end
#
# 150 ARG HB- 144 GLN HB+ 7.00 (# 3519:20 Unique 2.82, 7.13 A)
&rst
ixpk= 3519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2345,2346,
igr2=2229,2230,
&end
#
# 143 LYS HN 144 GLN HB+ 7.00 (# 3520:20 Unique 4.67, 5.55 A)
&rst
ixpk= 3520, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2229,2230,
&end
#
# 144 GLN HE2+ 144 GLN HB+ 5.50 (# 3521:20 Unique 2.33, 3.82 A)
&rst
ixpk= 3521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2237,2238,
igr2=2229,2230,
&end
#
# 108 TYR QE 144 GLN HB+ 5.50 (# 3522:20 Unique 2.54, 4.91 A)
&rst
ixpk= 3522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1670,1675,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:3523 0 AMB 20-1:3523 5.50 (# 3523:20 Double Ambig)
&rst
ixpk= 3523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1691,1692,1693,1703,1704,1705,
igr2=2161,2162,2161,2162,
&end
#
# 0 AMB 20-2:3524 0 AMB 20-1:3524 5.50 (# 3524:20 Double Ambig)
&rst
ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1=2178,2179,1785,1786,1949,1950,2210,2211,1819,1820,
igr2=2161,2162,1968,1969,2161,2162,
&end
#
# 3 ILE QG2 145 LEU MD1 5.50 (# 3531:20 Unique 4.75, 6.81 A)
&rst
ixpk= 3531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2=2251,2252,2253,
&end
#
# 3 ILE QG2 79 LEU HG 5.50 (# 3532:20 Unique 2.54, 3.81 A)
&rst
ixpk= 3532, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41,
&end
#
# 3 ILE QG2 141 LEU MD1 5.50 (# 3533:20 Unique 4.26, 7.30 A)
&rst
ixpk= 3533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2=2183,2184,2185,
&end
#
# 150 ARG HB+ 79 LEU MD2 5.50 (# 3534:20 Unique 3.63, 6.60 A)
&rst
ixpk= 3534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2345,2346,
igr2=1176,1177,1178,
&end
#
# 78 ASP HB+ 79 LEU MD2 5.50 (# 3535:20 Unique 6.02, 7.71 A)
&rst
ixpk= 3535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1155,1156,
igr2=1176,1177,1178,
&end
#
# 108 TYR HB+ 79 LEU MD2 5.50 (# 3536:20 Unique 4.63, 6.25 A)
&rst
ixpk= 3536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1664,1665,
igr2=1176,1177,1178,
&end
#
# 103 PHE HB+ 79 LEU MD2 5.50 (# 3537:20 Unique 4.28, 6.34 A)
&rst
ixpk= 3537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1574,1575,
igr2=1176,1177,1178,
&end
#
# 80 VAL HA 79 LEU MD2 5.50 (# 3538:20 Unique 5.35, 6.19 A)
&rst
ixpk= 3538, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1176,1177,1178,
&end
#
# 81 LEU HA 79 LEU MD2 5.50 (# 3539:20 Unique 5.17, 6.14 A)
&rst
ixpk= 3539, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1176,1177,1178,
&end
#
# 0 AMB 20-2:3540 79 LEU MD2 5.50 (# 3540:20 Single Ambig)
&rst
ixpk= 3540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 33,1570,
igr2=1176,1177,1178,
&end
#
# 78 ASP HN 79 LEU MD2 7.00 (# 3541:20 Unique 6.67, 7.31 A)
&rst
ixpk= 3541, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1176,1177,1178,
&end
#
# 72 GLU HG+ 73 LEU MD1 5.50 (# 3542:20 Unique 4.92, 6.58 A)
&rst
ixpk= 3542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1071,1072,
igr2=1088,1089,1090,
&end
#
# 35 ARG HA 73 LEU MD1 6.50 (# 3544:20 Unique 4.99, 6.59 A)
&rst
ixpk= 3544, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1088,1089,1090,
&end
#
# 77 ALA HN 73 LEU MD1 5.50 (# 3545:20 Unique 4.12, 5.26 A)
&rst
ixpk= 3545, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 0 AMB 20-2:3547 73 LEU MD1 5.50 (# 3547:20 Single Ambig)
&rst
ixpk= 3547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 544,1064,
igr2=1088,1089,1090,
&end
#
# 86 GLN HG- 39 VAL MG2 5.50 (# 3548:20 Unique 5.35, 7.80 A)
&rst
ixpk= 3548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1282,1283,
igr2= 582, 583, 584,
&end
#
# 0 AMB 20-2:3550 0 AMB 20-1:3550 5.50 (# 3550:20 Double Ambig)
&rst
ixpk= 3550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1296,1297,1296,1297,
igr2= 582, 583, 584, 97, 98, 99,
&end
#
# 90 ILE HA 39 VAL MG2 5.50 (# 3552:20 Unique 5.39, 6.96 A)
&rst
ixpk= 3552, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 582, 583, 584,
&end
#
# 69 LEU HA 6 VAL MG1 7.00 (# 3553:20 Unique 6.45, 7.55 A)
&rst
ixpk= 3553, nxpk= 20, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 97, 98, 99,
&end
#
# 7 CYS HA 0 AMB 20-1:3554 5.50 (# 3554:20 Single Ambig)
&rst
ixpk= 3554, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 582, 583, 584, 97, 98, 99,
&end
#
# 80 VAL HA 6 VAL MG1 5.50 (# 3555:20 Unique 3.80, 4.87 A)
&rst
ixpk= 3555, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 36 SER HA 6 VAL MG1 7.00 (# 3556:20 Unique 5.31, 6.76 A)
&rst
ixpk= 3556, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 97, 98, 99,
&end
#
# 87 HIS HN 39 VAL MG2 5.50 (# 3557:20 Unique 5.52, 6.58 A)
&rst
ixpk= 3557, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 582, 583, 584,
&end
#
# 103 PHE HN 6 VAL MG1 5.50 (# 3558:20 Unique 6.12, 6.51 A)
&rst
ixpk= 3558, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 8 THR HA 8 THR MG2 3.50 (# 3565:20 Unique 2.34, 2.92 A)
&rst
ixpk= 3565, nxpk= 20, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 124, 125, 126,
&end
#
# 19 ALA HA 34 VAL MG2 5.50 (# 3568:20 Unique 5.25, 5.75 A)
&rst
ixpk= 3568, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 21 PHE HA 34 VAL MG2 5.50 (# 3569:20 Unique 5.26, 6.57 A)
&rst
ixpk= 3569, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 86 GLN HG- 8 THR MG2 5.50 (# 3573:20 Unique 4.80, 6.35 A)
&rst
ixpk= 3573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1282,1283,
igr2= 124, 125, 126,
&end
#
# 104 THR HN 81 LEU HG 7.00 (# 3577:20 Unique 5.78, 5.88 A)
&rst
ixpk= 3577, nxpk= 20, iat=1590,1205, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 106 LYS HN 105 LEU MD1 5.50 (# 3580:20 Unique 4.95, 5.57 A)
&rst
ixpk= 3580, nxpk= 20, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1613,1614,1615,
&end
#
# 138 LEU HN 105 LEU MD1 7.00 (# 3581:20 Unique 5.78, 7.12 A)
&rst
ixpk= 3581, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1613,1614,1615,
&end
#
# 108 TYR HN 105 LEU MD1 5.50 (# 3582:20 Unique 4.99, 6.39 A)
&rst
ixpk= 3582, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1613,1614,1615,
&end
#
# 80 VAL HN 101 LYS HG- 5.50 (# 3583:20 Unique 2.90, 5.10 A)
&rst
ixpk= 3583, nxpk= 20, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1539,1540,
&end
#
# 0 AMB 20-2:3584 105 LEU MD1 5.50 (# 3584:20 Single Ambig)
&rst
ixpk= 3584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1681,1765,
igr2=1613,1614,1615,
&end
#
# 108 TYR HD2 105 LEU MD1 7.00 (# 3585:20 Unique 4.31, 5.87 A)
&rst
ixpk= 3585, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1613,1614,1615,
&end
#
# 80 VAL MG2 101 LYS HG- 5.50 (# 3586:20 Unique 2.37, 4.95 A)
&rst
ixpk= 3586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1539,1540,
&end
#
# 101 LYS HE- 101 LYS HG- 5.50 (# 3587:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1539,1540,
&end
#
# 101 LYS HE+ 101 LYS HG- 5.50 (# 3588:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1539,1540,
&end
#
# 0 AMB 20-2:3589 101 LYS HG- 5.50 (# 3589:20 Single Ambig)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1534,1165,
igr2=1539,1540,
&end
#
# 101 LYS HN 101 LYS HG- 5.50 (# 3590:20 Unique 2.17, 2.95 A)
&rst
ixpk= 3590, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1539,1540,
&end
#
# 108 TYR HD1 105 LEU MD1 5.50 (# 3592:20 Unique 4.31, 5.87 A)
&rst
ixpk= 3592, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1613,1614,1615,
&end
#
# 58 LYS HE- 55 LEU MD1 5.50 (# 3593:20 Unique 3.38, 4.83 A)
&rst
ixpk= 3593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 859, 860,
igr2= 801, 802, 803,
&end
#
# 25 ALA HN 30 LEU MD1 5.50 (# 3595:20 Unique 5.28, 6.41 A)
&rst
ixpk= 3595, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 450, 451, 452,
&end
#
# 142 ALA HN 30 LEU MD1 5.50 (# 3596:20 Unique 5.39, 5.61 A)
&rst
ixpk= 3596, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 450, 451, 452,
&end
#
# 117 LEU HN 117 LEU MD1 5.50 (# 3597:20 Unique 4.51, 5.21 A)
&rst
ixpk= 3597, nxpk= 20, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1790,1791,1792,
&end
#
# 63 ASN HN 62 LEU QD2 5.50 (# 3598:20 Unique 2.14, 3.35 A)
&rst
ixpk= 3598, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 927, 928, 929,
&end
#
# 0 AMB 20-2:3599 0 AMB 20-1:3599 5.50 (# 3599:20 Double Ambig)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 696,1697,1645,
igr2= 927, 928, 929,2108,2109,2110,
&end
#
# 17 ALA HN 134 LEU MD1 5.50 (# 3600:20 Unique 4.13, 5.40 A)
&rst
ixpk= 3600, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:3601 134 LEU MD1 5.50 (# 3601:20 Single Ambig)
&rst
ixpk= 3601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2114,1781, 298,
igr2=2055,2056,2057,
&end
#
# 135 GLU HN 134 LEU MD1 5.50 (# 3602:20 Unique 5.19, 5.79 A)
&rst
ixpk= 3602, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:3604 116 VAL MG2 5.50 (# 3604:20 Single Ambig)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2046,1604,
igr2=1775,1776,1777,
&end
#
# 106 LYS HN 116 VAL MG2 5.50 (# 3605:20 Unique 4.88, 6.43 A)
&rst
ixpk= 3605, nxpk= 20, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1775,1776,1777,
&end
#
# 0 AMB 20-2:3607 20 LEU QD1 5.50 (# 3607:20 Single Ambig)
&rst
ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2114, 298,
igr2= 288, 289, 290,
&end
#
# 135 GLU HN 20 LEU QD1 5.50 (# 3608:20 Unique 3.04, 3.57 A)
&rst
ixpk= 3608, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 288, 289, 290,
&end
#
# 134 LEU HN 20 LEU QD1 5.50 (# 3609:20 Unique 4.95, 5.26 A)
&rst
ixpk= 3609, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 288, 289, 290,
&end
#
# 45 GLY HN 65 VAL MG1 5.50 (# 3610:20 Unique 2.54, 4.12 A)
&rst
ixpk= 3610, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 44 ASN HN 65 VAL MG1 5.50 (# 3611:20 Unique 2.39, 4.39 A)
&rst
ixpk= 3611, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 46 LYS HN 65 VAL MG1 5.50 (# 3612:20 Unique 3.59, 6.01 A)
&rst
ixpk= 3612, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 0 AMB 20-2:3613 80 VAL MG1 5.50 (# 3613:20 Single Ambig)
&rst
ixpk= 3613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 91,1227,
igr2=1188,1189,1190,
&end
#
# 4 ILE HN 80 VAL MG1 5.50 (# 3614:20 Unique 4.18, 5.27 A)
&rst
ixpk= 3614, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1188,1189,1190,
&end
#
# 103 PHE HN 80 VAL MG1 5.50 (# 3615:20 Unique 3.81, 5.20 A)
&rst
ixpk= 3615, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1188,1189,1190,
&end
#
# 91 ILE HN 39 VAL MG1 5.50 (# 3616:20 Unique 3.11, 4.78 A)
&rst
ixpk= 3616, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 578, 579, 580,
&end
#
# 92 ALA HN 39 VAL MG1 7.00 (# 3618:20 Unique 5.74, 7.10 A)
&rst
ixpk= 3618, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 578, 579, 580,
&end
#
# 0 AMB 20-2:3619 65 VAL MG2 5.50 (# 3619:20 Single Ambig)
&rst
ixpk= 3619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 686, 657,
igr2= 974, 975, 976,
&end
#
# 89 GLN HN 88 LYS QG 5.50 (# 3620:20 Unique 3.29, 4.24 A)
&rst
ixpk= 3620, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1316,1317,
&end
#
# 66 SER HB- 11 THR MG2 5.50 (# 3621:20 Unique 3.43, 4.62 A)
&rst
ixpk= 3621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 984, 985,
igr2= 159, 160, 161,
&end
#
# 85 HIS HA 88 LYS QG 5.50 (# 3622:20 Unique 4.24, 4.92 A)
&rst
ixpk= 3622, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1316,1317,
&end
#
# 66 SER HB+ 11 THR MG2 3.50 (# 3623:20 Unique 3.43, 4.62 A)
&rst
ixpk= 3623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 984, 985,
igr2= 159, 160, 161,
&end
#
# 0 AMB 20-2:3626 116 VAL MG1 5.50 (# 3626:20 Single Ambig)
&rst
ixpk= 3626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1765,2095,
igr2=1771,1772,1773,
&end
#
# 0 AMB 20-2:3627 116 VAL MG1 5.50 (# 3627:20 Single Ambig)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1800,1981,
igr2=1771,1772,1773,
&end
#
# 0 AMB 20-2:3628 0 AMB 20-1:3628 5.50 (# 3628:20 Double Ambig)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2031,1348,
igr2=1771,1772,1773,1316,1317,
&end
#
# 134 LEU HN 116 VAL MG1 5.50 (# 3629:20 Unique 2.98, 3.86 A)
&rst
ixpk= 3629, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1771,1772,1773,
&end
#
# 103 PHE HN 82 ALA MB 5.50 (# 3630:20 Unique 4.59, 5.22 A)
&rst
ixpk= 3630, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1221,1222,1223,
&end
#
# 89 GLN HN 82 ALA MB 5.50 (# 3631:20 Unique 5.56, 6.12 A)
&rst
ixpk= 3631, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1221,1222,1223,
&end
#
# 103 PHE HN 80 VAL MG2 5.50 (# 3632:20 Unique 5.91, 6.41 A)
&rst
ixpk= 3632, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 0 AMB 20-2:3633 80 VAL MG2 7.00 (# 3633:20 Single Ambig)
&rst
ixpk= 3633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1151,1217,
igr2=1192,1193,1194,
&end
#
# 101 LYS HN 80 VAL MG2 7.00 (# 3634:20 Unique 5.19, 6.21 A)
&rst
ixpk= 3634, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1192,1193,1194,
&end
#
# 0 AMB 20-2:3635 80 VAL MG2 5.50 (# 3635:20 Single Ambig)
&rst
ixpk= 3635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1163,1432,1440,
igr2=1192,1193,1194,
&end
#
# 77 ALA HN 80 VAL MG2 5.50 (# 3636:20 Unique 5.60, 6.07 A)
&rst
ixpk= 3636, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 102 VAL HN 80 VAL MG2 5.50 (# 3637:20 Unique 4.95, 5.95 A)
&rst
ixpk= 3637, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 95 PHE QE 80 VAL MG2 7.00 (# 3638:20 Unique 3.73, 7.09 A)
&rst
ixpk= 3638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1434,1438,
igr2=1192,1193,1194,
&end
#
# 0 AMB 20-2:3639 80 VAL MG2 5.50 (# 3639:20 Single Ambig)
&rst
ixpk= 3639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1165,1534,
igr2=1192,1193,1194,
&end
#
# 77 ALA HA 80 VAL MG2 5.50 (# 3640:20 Unique 6.04, 6.70 A)
&rst
ixpk= 3640, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 101 LYS HE- 80 VAL MG2 5.50 (# 3641:20 Unique 2.89, 5.60 A)
&rst
ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1545,1546,
igr2=1192,1193,1194,
&end
#
# 101 LYS HE+ 80 VAL MG2 7.00 (# 3642:20 Unique 2.89, 5.60 A)
&rst
ixpk= 3642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1545,1546,
igr2=1192,1193,1194,
&end
#
# 98 TYR HB- 80 VAL MG2 7.00 (# 3643:20 Unique 6.11, 7.26 A)
&rst
ixpk= 3643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1479,1480,
igr2=1192,1193,1194,
&end
#
# 3 ILE QG2 80 VAL MG2 5.50 (# 3644:20 Unique 5.79, 7.26 A)
&rst
ixpk= 3644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2=1192,1193,1194,
&end
#
# 3 ILE QG2 77 ALA MB 5.50 (# 3645:20 Unique 5.61, 7.27 A)
&rst
ixpk= 3645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2=1145,1146,1147,
&end
#
# 141 LEU HG 142 ALA MB 7.00 (# 3647:20 Unique 6.40, 7.33 A)
&rst
ixpk= 3647, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2197,2198,2199,
&end
#
# 146 LYS HE+ 142 ALA MB 5.50 (# 3648:20 Unique 3.47, 6.23 A)
&rst
ixpk= 3648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2274,2275,
igr2=2197,2198,2199,
&end
#
# 139 ARG HD+ 142 ALA MB 5.50 (# 3649:20 Unique 5.64, 7.45 A)
&rst
ixpk= 3649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2143,2144,
igr2=2197,2198,2199,
&end
#
# 146 LYS HN 142 ALA MB 5.50 (# 3651:20 Unique 4.75, 5.59 A)
&rst
ixpk= 3651, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2197,2198,2199,
&end
#
# 143 LYS HN 142 ALA MB 4.50 (# 3653:20 Unique 2.75, 3.55 A)
&rst
ixpk= 3653, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2197,2198,2199,
&end
#
# 141 LEU HN 142 ALA MB 5.50 (# 3654:20 Unique 4.96, 5.58 A)
&rst
ixpk= 3654, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2197,2198,2199,
&end
#
# 25 ALA HN 142 ALA MB 7.00 (# 3655:20 Unique 5.01, 5.85 A)
&rst
ixpk= 3655, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2197,2198,2199,
&end
#
# 91 ILE QD1 92 ALA MB 5.50 (# 3657:20 Unique 6.03, 7.94 A)
&rst
ixpk= 3657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1380,1381,1382,
igr2=1390,1391,1392,
&end
#
# 3 ILE QG2 4 ILE QG2 5.50 (# 3659:20 Unique 5.78, 7.29 A)
&rst
ixpk= 3659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 39, 40, 41,
igr2= 58, 59, 60,
&end
#
# 3 ILE QG2 79 LEU HB+ 5.50 (# 3660:20 Unique 2.35, 4.26 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 39, 40, 41,
igr2=1167,1168,
&end
#
# 0 AMB 20-2:3677 3 ILE QG2 5.50 (# 3677:20 Single Ambig)
&rst
ixpk= 3677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 520, 91,
igr2= 39, 40, 41,
&end
#
# 0 AMB 20-2:3678 3 ILE QG2 5.50 (# 3678:20 Single Ambig)
&rst
ixpk= 3678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1198,1182,
igr2= 39, 40, 41,
&end
#
# 5 PHE QE 3 ILE QG2 5.50 (# 3679:20 Unique 3.83, 4.87 A)
&rst
ixpk= 3679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 81, 85,
igr2= 39, 40, 41,
&end
#
# 0 AMB 20-2:3680 3 ILE QG2 5.50 (# 3680:20 Single Ambig)
&rst
ixpk= 3680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1163, 314,1668,
igr2= 39, 40, 41,
&end
#
# 5 PHE HA 3 ILE QG2 5.50 (# 3681:20 Unique 3.77, 4.92 A)
&rst
ixpk= 3681, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 39, 40, 41,
&end
#
# 81 LEU HA 3 ILE QG2 7.00 (# 3682:20 Unique 5.25, 5.76 A)
&rst
ixpk= 3682, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 39, 40, 41,
&end
#
# 34 VAL HA 3 ILE QG2 5.50 (# 3683:20 Unique 4.64, 5.32 A)
&rst
ixpk= 3683, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 39, 40, 41,
&end
#
# 80 VAL HA 3 ILE QG2 5.50 (# 3684:20 Unique 3.85, 4.58 A)
&rst
ixpk= 3684, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 39, 40, 41,
&end
#
# 18 GLU HA 3 ILE QG2 7.00 (# 3685:20 Unique 6.41, 7.22 A)
&rst
ixpk= 3685, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 39, 40, 41,
&end
#
# 1 MET HG+ 3 ILE QG2 5.50 (# 3686:20 Unique 5.53, 6.70 A)
&rst
ixpk= 3686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2= 39, 40, 41,
&end
#
# 5 PHE HB+ 3 ILE QG2 5.50 (# 3688:20 Unique 5.08, 6.41 A)
&rst
ixpk= 3688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 75, 76,
igr2= 39, 40, 41,
&end
#
# 0 AMB 20-2:3692 17 ALA MB 5.50 (# 3692:20 Single Ambig)
&rst
ixpk= 3692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 258, 259,2050,2051,
igr2= 248, 249, 250,
&end
#
# 16 MET HB+ 17 ALA MB 5.50 (# 3693:20 Unique 4.01, 5.34 A)
&rst
ixpk= 3693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 231, 232,
igr2= 248, 249, 250,
&end
#
# 0 AMB 20-2:3694 0 AMB 20-1:3694 5.50 (# 3694:20 Double Ambig)
&rst
ixpk= 3694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 188, 189, 302, 303, 530, 531,
igr2= 248, 249, 250, 58, 59, 60,
&end
#
# 0 AMB 20-2:3695 0 AMB 20-1:3695 5.50 (# 3695:20 Double Ambig)
&rst
ixpk= 3695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 188, 189, 530, 531,
igr2= 248, 249, 250, 58, 59, 60,
&end
#
# 80 VAL HA 4 ILE QG2 5.50 (# 3697:20 Unique 4.40, 5.08 A)
&rst
ixpk= 3697, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-2:3698 4 ILE QG2 5.50 (# 3698:20 Single Ambig)
&rst
ixpk= 3698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522,1219,
igr2= 58, 59, 60,
&end
#
# 5 PHE HA 0 AMB 20-1:3699 5.50 (# 3699:20 Single Ambig)
&rst
ixpk= 3699, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 58, 59, 60, 248, 249, 250,
&end
#
# 0 AMB 20-2:3701 0 AMB 20-1:3701 5.50 (# 3701:20 Double Ambig)
&rst
ixpk= 3701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 269, 107,
igr2= 248, 249, 250, 58, 59, 60,
&end
#
# 0 AMB 20-2:3703 17 ALA MB 5.50 (# 3703:20 Single Ambig)
&rst
ixpk= 3703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 298,2114,
igr2= 248, 249, 250,
&end
#
# 3 ILE HN 4 ILE QG2 7.00 (# 3704:20 Unique 6.87, 7.77 A)
&rst
ixpk= 3704, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 58, 59, 60,
&end
#
# 81 LEU HN 4 ILE QG2 5.50 (# 3705:20 Unique 4.27, 5.29 A)
&rst
ixpk= 3705, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 58, 59, 60,
&end
#
# 0 AMB 20-2:3706 0 AMB 20-1:3706 5.50 (# 3706:20 Double Ambig)
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1086,1202,1203,2118,2119,
igr2= 58, 59, 60, 248, 249, 250,
&end
#
# 0 AMB 20-2:3707 77 ALA MB 5.50 (# 3707:20 Single Ambig)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 527, 528, 524, 525,
igr2=1145,1146,1147,
&end
#
# 35 ARG HB+ 77 ALA MB 5.50 (# 3708:20 Unique 4.77, 6.50 A)
&rst
ixpk= 3708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 524, 525,
igr2=1145,1146,1147,
&end
#
# 33 ASN HB+ 77 ALA MB 5.50 (# 3710:20 Unique 6.56, 7.97 A)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 494, 495,
igr2=1145,1146,1147,
&end
#
# 101 LYS HE- 77 ALA MB 5.50 (# 3711:20 Unique 3.71, 6.66 A)
&rst
ixpk= 3711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1545,1546,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:3712 91 ILE QG2 5.50 (# 3712:20 Single Ambig)
&rst
ixpk= 3712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1428,1429,1479,1480,
igr2=1373,1374,1375,
&end
#
# 0 AMB 20-2:3713 77 ALA MB 5.50 (# 3713:20 Single Ambig)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 530, 531,1545,1546,
igr2=1145,1146,1147,
&end
#
# 75 GLU HA 77 ALA MB 5.50 (# 3714:20 Unique 5.08, 6.34 A)
&rst
ixpk= 3714, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 80 VAL HA 77 ALA MB 5.50 (# 3716:20 Unique 5.01, 5.50 A)
&rst
ixpk= 3716, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 79 LEU HA 77 ALA MB 5.50 (# 3717:20 Unique 5.26, 6.07 A)
&rst
ixpk= 3717, nxpk= 20, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 2 ASP HA 77 ALA MB 7.00 (# 3718:20 Unique 4.80, 5.82 A)
&rst
ixpk= 3718, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:3719 77 ALA MB 5.50 (# 3719:20 Single Ambig)
&rst
ixpk= 3719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1098,1079,
igr2=1145,1146,1147,
&end
#
# 77 ALA HN 77 ALA MB 3.50 (# 3720:20 Unique 2.45, 2.92 A)
&rst
ixpk= 3720, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1145,1146,1147,
&end
#
# 0 AMB 20-2:3721 77 ALA MB 5.50 (# 3721:20 Single Ambig)
&rst
ixpk= 3721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1182,1198,
igr2=1145,1146,1147,
&end
#
# 80 VAL HB 77 ALA MB 5.50 (# 3722:20 Unique 6.07, 6.76 A)
&rst
ixpk= 3722, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1145,1146,1147,
&end
#
# 91 ILE HB 82 ALA MB 4.50 (# 3723:20 Unique 4.62, 5.37 A)
&rst
ixpk= 3723, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1221,1222,1223,
&end
#
# 0 AMB 20-2:3724 82 ALA MB 5.50 (# 3724:20 Single Ambig)
&rst
ixpk= 3724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1377,1378,1186,1352,
igr2=1221,1222,1223,
&end
#
# 83 MET HB+ 82 ALA MB 5.50 (# 3725:20 Unique 5.01, 6.41 A)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1231,1232,
igr2=1221,1222,1223,
&end
#
# 85 HIS HA 82 ALA MB 5.50 (# 3726:20 Unique 4.31, 5.41 A)
&rst
ixpk= 3726, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1221,1222,1223,
&end
#
# 140 GLN HB+ 110 THR MG2 5.50 (# 3727:20 Unique 4.64, 6.13 A)
&rst
ixpk= 3727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2161,2162,
igr2=1703,1704,1705,
&end
#
# 0 AMB 20-2:3729 110 THR MG2 5.50 (# 3729:20 Single Ambig)
&rst
ixpk= 3729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1636,1637,2164,2165,
igr2=1703,1704,1705,
&end
#
# 106 LYS HE+ 110 THR MG2 5.50 (# 3730:20 Unique 4.65, 6.35 A)
&rst
ixpk= 3730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1636,1637,
igr2=1703,1704,1705,
&end
#
# 112 SER HB+ 110 THR MG2 5.50 (# 3731:20 Unique 5.06, 7.10 A)
&rst
ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1722,1723,
igr2=1703,1704,1705,
&end
#
# 110 THR HA 110 THR MG2 3.00 (# 3732:20 Unique 2.35, 3.01 A)
&rst
ixpk= 3732, nxpk= 20, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1703,1704,1705,
&end
#
# 140 GLN HE2- 110 THR MG2 7.00 (# 3733:20 Unique 2.58, 4.21 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2169,2170,
igr2=1703,1704,1705,
&end
#
# 112 SER HN 110 THR MG2 5.50 (# 3734:20 Unique 5.18, 5.87 A)
&rst
ixpk= 3734, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1703,1704,1705,
&end
#
# 119 PRO HA 130 THR MG2 5.50 (# 3736:20 Unique 4.94, 6.17 A)
&rst
ixpk= 3736, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1987,1988,1989,
&end
#
# 118 ASP HA 130 THR MG2 7.00 (# 3737:20 Unique 4.31, 5.52 A)
&rst
ixpk= 3737, nxpk= 20, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1987,1988,1989,
&end
#
# 110 THR HN 110 THR MG2 4.50 (# 3738:20 Unique 2.80, 3.86 A)
&rst
ixpk= 3738, nxpk= 20, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1703,1704,1705,
&end
#
# 134 LEU HN 130 THR MG2 5.50 (# 3739:20 Unique 4.24, 5.07 A)
&rst
ixpk= 3739, nxpk= 20, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1987,1988,1989,
&end
#
# 69 LEU MD1 70 THR MG2 5.50 (# 3740:20 Unique 5.42, 7.10 A)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1025,1026,1027,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:3741 70 THR MG2 7.00 (# 3741:20 Single Ambig)
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1003,1004,1051,
igr2=1041,1042,1043,
&end
#
# 70 THR HB 70 THR MG2 3.00 (# 3743:20 Unique 2.44, 2.67 A)
&rst
ixpk= 3743, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1041,1042,1043,
&end
#
# 95 PHE HD2 70 THR MG2 5.50 (# 3744:20 Unique 5.99, 6.94 A)
&rst
ixpk= 3744, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 0 AMB 20-2:3746 0 AMB 20-1:3746 5.50 (# 3746:20 Double Ambig)
&rst
ixpk= 3746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2193, 91, 520,
igr2=1687,1688,1689, 559, 560, 561,
&end
#
# 144 GLN HE2+ 141 LEU MD1 5.50 (# 3747:20 Unique 3.63, 6.90 A)
&rst
ixpk= 3747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=2183,2184,2185,
&end
#
# 0 AMB 20-2:3748 141 LEU MD1 5.50 (# 3748:20 Single Ambig)
&rst
ixpk= 3748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 81, 85, 308, 312,
igr2=2183,2184,2185,
&end
#
# 108 TYR HD2 141 LEU MD1 5.50 (# 3749:20 Unique 2.41, 3.39 A)
&rst
ixpk= 3749, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2183,2184,2185,
&end
#
# 144 GLN HE2- 141 LEU MD1 5.50 (# 3750:20 Unique 3.63, 6.90 A)
&rst
ixpk= 3750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,
igr2=2183,2184,2185,
&end
#
# 37 ALA HA 6 VAL MG2 5.50 (# 3751:20 Unique 4.91, 6.22 A)
&rst
ixpk= 3751, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 101, 102, 103,
&end
#
# 0 AMB 20-2:3755 0 AMB 20-1:3755 4.50 (# 3755:20 Double Ambig)
&rst
ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1296,1297,1664,1665,
igr2= 101, 102, 103,2183,2184,2185,
&end
#
# 3 ILE QG2 105 LEU MD1 7.00 (# 3757:20 Unique 6.44, 7.80 A)
&rst
ixpk= 3757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 39, 40, 41,
igr2=1613,1614,1615,
&end
#
# 81 LEU HB+ 79 LEU MD1 5.50 (# 3758:20 Unique 5.03, 6.62 A)
&rst
ixpk= 3758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1202,1203,
igr2=1172,1173,1174,
&end
#
# 103 PHE HB- 79 LEU MD1 5.50 (# 3759:20 Unique 3.25, 5.22 A)
&rst
ixpk= 3759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1574,1575,
igr2=1172,1173,1174,
&end
#
# 106 LYS HE+ 109 VAL MG2 5.50 (# 3761:20 Unique 6.09, 7.50 A)
&rst
ixpk= 3761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1636,1637,
igr2=1691,1692,1693,
&end
#
# 21 PHE HB- 20 LEU QD1 5.50 (# 3762:20 Unique 6.01, 7.69 A)
&rst
ixpk= 3762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 303,
igr2= 288, 289, 290,
&end
#
# 131 ARG HB+ 20 LEU QD1 5.50 (# 3763:20 Unique 2.88, 4.68 A)
&rst
ixpk= 3763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1999,2000,
igr2= 288, 289, 290,
&end
#
# 0 AMB 20-2:3764 69 LEU MD1 5.50 (# 3764:20 Single Ambig)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 555, 565,
igr2=1025,1026,1027,
&end
#
# 17 ALA HA 134 LEU MD1 5.50 (# 3765:20 Unique 2.99, 4.32 A)
&rst
ixpk= 3765, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:3766 134 LEU MD1 5.50 (# 3766:20 Single Ambig)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1997,2067,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:3767 134 LEU MD1 5.50 (# 3767:20 Single Ambig)
&rst
ixpk= 3767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1767,2097,2033,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:3768 134 LEU MD1 7.00 (# 3768:20 Single Ambig)
&rst
ixpk= 3768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 79, 87, 227,
igr2=2055,2056,2057,
&end
#
# 0 AMB 20-2:3769 134 LEU MD1 5.50 (# 3769:20 Single Ambig)
&rst
ixpk= 3769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2095,1765,
igr2=2055,2056,2057,
&end
#
# 108 TYR HB+ 105 LEU MD1 5.50 (# 3770:20 Unique 3.72, 5.76 A)
&rst
ixpk= 3770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1664,1665,
igr2=1613,1614,1615,
&end
#
# 141 LEU HB+ 105 LEU MD1 5.50 (# 3771:20 Unique 4.88, 6.88 A)
&rst
ixpk= 3771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2178,2179,
igr2=1613,1614,1615,
&end
#
# 134 LEU HA 105 LEU MD1 5.50 (# 3772:20 Unique 5.30, 6.63 A)
&rst
ixpk= 3772, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1613,1614,1615,
&end
#
# 105 LEU HA 105 LEU MD1 3.50 (# 3773:20 Unique 2.17, 2.91 A)
&rst
ixpk= 3773, nxpk= 20, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1613,1614,1615,
&end
#
# 0 AMB 20-2:3776 0 AMB 20-1:3776 5.50 (# 3776:20 Double Ambig)
&rst
ixpk= 3776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1534,1165,
igr2=1539,1540,1539,1540,
&end
#
# 101 LYS HE- 101 LYS HG+ 5.50 (# 3777:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1539,1540,
&end
#
# 101 LYS HE+ 101 LYS HG+ 4.50 (# 3778:20 Unique 2.39, 2.97 A)
&rst
ixpk= 3778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1545,1546,
igr2=1539,1540,
&end
#
# 80 VAL MG2 101 LYS HG+ 5.50 (# 3779:20 Unique 2.37, 4.95 A)
&rst
ixpk= 3779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1539,1540,
&end
#
# 102 VAL MG2 101 LYS HG+ 4.50 (# 3780:20 Unique 3.39, 6.03 A)
&rst
ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1564,1565,1566,
igr2=1539,1540,
&end
#
# 101 LYS HB+ 101 LYS HG+ 3.50 (# 3781:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1536,1537,
igr2=1539,1540,
&end
#
# 24 ILE HG1+ 139 ARG HG+ 5.50 (# 3782:20 Unique 3.11, 5.26 A)
&rst
ixpk= 3782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 361, 362,
igr2=2140,2141,
&end
#
# 139 ARG HN 139 ARG HG+ 5.50 (# 3783:20 Unique 2.56, 3.84 A)
&rst
ixpk= 3783, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2140,2141,
&end
#
# 0 AMB 20-2:3784 0 AMB 20-1:3784 5.50 (# 3784:20 Double Ambig)
&rst
ixpk= 3784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2143,2144,2005,2006,
igr2=2213,2214,1952,1953,
&end
#
# 148 ASP HA 147 LYS HD+ 7.00 (# 3786:20 Unique 5.97, 7.18 A)
&rst
ixpk= 3786, nxpk= 20, iat=2307, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2293,2294,
&end
#
# 147 LYS HN 0 AMB 20-1:3787 5.50 (# 3787:20 Single Ambig)
&rst
ixpk= 3787, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2293,2294,2213,2214,
&end
#
# 0 AMB 20-2:3788 0 AMB 20-1:3788 5.50 (# 3788:20 Double Ambig)
&rst
ixpk= 3788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2225,2031,
igr2=2213,2214,2293,2294,1952,1953,
&end
#
# 71 GLU HA 74 MET HB- 5.50 (# 3789:20 Unique 2.16, 3.05 A)
&rst
ixpk= 3789, nxpk= 20, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1102,1103,
&end
#
# 74 MET HA 74 MET HB- 5.50 (# 3790:20 Unique 2.19, 2.54 A)
&rst
ixpk= 3790, nxpk= 20, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1102,1103,
&end
#
# 74 MET HN 74 MET HB- 5.50 (# 3791:20 Unique 2.03, 2.61 A)
&rst
ixpk= 3791, nxpk= 20, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1102,1103,
&end
#
# 75 GLU HN 74 MET HB- 7.00 (# 3792:20 Unique 2.93, 3.74 A)
&rst
ixpk= 3792, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1102,1103,
&end
#
# 134 LEU HB+ 134 LEU HG 5.50 (# 3794:20 Unique 2.46, 2.77 A)
&rst
ixpk= 3794, nxpk= 20, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2050,2051,
&end
#
# 134 LEU HA 134 LEU HG 5.50 (# 3795:20 Unique 2.96, 3.04 A)
&rst
ixpk= 3795, nxpk= 20, iat=2048,2053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HN 134 LEU HG 7.00 (# 3796:20 Unique 4.49, 4.52 A)
&rst
ixpk= 3796, nxpk= 20, iat=2046,2053, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:3797 4 ILE HG1- 5.50 (# 3797:20 Single Ambig)
&rst
ixpk= 3797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 527, 528, 524, 525,
igr2= 62, 63,
&end
#
# 4 ILE HN 4 ILE HG1- 5.50 (# 3798:20 Unique 2.47, 3.41 A)
&rst
ixpk= 3798, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 62, 63,
&end
#
# 5 PHE HN 4 ILE HG1- 5.50 (# 3799:20 Unique 4.65, 4.96 A)
&rst
ixpk= 3799, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 62, 63,
&end
#
# 1 MET HE 79 LEU HG 5.50 (# 3801:20 Unique 4.51, 5.26 A)
&rst
ixpk= 3801, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 15, 16, 17,
&end
#
# 79 LEU HA 79 LEU HG 5.50 (# 3802:20 Unique 2.77, 3.01 A)
&rst
ixpk= 3802, nxpk= 20, iat=1165,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3803 79 LEU HG 5.50 (# 3803:20 Single Ambig)
&rst
ixpk= 3803, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1580,1584,
&end
#
# 80 VAL HN 79 LEU HG 5.50 (# 3804:20 Unique 2.24, 2.59 A)
&rst
ixpk= 3804, nxpk= 20, iat=1182,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU MD1 0 AMB 20-1:3806 5.50 (# 3806:20 Single Ambig)
&rst
ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1207,1208,1209,
igr2=2102,2249,
&end
#
# 141 LEU HG 0 AMB 20-1:3807 7.00 (# 3807:20 Single Ambig)
&rst
ixpk= 3807, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2249,2102,
&end
#
# 79 LEU MD2 145 LEU HG 5.50 (# 3808:20 Unique 5.09, 5.83 A)
&rst
ixpk= 3808, nxpk= 20, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1176,1177,1178,
&end
#
# 109 VAL MG1 137 LEU HG 4.50 (# 3809:20 Unique 2.50, 3.93 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1687,1688,1689,
&end
#
# 139 ARG HN 137 LEU HG 5.50 (# 3810:20 Unique 5.53, 5.54 A)
&rst
ixpk= 3810, nxpk= 20, iat=2133,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 HIS HB+ 62 LEU HG 5.50 (# 3812:20 Unique 4.11, 4.58 A)
&rst
ixpk= 3812, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 951, 952,
&end
#
# 64 HIS HB- 62 LEU HG 5.50 (# 3813:20 Unique 4.11, 4.58 A)
&rst
ixpk= 3813, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 951, 952,
&end
#
# 148 ASP HB- 150 ARG HG+ 5.50 (# 3814:20 Unique 2.34, 6.22 A)
&rst
ixpk= 3814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2309,2310,
igr2=2348,2349,
&end
#
# 148 ASP HB+ 150 ARG HG+ 5.50 (# 3815:20 Unique 2.34, 6.22 A)
&rst
ixpk= 3815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2309,2310,
igr2=2348,2349,
&end
#
# 62 LEU HN 62 LEU HG 5.50 (# 3818:20 Unique 4.26, 4.39 A)
&rst
ixpk= 3818, nxpk= 20, iat= 914, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3820 0 AMB 20-1:3820 7.00 (# 3820:20 Double Ambig)
&rst
ixpk= 3820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 188, 189, 302, 303,
igr2=1611, 286,
&end
#
# 0 AMB 20-2:3827 30 LEU HG 4.50 (# 3827:20 Single Ambig)
&rst
ixpk= 3827, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 423, 424, 426, 427,
&end
#
# 35 ARG HD+ 35 ARG HG+ 3.50 (# 3830:20 Unique 2.37, 2.68 A)
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531,
igr2= 527, 528,
&end
#
# 73 LEU MD2 35 ARG HG+ 3.50 (# 3832:20 Unique 3.02, 5.31 A)
&rst
ixpk= 3832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1092,1093,1094,
igr2= 527, 528,
&end
#
# 43 PRO HB+ 68 PRO HG+ 5.50 (# 3833:20 Unique 5.79, 6.81 A)
&rst
ixpk= 3833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 636, 637,
igr2=1006,1007,
&end
#
# 67 SER HB- 68 PRO HG+ 4.50 (# 3834:20 Unique 3.82, 5.18 A)
&rst
ixpk= 3834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 995, 996,
igr2=1006,1007,
&end
#
# 1 MET HE 3 ILE HG1- 4.50 (# 3835:20 Unique 2.19, 4.07 A)
&rst
ixpk= 3835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 15, 16, 17,
igr2= 43, 44,
&end
#
# 1 MET HG+ 3 ILE HG1- 5.50 (# 3836:20 Unique 2.26, 3.53 A)
&rst
ixpk= 3836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 43, 44,
&end
#
# 15 PRO HD- 15 PRO HG- 5.50 (# 3837:20 Unique 2.31, 2.60 A)
&rst
ixpk= 3837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 214, 215,
igr2= 217, 218,
&end
#
# 15 PRO HD+ 15 PRO HG- 5.50 (# 3838:20 Unique 2.31, 2.60 A)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 214, 215,
igr2= 217, 218,
&end
#
# 15 PRO HA 15 PRO HG- 5.50 (# 3839:20 Unique 2.84, 3.84 A)
&rst
ixpk= 3839, nxpk= 20, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 217, 218,
&end
#
# 11 THR HA 15 PRO HG- 5.50 (# 3840:20 Unique 2.22, 3.01 A)
&rst
ixpk= 3840, nxpk= 20, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 217, 218,
&end
#
# 16 MET HN 15 PRO HG- 5.50 (# 3841:20 Unique 2.65, 3.72 A)
&rst
ixpk= 3841, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 217, 218,
&end
#
# 3 ILE HN 3 ILE HG1- 5.50 (# 3842:20 Unique 2.34, 3.08 A)
&rst
ixpk= 3842, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 43, 44,
&end
#
# 4 ILE HG1- 35 ARG HG+ 5.50 (# 3848:20 Unique 2.23, 4.20 A)
&rst
ixpk= 3848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 62, 63,
igr2= 527, 528,
&end
#
# 24 ILE HA 27 ARG HG+ 5.50 (# 3850:20 Unique 2.13, 3.04 A)
&rst
ixpk= 3850, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 402, 403,
&end
#
# 24 ILE HA 27 ARG HG- 5.50 (# 3851:20 Unique 2.13, 3.04 A)
&rst
ixpk= 3851, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:3853 0 AMB 20-1:3853 5.50 (# 3853:20 Double Ambig)
&rst
ixpk= 3853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 421, 342,
igr2= 402, 403, 402, 403,
&end
#
# 0 AMB 20-2:3854 27 ARG HG- 5.50 (# 3854:20 Single Ambig)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 421, 342,
igr2= 402, 403,
&end
#
# 28 GLU HN 27 ARG HG+ 5.50 (# 3855:20 Unique 2.62, 3.92 A)
&rst
ixpk= 3855, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 402, 403,
&end
#
# 28 GLU HN 27 ARG HG- 5.50 (# 3856:20 Unique 2.62, 3.92 A)
&rst
ixpk= 3856, nxpk= 20, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 402, 403,
&end
#
# 94 GLN HE2+ 69 LEU HG 5.50 (# 3859:20 Unique 2.52, 2.93 A)
&rst
ixpk= 3859, nxpk= 20, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1419,1420,
&end
#
# 100 ASP HN 97 ARG HG+ 5.50 (# 3860:20 Unique 4.24, 5.35 A)
&rst
ixpk= 3860, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458,1459,
&end
#
# 21 PHE QD 145 LEU HG 7.00 (# 3865:20 Unique 5.79, 6.93 A)
&rst
ixpk= 3865, nxpk= 20, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 306, 314,
&end
#
# 68 PRO HD- 68 PRO HG+ 3.50 (# 3866:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1003,1004,
igr2=1006,1007,
&end
#
# 82 ALA HN 81 LEU MD1 7.00 (# 3869:20 Unique 5.84, 6.12 A)
&rst
ixpk= 3869, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1207,1208,1209,
&end
#
# 106 LYS HN 105 LEU HG 5.50 (# 3870:20 Unique 3.48, 3.81 A)
&rst
ixpk= 3870, nxpk= 20, iat=1623,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3872 0 AMB 20-1:3872 5.50 (# 3872:20 Double Ambig)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 244,1645,1697,
igr2= 286,1611,
&end
#
# 0 AMB 20-2:3874 30 LEU HG 5.50 (# 3874:20 Single Ambig)
&rst
ixpk= 3874, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 434,2283,
&end
#
# 90 ILE QD1 86 GLN HB+ 5.50 (# 3877:20 Unique 4.41, 5.58 A)
&rst
ixpk= 3877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1361,1362,1363,
igr2=1279,1280,
&end
#
# 90 ILE QD1 86 GLN HB- 5.50 (# 3878:20 Unique 4.41, 5.58 A)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1361,1362,1363,
igr2=1279,1280,
&end
#
# 0 AMB 20-2:3880 86 GLN HB- 5.50 (# 3880:20 Single Ambig)
&rst
ixpk= 3880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1250,1251,1252,1358,1359,
igr2=1279,1280,
&end
#
# 84 THR HB 86 GLN HB+ 5.50 (# 3881:20 Unique 2.77, 4.07 A)
&rst
ixpk= 3881, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1279,1280,
&end
#
# 84 THR HB 86 GLN HB- 5.50 (# 3882:20 Unique 2.77, 4.07 A)
&rst
ixpk= 3882, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1279,1280,
&end
#
# 87 HIS HN 86 GLN HB+ 5.50 (# 3883:20 Unique 2.61, 3.35 A)
&rst
ixpk= 3883, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1279,1280,
&end
#
# 87 HIS HN 86 GLN HB- 5.50 (# 3884:20 Unique 2.61, 3.35 A)
&rst
ixpk= 3884, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1279,1280,
&end
#
# 86 GLN HN 86 GLN HB+ 5.50 (# 3885:20 Unique 2.45, 2.55 A)
&rst
ixpk= 3885, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1279,1280,
&end
#
# 86 GLN HN 86 GLN HB- 5.50 (# 3886:20 Unique 2.45, 2.55 A)
&rst
ixpk= 3886, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1279,1280,
&end
#
# 0 AMB 20-2:3887 0 AMB 20-1:3887 5.50 (# 3887:20 Double Ambig)
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 220, 221, 927, 928, 929,
igr2= 217, 218, 217, 218,
&end
#
# 15 PRO HD- 15 PRO HG+ 5.50 (# 3888:20 Unique 2.31, 2.60 A)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 214, 215,
igr2= 217, 218,
&end
#
# 15 PRO HD+ 15 PRO HG+ 5.50 (# 3889:20 Unique 2.31, 2.60 A)
&rst
ixpk= 3889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 214, 215,
igr2= 217, 218,
&end
#
# 15 PRO HA 15 PRO HG+ 5.50 (# 3890:20 Unique 2.84, 3.84 A)
&rst
ixpk= 3890, nxpk= 20, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 217, 218,
&end
#
# 11 THR HA 15 PRO HG+ 5.50 (# 3891:20 Unique 2.22, 3.01 A)
&rst
ixpk= 3891, nxpk= 20, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 217, 218,
&end
#
# 140 GLN HN 139 ARG HB+ 5.50 (# 3892:20 Unique 2.61, 3.22 A)
&rst
ixpk= 3892, nxpk= 20, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2137,2138,
&end
#
# 112 SER HA 113 HIS HB- 5.00 (# 3894:20 Unique 4.65, 5.20 A)
&rst
ixpk= 3894, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1733,1734,
&end
#
# 112 SER HA 113 HIS HB+ 5.00 (# 3895:20 Unique 4.65, 5.20 A)
&rst
ixpk= 3895, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1733,1734,
&end
#
# 113 HIS HD2 113 HIS HB+ 3.00 (# 3896:20 Unique 2.57, 3.06 A)
&rst
ixpk= 3896, nxpk= 20, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1733,1734,
&end
#
# 113 HIS HD2 113 HIS HB- 3.00 (# 3897:20 Unique 2.57, 3.06 A)
&rst
ixpk= 3897, nxpk= 20, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1733,1734,
&end
#
# 113 HIS HN 113 HIS HB+ 3.70 (# 3898:20 Unique 2.49, 3.08 A)
&rst
ixpk= 3898, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1733,1734,
&end
#
# 113 HIS HN 113 HIS HB- 3.70 (# 3899:20 Unique 2.49, 3.08 A)
&rst
ixpk= 3899, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1733,1734,
&end
#
# 6 VAL MG2 87 HIS HB+ 5.50 (# 3900:20 Unique 3.19, 5.28 A)
&rst
ixpk= 3900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 101, 102, 103,
igr2=1296,1297,
&end
#
# 91 ILE QD1 87 HIS HB+ 5.50 (# 3901:20 Unique 2.93, 4.45 A)
&rst
ixpk= 3901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1380,1381,1382,
igr2=1296,1297,
&end
#
# 91 ILE QD1 87 HIS HB- 7.00 (# 3902:20 Unique 2.93, 4.45 A)
&rst
ixpk= 3902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1380,1381,1382,
igr2=1296,1297,
&end
#
# 0 AMB 20-2:3903 87 HIS HB- 7.00 (# 3903:20 Single Ambig)
&rst
ixpk= 3903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 101, 102, 103,1361,1362,1363,
igr2=1296,1297,
&end
#
# 0 AMB 20-2:3904 0 AMB 20-1:3904 5.50 (# 3904:20 Double Ambig)
&rst
ixpk= 3904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1377,1378,1279,1280,1352,
igr2=1296,1297,1296,1297,1296,1297,
&end
#
# 87 HIS HA 87 HIS HB+ 5.50 (# 3907:20 Unique 2.41, 2.76 A)
&rst
ixpk= 3907, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 87 HIS HA 87 HIS HB- 5.50 (# 3908:20 Unique 2.41, 2.76 A)
&rst
ixpk= 3908, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 88 LYS HN 87 HIS HB- 5.50 (# 3910:20 Unique 2.46, 3.14 A)
&rst
ixpk= 3910, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 87 HIS HN 87 HIS HB- 5.50 (# 3911:20 Unique 2.36, 3.05 A)
&rst
ixpk= 3911, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 88 LYS HN 87 HIS HB+ 5.50 (# 3912:20 Unique 2.46, 3.14 A)
&rst
ixpk= 3912, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 87 HIS HN 87 HIS HB+ 5.50 (# 3913:20 Unique 2.36, 3.05 A)
&rst
ixpk= 3913, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 84 THR HN 87 HIS HB+ 5.50 (# 3914:20 Unique 2.10, 3.07 A)
&rst
ixpk= 3914, nxpk= 20, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 84 THR HN 87 HIS HB- 5.50 (# 3915:20 Unique 2.10, 3.07 A)
&rst
ixpk= 3915, nxpk= 20, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1296,1297,
&end
#
# 139 ARG HN 135 GLU HG+ 5.50 (# 3916:20 Unique 4.03, 4.75 A)
&rst
ixpk= 3916, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2072,2073,
&end
#
# 137 LEU HN 135 GLU HG+ 7.00 (# 3917:20 Unique 5.60, 6.06 A)
&rst
ixpk= 3917, nxpk= 20, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2072,2073,
&end
#
# 75 GLU HB- 71 GLU HG+ 5.50 (# 3918:20 Unique 3.90, 5.49 A)
&rst
ixpk= 3918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1119,1120,
igr2=1056,1057,
&end
#
# 74 MET HE 71 GLU HG+ 5.50 (# 3919:20 Unique 4.99, 6.62 A)
&rst
ixpk= 3919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1109,1110,1111,
igr2=1056,1057,
&end
#
# 69 LEU HG 71 GLU HG+ 7.00 (# 3921:20 Unique 7.09, 7.73 A)
&rst
ixpk= 3921, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1056,1057,
&end
#
# 74 MET HG- 71 GLU HG- 5.50 (# 3922:20 Unique 2.86, 3.54 A)
&rst
ixpk= 3922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1105,1106,
igr2=1056,1057,
&end
#
# 124 ILE QD1 57 GLU HG- 5.50 (# 3926:20 Unique 3.66, 7.04 A)
&rst
ixpk= 3926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1884,1885,1886,
igr2= 838, 839,
&end
#
# 58 LYS HB- 57 GLU HG- 7.00 (# 3928:20 Unique 5.09, 6.69 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 850, 851,
igr2= 838, 839,
&end
#
# 57 GLU HB- 57 GLU HG- 3.00 (# 3930:20 Unique 2.34, 2.72 A)
&rst
ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 836,
igr2= 838, 839,
&end
#
# 57 GLU HA 57 GLU HG- 3.50 (# 3931:20 Unique 2.40, 2.87 A)
&rst
ixpk= 3931, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 838, 839,
&end
#
# 104 THR HN 107 GLU HG- 5.50 (# 3933:20 Unique 3.45, 3.96 A)
&rst
ixpk= 3933, nxpk= 20, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1652,1653,
&end
#
# 0 AMB 20-2:3934 0 AMB 20-1:3934 5.50 (# 3934:20 Double Ambig)
&rst
ixpk= 3934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1574,1575, 815, 816,
igr2=1652,1653, 774, 775,
&end
#
# 0 AMB 20-2:3935 0 AMB 20-1:3935 4.50 (# 3935:20 Double Ambig)
&rst
ixpk= 3935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1102,1103, 757, 758, 759,
igr2=1122,1123, 774, 775,
&end
#
# 35 ARG HG- 35 ARG HB- 4.50 (# 3936:20 Unique 2.19, 2.66 A)
&rst
ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528,
igr2= 524, 525,
&end
#
# 46 LYS HN 46 LYS HB- 5.50 (# 3938:20 Unique 2.66, 3.60 A)
&rst
ixpk= 3938, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 47 ALA HN 46 LYS HB- 5.50 (# 3939:20 Unique 2.18, 3.20 A)
&rst
ixpk= 3939, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 668, 669,
&end
#
# 21 PHE HD2 32 VAL HB 7.00 (# 3941:20 Unique 4.37, 4.56 A)
&rst
ixpk= 3941, nxpk= 20, iat= 314, 478, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 PHE QD 32 VAL HB 5.50 (# 3942:20 Unique 4.37, 6.42 A)
&rst
ixpk= 3942, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 314,
&end
#
# 141 LEU HN 140 GLN HG- 5.50 (# 3943:20 Unique 4.51, 4.84 A)
&rst
ixpk= 3943, nxpk= 20, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2164,2165,
&end
#
# 140 GLN HE2- 140 GLN HG- 5.50 (# 3944:20 Unique 2.33, 3.46 A)
&rst
ixpk= 3944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2169,2170,
igr2=2164,2165,
&end
#
# 86 GLN HE2- 86 GLN HG+ 5.50 (# 3946:20 Unique 2.24, 3.39 A)
&rst
ixpk= 3946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1282,1283,
&end
#
# 86 GLN HE2+ 86 GLN HG+ 5.50 (# 3947:20 Unique 2.24, 3.39 A)
&rst
ixpk= 3947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1282,1283,
&end
#
# 90 ILE HN 0 AMB 20-1:3948 5.50 (# 3948:20 Single Ambig)
&rst
ixpk= 3948, nxpk= 20, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1282,1283,1338,1339,
&end
#
# 0 AMB 20-2:3949 0 AMB 20-1:3949 5.50 (# 3949:20 Double Ambig)
&rst
ixpk= 3949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1309,1396,
igr2=1338,1339,1282,1283,
&end
#
# 89 GLN HE2+ 89 GLN HG- 5.50 (# 3950:20 Unique 2.30, 3.43 A)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1343,1344,
igr2=1338,1339,
&end
#
# 86 GLN HE2- 86 GLN HG- 5.50 (# 3952:20 Unique 2.24, 3.39 A)
&rst
ixpk= 3952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1282,1283,
&end
#
# 87 HIS HA 86 GLN HG- 5.50 (# 3953:20 Unique 3.57, 4.55 A)
&rst
ixpk= 3953, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1282,1283,
&end
#
# 0 AMB 20-2:3954 89 GLN HG- 7.00 (# 3954:20 Single Ambig)
&rst
ixpk= 3954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1350,1388,
igr2=1338,1339,
&end
#
# 0 AMB 20-2:3955 89 GLN HG- 5.50 (# 3955:20 Single Ambig)
&rst
ixpk= 3955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1313,1314,1390,1391,1392,
igr2=1338,1339,
&end
#
# 90 ILE HG1+ 86 GLN HG- 5.50 (# 3956:20 Unique 2.99, 4.27 A)
&rst
ixpk= 3956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1358,1359,
igr2=1282,1283,
&end
#
# 88 LYS QG 89 GLN HG- 5.50 (# 3957:20 Unique 3.12, 5.37 A)
&rst
ixpk= 3957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1316,1317,
igr2=1338,1339,
&end
#
# 88 LYS QD 89 GLN HG- 5.50 (# 3960:20 Unique 3.70, 6.23 A)
&rst
ixpk= 3960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1319,1320,
igr2=1338,1339,
&end
#
# 87 HIS HD2 86 GLN HG- 7.00 (# 3961:20 Unique 2.80, 6.46 A)
&rst
ixpk= 3961, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1282,1283,
&end
#
# 86 GLN HE2- 86 GLN HG- 5.50 (# 3962:20 Unique 2.24, 3.39 A)
&rst
ixpk= 3962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1282,1283,
&end
#
# 86 GLN HE2+ 86 GLN HG- 5.50 (# 3963:20 Unique 2.24, 3.39 A)
&rst
ixpk= 3963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1282,1283,
&end
#
# 86 GLN HN 0 AMB 20-1:3964 5.50 (# 3964:20 Single Ambig)
&rst
ixpk= 3964, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1282,1283,1338,1339,
&end
#
# 95 PHE HN 94 GLN HG+ 5.50 (# 3965:20 Unique 2.38, 2.81 A)
&rst
ixpk= 3965, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 95 PHE HD2 94 GLN HG+ 7.00 (# 3966:20 Unique 2.89, 3.82 A)
&rst
ixpk= 3966, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1414,1415,
&end
#
# 94 GLN HE2- 94 GLN HG+ 5.50 (# 3967:20 Unique 2.21, 3.21 A)
&rst
ixpk= 3967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1414,1415,
&end
#
# 93 SER HN 94 GLN HG+ 5.50 (# 3968:20 Unique 4.35, 4.89 A)
&rst
ixpk= 3968, nxpk= 20, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 94 GLN HB- 94 GLN HG+ 3.00 (# 3969:20 Unique 2.39, 2.75 A)
&rst
ixpk= 3969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1411,1412,
igr2=1414,1415,
&end
#
# 69 LEU HG 94 GLN HG+ 5.50 (# 3970:20 Unique 4.91, 5.36 A)
&rst
ixpk= 3970, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 39 VAL MG2 94 GLN HG+ 5.50 (# 3971:20 Unique 4.56, 7.35 A)
&rst
ixpk= 3971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 582, 583, 584,
igr2=1414,1415,
&end
#
# 0 AMB 20-2:3972 0 AMB 20-1:3972 5.50 (# 3972:20 Double Ambig)
&rst
ixpk= 3972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1182,1520,
igr2=1536,1537,1536,1537,
&end
#
# 0 AMB 20-2:3973 0 AMB 20-1:3973 4.50 (# 3973:20 Double Ambig)
&rst
ixpk= 3973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1534,1165,
igr2=1536,1537,1536,1537,
&end
#
# 101 LYS HE+ 101 LYS HB+ 5.50 (# 3974:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1536,1537,
&end
#
# 101 LYS HE- 101 LYS HB+ 5.50 (# 3975:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1536,1537,
&end
#
# 101 LYS HG- 101 LYS HB+ 5.50 (# 3976:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1539,1540,
igr2=1536,1537,
&end
#
# 80 VAL MG2 101 LYS HB+ 5.50 (# 3977:20 Unique 2.46, 4.57 A)
&rst
ixpk= 3977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1536,1537,
&end
#
# 102 VAL MG2 101 LYS HB+ 7.00 (# 3978:20 Unique 3.33, 5.77 A)
&rst
ixpk= 3978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1564,1565,1566,
igr2=1536,1537,
&end
#
# 80 VAL MG2 101 LYS HB- 5.50 (# 3979:20 Unique 2.46, 4.57 A)
&rst
ixpk= 3979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,
igr2=1536,1537,
&end
#
# 101 LYS HE- 101 LYS HB- 5.50 (# 3980:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1536,1537,
&end
#
# 101 LYS HE+ 101 LYS HB- 5.50 (# 3981:20 Unique 2.25, 3.93 A)
&rst
ixpk= 3981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545,1546,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:3982 101 LYS HB- 4.50 (# 3982:20 Single Ambig)
&rst
ixpk= 3982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1534,1165,
igr2=1536,1537,
&end
#
# 0 AMB 20-2:3983 101 LYS HB- 5.50 (# 3983:20 Single Ambig)
&rst
ixpk= 3983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1182,1520,
igr2=1536,1537,
&end
#
# 66 SER HN 65 VAL HB 5.50 (# 3984:20 Unique 4.15, 4.28 A)
&rst
ixpk= 3984, nxpk= 20, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3985 65 VAL HB 5.50 (# 3985:20 Single Ambig)
&rst
ixpk= 3985, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 645, 639,
&end
#
# 39 VAL MG2 94 GLN HG- 5.50 (# 3986:20 Unique 4.56, 7.35 A)
&rst
ixpk= 3986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 582, 583, 584,
igr2=1414,1415,
&end
#
# 91 ILE HA 94 GLN HG- 5.50 (# 3987:20 Unique 2.10, 2.60 A)
&rst
ixpk= 3987, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 90 ILE HA 94 GLN HG- 5.50 (# 3988:20 Unique 4.72, 5.65 A)
&rst
ixpk= 3988, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 94 GLN HE2- 94 GLN HG- 5.50 (# 3989:20 Unique 2.21, 3.21 A)
&rst
ixpk= 3989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1419,1420,
igr2=1414,1415,
&end
#
# 95 PHE HD2 94 GLN HG- 5.50 (# 3990:20 Unique 2.89, 3.82 A)
&rst
ixpk= 3990, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 95 PHE QD 94 GLN HG- 5.50 (# 3991:20 Unique 2.89, 4.23 A)
&rst
ixpk= 3991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1432,1440,
igr2=1414,1415,
&end
#
# 95 PHE HN 94 GLN HG- 5.50 (# 3992:20 Unique 2.38, 2.81 A)
&rst
ixpk= 3992, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 0 AMB 20-2:3994 0 AMB 20-1:3994 5.50 (# 3994:20 Double Ambig)
&rst
ixpk= 3994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1981,2193,
igr2=1971,1972,2164,2165,
&end
#
# 0 AMB 20-2:3995 0 AMB 20-1:3995 5.50 (# 3995:20 Double Ambig)
&rst
ixpk= 3995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2225,2031,
igr2=2164,2165,1971,1972,
&end
#
# 126 ILE HN 129 GLN HG+ 5.50 (# 3996:20 Unique 4.74, 6.00 A)
&rst
ixpk= 3996, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1971,1972,
&end
#
# 141 LEU HA 140 GLN HG+ 7.00 (# 3997:20 Unique 6.40, 6.57 A)
&rst
ixpk= 3997, nxpk= 20, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2164,2165,
&end
#
# 132 ASP HB+ 129 GLN HG+ 5.50 (# 3998:20 Unique 5.13, 6.16 A)
&rst
ixpk= 3998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2023,2024,
igr2=1971,1972,
&end
#
# 0 AMB 20-2:3999 0 AMB 20-1:3999 5.50 (# 3999:20 Double Ambig)
&rst
ixpk= 3999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1949,1950,2210,2211,
igr2=1971,1972,2164,2165,
&end
#
# 0 AMB 20-2:4000 0 AMB 20-1:4000 5.50 (# 4000:20 Double Ambig)
&rst
ixpk= 4000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1952,1953,2213,2214,
igr2=1971,1972,2164,2165,
&end
#
# 0 AMB 20-2:4001 0 AMB 20-1:4001 3.00 (# 4001:20 Double Ambig)
&rst
ixpk= 4001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1968,1969,2161,2162,
igr2=1971,1972,2164,2165,
&end
#
# 3 ILE QD1 1 MET HB- 5.50 (# 4002:20 Unique 4.76, 6.45 A)
&rst
ixpk= 4002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 46, 47, 48,
igr2= 8, 9,
&end
#
# 149 ARG HB- 1 MET HB- 5.50 (# 4003:20 Unique 3.84, 6.49 A)
&rst
ixpk= 4003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2321,2322,
igr2= 8, 9,
&end
#
# 2 ASP HN 1 MET HB- 5.50 (# 4005:20 Unique 4.02, 4.28 A)
&rst
ixpk= 4005, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 2 ASP HN 1 MET HB+ 7.00 (# 4006:20 Unique 4.02, 4.28 A)
&rst
ixpk= 4006, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 8, 9,
&end
#
# 3 ILE QD1 0 AMB 20-1:4007 5.50 (# 4007:20 Single Ambig)
&rst
ixpk= 4007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 46, 47, 48,
igr2= 508, 8, 9,
&end
#
# 0 AMB 20-2:4008 0 AMB 20-1:4008 4.50 (# 4008:20 Double Ambig)
&rst
ixpk= 4008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 325, 326,2246,2247,
igr2= 508, 8, 9,
&end
#
# 0 AMB 20-2:4010 34 VAL HB 4.50 (# 4010:20 Single Ambig)
&rst
ixpk= 4010, nxpk= 20, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 325, 326, 527, 528, 524, 525, 328, 329,
&end
#
# 1 MET HA 1 MET HB+ 5.50 (# 4014:20 Unique 2.38, 2.76 A)
&rst
ixpk= 4014, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 16 MET HE1 16 MET HB- 4.50 (# 4015:20 Unique 2.32, 3.43 A)
&rst
ixpk= 4015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 238, 239, 240,
igr2= 231, 232,
&end
#
# 0 AMB 20-2:4016 16 MET HB- 5.50 (# 4016:20 Single Ambig)
&rst
ixpk= 4016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 180,2005,2006,
igr2= 231, 232,
&end
#
# 16 MET HA 16 MET HB- 5.50 (# 4017:20 Unique 2.43, 2.76 A)
&rst
ixpk= 4017, nxpk= 20, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 231, 232,
&end
#
# 16 MET HN 16 MET HB- 5.50 (# 4018:20 Unique 2.51, 3.09 A)
&rst
ixpk= 4018, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 231, 232,
&end
#
# 17 ALA HN 16 MET HB- 5.50 (# 4019:20 Unique 2.39, 3.05 A)
&rst
ixpk= 4019, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 231, 232,
&end
#
# 0 AMB 20-2:4020 16 MET HB- 4.50 (# 4020:20 Single Ambig)
&rst
ixpk= 4020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2055,2056,2057, 220, 221,
igr2= 231, 232,
&end
#
# 57 GLU HN 56 PHE HB- 5.50 (# 4021:20 Unique 2.72, 3.36 A)
&rst
ixpk= 4021, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 815, 816,
&end
#
# 0 AMB 20-2:4022 56 PHE HB- 5.50 (# 4022:20 Single Ambig)
&rst
ixpk= 4022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 792, 868,
igr2= 815, 816,
&end
#
# 21 PHE HD2 24 ILE HB 5.50 (# 4023:20 Unique 5.14, 5.37 A)
&rst
ixpk= 4023, nxpk= 20, iat= 314, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR HN 98 TYR HB+ 5.50 (# 4024:20 Unique 2.40, 3.03 A)
&rst
ixpk= 4024, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1479,1480,
&end
#
# 0 AMB 20-2:4025 0 AMB 20-1:4025 5.50 (# 4025:20 Double Ambig)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1968,1969,2069,2070,2050,2051,
igr2=2023,2024,2023,2024,2023,2024,
&end
#
# 0 AMB 20-2:4026 0 AMB 20-1:4026 5.50 (# 4026:20 Double Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2035,2036,1971,1972,
igr2=2023,2024,2023,2024,
&end
#
# 0 AMB 20-2:4028 0 AMB 20-1:4028 5.50 (# 4028:20 Double Ambig)
&rst
ixpk= 4028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1912,1913,1503,1504,
igr2=1894,1895,1524,1525,
&end
#
# 101 LYS HB- 100 ASP HB- 5.50 (# 4029:20 Unique 3.97, 5.96 A)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1524,1525,
&end
#
# 99 ARG HB- 100 ASP HB- 5.50 (# 4030:20 Unique 4.81, 6.04 A)
&rst
ixpk= 4030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1500,1501,
igr2=1524,1525,
&end
#
# 0 AMB 20-2:4031 0 AMB 20-1:4031 5.50 (# 4031:20 Double Ambig)
&rst
ixpk= 4031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1536,1537,1946,1947,1500,1501,
igr2=1524,1525,1894,1895,
&end
#
# 126 ILE HB 125 ASP HB+ 5.50 (# 4032:20 Unique 5.16, 5.96 A)
&rst
ixpk= 4032, nxpk= 20, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1894,1895,
&end
#
# 0 AMB 20-2:4033 0 AMB 20-1:4033 7.00 (# 4033:20 Double Ambig)
&rst
ixpk= 4033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1881,1882,1875,
igr2=1894,1895,1894,1895,
&end
#
# 0 AMB 20-2:4034 4 ILE HB 4.50 (# 4034:20 Single Ambig)
&rst
ixpk= 4034, nxpk= 20, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1092,1093,1094,1020,1021,
&end
#
# 0 AMB 20-2:4035 0 AMB 20-1:4035 4.50 (# 4035:20 Double Ambig)
&rst
ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1611, 288, 289, 290, 898, 899, 900,
igr2=2099,2100, 918, 919,
&end
#
# 0 AMB 20-2:4036 0 AMB 20-1:4036 5.50 (# 4036:20 Double Ambig)
&rst
ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 889,1633,1634,2178,2179,
igr2= 918, 919,2099,2100,
&end
#
# 0 AMB 20-2:4037 62 LEU HB- 5.50 (# 4037:20 Single Ambig)
&rst
ixpk= 4037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 745, 746, 747, 850, 851,
igr2= 918, 919,
&end
#
# 55 LEU HB+ 62 LEU HB- 5.50 (# 4038:20 Unique 2.06, 2.91 A)
&rst
ixpk= 4038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797,
igr2= 918, 919,
&end
#
# 134 LEU HA 137 LEU HB- 5.50 (# 4039:20 Unique 2.57, 3.14 A)
&rst
ixpk= 4039, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 61 ALA HA 62 LEU HB- 5.50 (# 4041:20 Unique 4.09, 4.54 A)
&rst
ixpk= 4041, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 918, 919,
&end
#
# 137 LEU HA 137 LEU HB- 5.50 (# 4042:20 Unique 2.54, 2.81 A)
&rst
ixpk= 4042, nxpk= 20, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 6 VAL HA 36 SER HA 5.50 (# 4048:20 Unique 4.10, 4.45 A)
&rst
ixpk= 4048, nxpk= 20, iat= 93, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR MG2 84 THR HA 5.50 (# 4049:20 Unique 2.49, 2.95 A)
&rst
ixpk= 4049, nxpk= 20, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1596,1597,1598,
&end
#
# 115 ASP HB- 84 THR HA 5.50 (# 4051:20 Unique 3.36, 4.60 A)
&rst
ixpk= 4051, nxpk= 20, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1757,1758,
&end
#
# 84 THR HB 84 THR HA 5.50 (# 4053:20 Unique 2.34, 2.47 A)
&rst
ixpk= 4053, nxpk= 20, iat=1248,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4054 84 THR HA 5.50 (# 4054:20 Single Ambig)
&rst
ixpk= 4054, nxpk= 20, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1765,
&end
#
# 84 THR HN 84 THR HA 5.50 (# 4055:20 Unique 2.86, 2.91 A)
&rst
ixpk= 4055, nxpk= 20, iat=1244,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 HIS HN 84 THR HA 5.50 (# 4056:20 Unique 2.29, 2.39 A)
&rst
ixpk= 4056, nxpk= 20, iat=1258,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4057 5 PHE HA 5.50 (# 4057:20 Single Ambig)
&rst
ixpk= 4057, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 56, 37,
&end
#
# 81 LEU MD1 5 PHE HA 5.50 (# 4059:20 Unique 4.88, 5.71 A)
&rst
ixpk= 4059, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1207,1208,1209,
&end
#
# 84 THR MG2 115 ASP HA 5.50 (# 4060:20 Unique 4.53, 5.81 A)
&rst
ixpk= 4060, nxpk= 20, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1250,1251,1252,
&end
#
# 105 LEU HB+ 115 ASP HA 5.50 (# 4061:20 Unique 2.37, 3.62 A)
&rst
ixpk= 4061, nxpk= 20, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1608,1609,
&end
#
# 0 AMB 20-2:4062 33 ASN HA 7.00 (# 4062:20 Single Ambig)
&rst
ixpk= 4062, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 331, 332, 530, 531,
&end
#
# 32 VAL MG1 33 ASN HA 7.00 (# 4063:20 Unique 6.17, 6.34 A)
&rst
ixpk= 4063, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 480, 481, 482,
&end
#
# 32 VAL MG2 33 ASN HA 5.50 (# 4064:20 Unique 3.15, 4.44 A)
&rst
ixpk= 4064, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 484, 485, 486,
&end
#
# 34 VAL MG2 33 ASN HA 5.50 (# 4065:20 Unique 3.98, 5.21 A)
&rst
ixpk= 4065, nxpk= 20, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 514, 515, 516,
&end
#
# 2 ASP HA 33 ASN HA 5.50 (# 4067:20 Unique 4.50, 4.59 A)
&rst
ixpk= 4067, nxpk= 20, iat= 23, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ASN HN 33 ASN HA 4.50 (# 4068:20 Unique 2.92, 2.93 A)
&rst
ixpk= 4068, nxpk= 20, iat= 490, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 ARG HD+ 139 ARG HA 5.50 (# 4071:20 Unique 3.61, 4.42 A)
&rst
ixpk= 4071, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2143,2144,
&end
#
# 142 ALA HN 139 ARG HA 5.50 (# 4072:20 Unique 3.27, 3.32 A)
&rst
ixpk= 4072, nxpk= 20, iat=2193,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HN 88 LYS HA 5.50 (# 4073:20 Unique 3.55, 3.56 A)
&rst
ixpk= 4073, nxpk= 20, iat=1331,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ILE QG2 88 LYS HA 5.50 (# 4074:20 Unique 4.32, 4.92 A)
&rst
ixpk= 4074, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1373,1374,1375,
&end
#
# 88 LYS QD 88 LYS HA 5.50 (# 4076:20 Unique 4.10, 4.54 A)
&rst
ixpk= 4076, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 91 ILE HB 88 LYS HA 5.50 (# 4077:20 Unique 2.62, 2.68 A)
&rst
ixpk= 4077, nxpk= 20, iat=1371,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ALA HN 88 LYS HA 5.50 (# 4079:20 Unique 3.98, 4.06 A)
&rst
ixpk= 4079, nxpk= 20, iat=1386,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HG+ 71 GLU HA 5.50 (# 4083:20 Unique 2.45, 2.75 A)
&rst
ixpk= 4083, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1056,1057,
&end
#
# 74 MET HA 71 GLU HA 5.50 (# 4084:20 Unique 4.99, 5.03 A)
&rst
ixpk= 4084, nxpk= 20, iat=1100,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HN 71 GLU HA 5.50 (# 4085:20 Unique 2.76, 2.78 A)
&rst
ixpk= 4085, nxpk= 20, iat=1049,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLU HN 71 GLU HA 5.50 (# 4086:20 Unique 3.93, 3.97 A)
&rst
ixpk= 4086, nxpk= 20, iat=1115,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4087 0 AMB 20-1:4087 4.50 (# 4087:20 Double Ambig)
&rst
ixpk= 4087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2210,2211,1949,1950,
igr2=2159,1966,
&end
#
# 0 AMB 20-2:4088 0 AMB 20-1:4088 3.50 (# 4088:20 Double Ambig)
&rst
ixpk= 4088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2210,2211,1949,1950,2140,2141,
igr2=2159,1966,
&end
#
# 81 LEU HB- 105 LEU HA 4.50 (# 4090:20 Unique 4.50, 5.20 A)
&rst
ixpk= 4090, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1202,1203,
&end
#
# 39 VAL MG2 87 HIS HA 5.50 (# 4092:20 Unique 3.00, 4.15 A)
&rst
ixpk= 4092, nxpk= 20, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 582, 583, 584,
&end
#
# 0 AMB 20-2:4093 87 HIS HA 5.50 (# 4093:20 Single Ambig)
&rst
ixpk= 4093, nxpk= 20, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 124, 125, 126,1221,1222,1223,
&end
#
# 0 AMB 20-2:4094 105 LEU HA 5.50 (# 4094:20 Single Ambig)
&rst
ixpk= 4094, nxpk= 20, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1691,1692,1693,1775,1776,1777,
&end
#
# 87 HIS HB+ 87 HIS HA 5.50 (# 4095:20 Unique 2.41, 2.76 A)
&rst
ixpk= 4095, nxpk= 20, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1296,1297,
&end
#
# 87 HIS HB- 87 HIS HA 5.50 (# 4096:20 Unique 2.41, 2.76 A)
&rst
ixpk= 4096, nxpk= 20, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1296,1297,
&end
#
# 0 AMB 20-2:4097 0 AMB 20-1:4097 5.50 (# 4097:20 Double Ambig)
&rst
ixpk= 4097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1662,1350,
igr2=1647,1294,
&end
#
# 66 SER HN 66 SER HA 5.50 (# 4099:20 Unique 2.79, 2.82 A)
&rst
ixpk= 4099, nxpk= 20, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HB+ 66 SER HA 5.50 (# 4100:20 Unique 2.39, 2.74 A)
&rst
ixpk= 4100, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 985,
&end
#
# 66 SER HB- 66 SER HA 4.50 (# 4101:20 Unique 2.39, 2.74 A)
&rst
ixpk= 4101, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 984, 985,
&end
#
# 10 ASN HB+ 66 SER HA 5.50 (# 4102:20 Unique 3.79, 4.27 A)
&rst
ixpk= 4102, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 0 AMB 20-2:4103 66 SER HA 5.50 (# 4103:20 Single Ambig)
&rst
ixpk= 4103, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 612, 613, 614, 159, 160, 161, 220, 221, 559, 560,
561,
&end
#
# 0 AMB 20-2:4104 0 AMB 20-1:4104 5.50 (# 4104:20 Double Ambig)
&rst
ixpk= 4104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 510, 511, 512,1316,1317,1458,1459,
igr2= 256,1498,
&end
#
# 0 AMB 20-2:4105 0 AMB 20-1:4105 5.50 (# 4105:20 Double Ambig)
&rst
ixpk= 4105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2127,2128,2129,1188,1189,1190,
igr2= 256,1498,
&end
#
# 18 GLU HB+ 18 GLU HA 5.50 (# 4106:20 Unique 2.28, 2.69 A)
&rst
ixpk= 4106, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 259,
&end
#
# 0 AMB 20-2:4108 0 AMB 20-1:4108 5.50 (# 4108:20 Double Ambig)
&rst
ixpk= 4108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 318,1386,
igr2= 256,1498,
&end
#
# 0 AMB 20-2:4109 131 ARG HA 5.50 (# 4109:20 Single Ambig)
&rst
ixpk= 4109, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2002,2003, 856, 857,
&end
#
# 130 THR MG2 131 ARG HA 5.50 (# 4110:20 Unique 3.08, 4.19 A)
&rst
ixpk= 4110, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1987,1988,1989,
&end
#
# 134 LEU HB+ 131 ARG HA 5.50 (# 4111:20 Unique 2.08, 2.64 A)
&rst
ixpk= 4111, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2050,2051,
&end
#
# 131 ARG HB+ 131 ARG HA 5.50 (# 4112:20 Unique 2.27, 2.47 A)
&rst
ixpk= 4112, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1999,2000,
&end
#
# 131 ARG HB- 131 ARG HA 5.50 (# 4114:20 Unique 2.27, 2.47 A)
&rst
ixpk= 4114, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1999,2000,
&end
#
# 0 AMB 20-2:4115 131 ARG HA 5.50 (# 4115:20 Single Ambig)
&rst
ixpk= 4115, nxpk= 20, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 786, 787, 788,1819,1820,
&end
#
# 0 AMB 20-2:4118 80 VAL HA 5.50 (# 4118:20 Single Ambig)
&rst
ixpk= 4118, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1170,1145,1146,1147,
&end
#
# 0 AMB 20-2:4119 80 VAL HA 5.50 (# 4119:20 Single Ambig)
&rst
ixpk= 4119, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1202,1203,1564,1565,1566,
&end
#
# 0 AMB 20-2:4120 80 VAL HA 5.50 (# 4120:20 Single Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 62, 63,1167,1168,
&end
#
# 4 ILE HB 80 VAL HA 5.50 (# 4121:20 Unique 2.58, 2.72 A)
&rst
ixpk= 4121, nxpk= 20, iat= 56,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4122 80 VAL HA 5.50 (# 4122:20 Single Ambig)
&rst
ixpk= 4122, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1202,1203,1539,1540,
&end
#
# 80 VAL HB 80 VAL HA 5.50 (# 4123:20 Unique 3.02, 3.04 A)
&rst
ixpk= 4123, nxpk= 20, iat=1186,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LYS HN 85 HIS HA 5.50 (# 4124:20 Unique 2.98, 3.06 A)
&rst
ixpk= 4124, nxpk= 20, iat=1309,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HN 93 SER HA 5.50 (# 4125:20 Unique 4.45, 4.57 A)
&rst
ixpk= 4125, nxpk= 20, iat=1424,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4126 93 SER HA 5.50 (# 4126:20 Single Ambig)
&rst
ixpk= 4126, nxpk= 20, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1451,1386,
&end
#
# 93 SER HB+ 93 SER HA 3.00 (# 4127:20 Unique 2.44, 2.75 A)
&rst
ixpk= 4127, nxpk= 20, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1400,1401,
&end
#
# 0 AMB 20-2:4128 93 SER HA 5.50 (# 4128:20 Single Ambig)
&rst
ixpk= 4128, nxpk= 20, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1350,
&end
#
# 92 ALA MB 93 SER HA 5.50 (# 4129:20 Unique 4.07, 4.83 A)
&rst
ixpk= 4129, nxpk= 20, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1390,1391,1392,
&end
#
# 0 AMB 20-2:4130 93 SER HA 7.00 (# 4130:20 Single Ambig)
&rst
ixpk= 4130, nxpk= 20, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1414,1415,1358,1359,1352,
&end
#
# 106 LYS HD+ 106 LYS HA 5.50 (# 4140:20 Unique 2.12, 2.72 A)
&rst
ixpk= 4140, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1633,1634,
&end
#
# 106 LYS HD- 106 LYS HA 5.50 (# 4141:20 Unique 2.12, 2.72 A)
&rst
ixpk= 4141, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1633,1634,
&end
#
# 0 AMB 20-2:4142 0 AMB 20-1:4142 3.00 (# 4142:20 Double Ambig)
&rst
ixpk= 4142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1915,1916,1917, 898, 899, 900,
igr2=1904, 344, 345,
&end
#
# 27 ARG HG+ 23 SER HB+ 5.50 (# 4143:20 Unique 4.06, 5.85 A)
&rst
ixpk= 4143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 402, 403,
igr2= 344, 345,
&end
#
# 0 AMB 20-2:4144 0 AMB 20-1:4144 5.50 (# 4144:20 Double Ambig)
&rst
ixpk= 4144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 322, 323, 322, 323,1946,1947,
igr2= 344, 345, 344, 345,1904,
&end
#
# 60 ILE HG1- 23 SER HB+ 4.50 (# 4145:20 Unique 2.70, 4.23 A)
&rst
ixpk= 4145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 895, 896,
igr2= 344, 345,
&end
#
# 129 GLN HG- 126 ILE HA 5.50 (# 4146:20 Unique 2.85, 4.07 A)
&rst
ixpk= 4146, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1971,1972,
&end
#
# 129 GLN HG+ 126 ILE HA 5.50 (# 4147:20 Unique 2.85, 4.07 A)
&rst
ixpk= 4147, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1971,1972,
&end
#
# 11 THR HN 11 THR HA 5.50 (# 4148:20 Unique 2.74, 2.75 A)
&rst
ixpk= 4148, nxpk= 20, iat= 153, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HB 11 THR HA 5.50 (# 4149:20 Unique 2.53, 2.63 A)
&rst
ixpk= 4149, nxpk= 20, iat= 157, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HA 11 THR HA 7.00 (# 4150:20 Unique 6.67, 6.84 A)
&rst
ixpk= 4150, nxpk= 20, iat= 204, 155, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 PRO HG- 11 THR HA 5.50 (# 4151:20 Unique 2.22, 3.01 A)
&rst
ixpk= 4151, nxpk= 20, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 217, 218,
&end
#
# 126 ILE QD1 119 PRO HA 5.50 (# 4152:20 Unique 5.20, 6.08 A)
&rst
ixpk= 4152, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1915,1916,1917,
&end
#
# 117 LEU HG 119 PRO HA 5.50 (# 4155:20 Unique 3.94, 5.18 A)
&rst
ixpk= 4155, nxpk= 20, iat=1788,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HB 119 PRO HA 5.50 (# 4156:20 Unique 3.44, 3.70 A)
&rst
ixpk= 4156, nxpk= 20, iat=1906,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HA 119 PRO HA 5.50 (# 4157:20 Unique 5.03, 5.12 A)
&rst
ixpk= 4157, nxpk= 20, iat=1904,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 PHE HN 119 PRO HA 5.50 (# 4158:20 Unique 3.37, 3.44 A)
&rst
ixpk= 4158, nxpk= 20, iat=1826,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4159 0 AMB 20-1:4159 5.50 (# 4159:20 Double Ambig)
&rst
ixpk= 4159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1358,1359,1352,
igr2=1400,1401,1400,1401,
&end
#
# 91 ILE HB 93 SER HB+ 7.00 (# 4160:20 Unique 6.75, 7.66 A)
&rst
ixpk= 4160, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1400,1401,
&end
#
# 91 ILE HA 93 SER HB+ 5.50 (# 4161:20 Unique 5.34, 6.21 A)
&rst
ixpk= 4161, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1400,1401,
&end
#
# 90 ILE HA 93 SER HB+ 3.50 (# 4162:20 Unique 2.44, 3.36 A)
&rst
ixpk= 4162, nxpk= 20, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1400,1401,
&end
#
# 0 AMB 20-2:4163 0 AMB 20-1:4163 5.50 (# 4163:20 Double Ambig)
&rst
ixpk= 4163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1386,1451,
igr2=1400,1401,1400,1401,
&end
#
# 95 PHE HN 93 SER HB+ 5.50 (# 4164:20 Unique 5.08, 5.53 A)
&rst
ixpk= 4164, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1400,1401,
&end
#
# 0 AMB 20-2:4165 127 TYR HA 5.50 (# 4165:20 Single Ambig)
&rst
ixpk= 4165, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1794,1795,1796,1884,1885,1886,
&end
#
# 0 AMB 20-2:4166 0 AMB 20-1:4166 5.50 (# 4166:20 Double Ambig)
&rst
ixpk= 4166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1908,1909,1910,1145,1146,1147,
igr2=1923,1134,1135,
&end
#
# 0 AMB 20-2:4168 127 TYR HA 5.50 (# 4168:20 Single Ambig)
&rst
ixpk= 4168, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1822,1892,
&end
#
# 76 SER HA 76 SER HB+ 3.50 (# 4169:20 Unique 2.44, 2.75 A)
&rst
ixpk= 4169, nxpk= 20, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1134,1135,
&end
#
# 77 ALA HN 76 SER HB- 5.50 (# 4171:20 Unique 2.72, 3.32 A)
&rst
ixpk= 4171, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1134,1135,
&end
#
# 130 THR HN 127 TYR HA 5.50 (# 4172:20 Unique 3.10, 3.31 A)
&rst
ixpk= 4172, nxpk= 20, iat=1981,1923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ARG HN 127 TYR HA 5.50 (# 4173:20 Unique 3.76, 3.99 A)
&rst
ixpk= 4173, nxpk= 20, iat=1995,1923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4174 39 VAL HA 5.50 (# 4174:20 Single Ambig)
&rst
ixpk= 4174, nxpk= 20, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1023, 559, 560, 561, 612, 613, 614,
&end
#
# 39 VAL HN 39 VAL HA 5.50 (# 4175:20 Unique 2.81, 2.86 A)
&rst
ixpk= 4175, nxpk= 20, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 PHE HN 39 VAL HA 5.50 (# 4176:20 Unique 3.49, 3.54 A)
&rst
ixpk= 4176, nxpk= 20, iat= 588, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 THR HN 109 VAL HA 5.50 (# 4177:20 Unique 3.55, 3.58 A)
&rst
ixpk= 4177, nxpk= 20, iat=1697,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLY HN 42 SER HB+ 5.50 (# 4178:20 Unique 2.88, 4.58 A)
&rst
ixpk= 4178, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 622, 623,
&end
#
# 10 ASN HB- 66 SER HB+ 5.50 (# 4180:20 Unique 2.21, 3.56 A)
&rst
ixpk= 4180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 984, 985,
&end
#
# 10 ASN HB+ 66 SER HB+ 5.50 (# 4181:20 Unique 2.21, 3.56 A)
&rst
ixpk= 4181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 984, 985,
&end
#
# 11 THR HA 66 SER HB+ 6.00 (# 4183:20 Unique 5.17, 5.71 A)
&rst
ixpk= 4183, nxpk= 20, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 984, 985,
&end
#
# 66 SER HA 66 SER HB+ 5.50 (# 4184:20 Unique 2.39, 2.74 A)
&rst
ixpk= 4184, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 985,
&end
#
# 45 GLY HN 66 SER HB+ 7.00 (# 4185:20 Unique 2.42, 3.84 A)
&rst
ixpk= 4185, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 984, 985,
&end
#
# 66 SER HN 66 SER HB+ 5.50 (# 4186:20 Unique 2.30, 2.99 A)
&rst
ixpk= 4186, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 985,
&end
#
# 67 SER HN 66 SER HB+ 5.50 (# 4187:20 Unique 2.38, 3.07 A)
&rst
ixpk= 4187, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 985,
&end
#
# 83 MET HE 14 SER HA 5.50 (# 4188:20 Unique 2.32, 3.52 A)
&rst
ixpk= 4188, nxpk= 20, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1238,1239,1240,
&end
#
# 0 AMB 20-2:4189 14 SER HA 5.50 (# 4189:20 Single Ambig)
&rst
ixpk= 4189, nxpk= 20, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 220, 221,1613,1614,1615,
&end
#
# 5 PHE HB+ 14 SER HA 5.50 (# 4191:20 Unique 2.37, 2.92 A)
&rst
ixpk= 4191, nxpk= 20, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 17 ALA HN 14 SER HA 5.50 (# 4192:20 Unique 3.21, 3.53 A)
&rst
ixpk= 4192, nxpk= 20, iat= 244, 204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 PHE QD 14 SER HA 5.50 (# 4194:20 Unique 4.31, 4.90 A)
&rst
ixpk= 4194, nxpk= 20, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 87,
&end
#
# 123 SER HN 123 SER HB+ 5.50 (# 4195:20 Unique 2.78, 3.17 A)
&rst
ixpk= 4195, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 125 ASP HN 123 SER HB+ 5.50 (# 4196:20 Unique 2.67, 3.57 A)
&rst
ixpk= 4196, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 123 SER HA 123 SER HB+ 4.50 (# 4197:20 Unique 2.38, 2.47 A)
&rst
ixpk= 4197, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1864,1865,
&end
#
# 124 ILE QG2 123 SER HB+ 5.50 (# 4200:20 Unique 3.09, 5.05 A)
&rst
ixpk= 4200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1877,1878,1879,
igr2=1864,1865,
&end
#
# 124 ILE HN 123 SER HB- 5.50 (# 4201:20 Unique 2.38, 3.08 A)
&rst
ixpk= 4201, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 125 ASP HN 123 SER HB- 5.50 (# 4202:20 Unique 2.67, 3.57 A)
&rst
ixpk= 4202, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 123 SER HN 123 SER HB- 5.50 (# 4203:20 Unique 2.78, 3.17 A)
&rst
ixpk= 4203, nxpk= 20, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 123 SER HA 123 SER HB- 4.50 (# 4204:20 Unique 2.38, 2.47 A)
&rst
ixpk= 4204, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1864,1865,
&end
#
# 124 ILE QG2 123 SER HB- 5.50 (# 4207:20 Unique 3.09, 5.05 A)
&rst
ixpk= 4207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1877,1878,1879,
igr2=1864,1865,
&end
#
# 15 PRO HB+ 15 PRO HA 5.50 (# 4209:20 Unique 2.24, 2.51 A)
&rst
ixpk= 4209, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 221,
&end
#
# 15 PRO HG+ 15 PRO HA 5.50 (# 4210:20 Unique 2.84, 3.84 A)
&rst
ixpk= 4210, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 217, 218,
&end
#
# 15 PRO HB- 15 PRO HA 5.50 (# 4211:20 Unique 2.24, 2.51 A)
&rst
ixpk= 4211, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 221,
&end
#
# 15 PRO HG- 15 PRO HA 5.50 (# 4212:20 Unique 2.84, 3.84 A)
&rst
ixpk= 4212, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 217, 218,
&end
#
# 18 GLU HB- 15 PRO HA 5.50 (# 4213:20 Unique 2.06, 2.77 A)
&rst
ixpk= 4213, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 259,
&end
#
# 18 GLU HG- 15 PRO HA 5.50 (# 4214:20 Unique 3.90, 4.57 A)
&rst
ixpk= 4214, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 261, 262,
&end
#
# 18 GLU HB+ 15 PRO HA 5.50 (# 4215:20 Unique 2.06, 2.77 A)
&rst
ixpk= 4215, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 259,
&end
#
# 18 GLU HA 15 PRO HA 5.50 (# 4216:20 Unique 4.79, 5.00 A)
&rst
ixpk= 4216, nxpk= 20, iat= 256, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HA 15 PRO HA 5.50 (# 4217:20 Unique 4.66, 4.73 A)
&rst
ixpk= 4217, nxpk= 20, iat= 204, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4218 15 PRO HA 7.00 (# 4218:20 Single Ambig)
&rst
ixpk= 4218, nxpk= 20, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 227, 79, 87,
&end
#
# 19 ALA HN 15 PRO HA 5.50 (# 4219:20 Unique 3.77, 3.84 A)
&rst
ixpk= 4219, nxpk= 20, iat= 269, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 15 PRO HA 5.50 (# 4220:20 Unique 2.95, 3.12 A)
&rst
ixpk= 4220, nxpk= 20, iat= 254, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE QG2 90 ILE HA 3.50 (# 4221:20 Unique 2.53, 3.19 A)
&rst
ixpk= 4221, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1354,1355,1356,
&end
#
# 90 ILE HG1+ 90 ILE HA 4.50 (# 4222:20 Unique 2.65, 2.76 A)
&rst
ixpk= 4222, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1358,1359,
&end
#
# 0 AMB 20-2:4223 90 ILE HA 4.50 (# 4223:20 Single Ambig)
&rst
ixpk= 4223, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1358,1359,1352,
&end
#
# 0 AMB 20-2:4224 90 ILE HA 5.50 (# 4224:20 Single Ambig)
&rst
ixpk= 4224, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1336,1414,1415,
&end
#
# 93 SER HN 90 ILE HA 5.50 (# 4225:20 Unique 3.17, 3.23 A)
&rst
ixpk= 4225, nxpk= 20, iat=1396,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE HN 90 ILE HA 5.50 (# 4226:20 Unique 2.86, 2.87 A)
&rst
ixpk= 4226, nxpk= 20, iat=1348,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ILE HN 90 ILE HA 5.50 (# 4227:20 Unique 3.56, 3.57 A)
&rst
ixpk= 4227, nxpk= 20, iat=1367,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HA 112 SER HB+ 5.50 (# 4229:20 Unique 4.26, 5.17 A)
&rst
ixpk= 4229, nxpk= 20, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 110 THR HB 112 SER HB+ 4.50 (# 4230:20 Unique 3.19, 4.92 A)
&rst
ixpk= 4230, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1722,1723,
&end
#
# 66 SER HA 66 SER HB- 4.50 (# 4231:20 Unique 2.39, 2.74 A)
&rst
ixpk= 4231, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:4232 0 AMB 20-1:4232 4.50 (# 4232:20 Double Ambig)
&rst
ixpk= 4232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1720, 557,
igr2=1722,1723, 984, 985,
&end
#
# 112 SER HA 112 SER HB- 2.80 (# 4233:20 Unique 2.45, 2.76 A)
&rst
ixpk= 4233, nxpk= 20, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1722,1723,
&end
#
# 110 THR HB 112 SER HB- 5.50 (# 4234:20 Unique 3.19, 4.92 A)
&rst
ixpk= 4234, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:4237 112 SER HB- 5.50 (# 4237:20 Single Ambig)
&rst
ixpk= 4237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1630,1631,1703,1704,1705,
igr2=1722,1723,
&end
#
# 112 SER HN 112 SER HB+ 4.50 (# 4238:20 Unique 2.52, 3.27 A)
&rst
ixpk= 4238, nxpk= 20, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1722,1723,
&end
#
# 67 SER HN 66 SER HB- 5.50 (# 4239:20 Unique 2.38, 3.07 A)
&rst
ixpk= 4239, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 985,
&end
#
# 66 SER HN 66 SER HB- 5.50 (# 4240:20 Unique 2.30, 2.99 A)
&rst
ixpk= 4240, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:4241 90 ILE HA 3.50 (# 4241:20 Single Ambig)
&rst
ixpk= 4241, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1358,1359,1352,
&end
#
# 0 AMB 20-2:4242 90 ILE HA 5.50 (# 4242:20 Single Ambig)
&rst
ixpk= 4242, nxpk= 20, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1336,1414,1415,
&end
#
# 73 LEU MD2 67 SER HB+ 5.50 (# 4243:20 Unique 4.21, 5.53 A)
&rst
ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,1094,
igr2= 995, 996,
&end
#
# 73 LEU MD2 67 SER HB- 5.50 (# 4244:20 Unique 4.21, 5.53 A)
&rst
ixpk= 4244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093,1094,
igr2= 995, 996,
&end
#
# 0 AMB 20-2:4245 0 AMB 20-1:4245 5.50 (# 4245:20 Double Ambig)
&rst
ixpk= 4245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 559, 560, 561, 612, 613, 614,
igr2= 995, 996, 995, 996,
&end
#
# 0 AMB 20-2:4246 67 SER HB- 5.50 (# 4246:20 Single Ambig)
&rst
ixpk= 4246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 559, 560, 561, 612, 613, 614,
igr2= 995, 996,
&end
#
# 0 AMB 20-2:4247 0 AMB 20-1:4247 5.50 (# 4247:20 Double Ambig)
&rst
ixpk= 4247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 633, 634,1006,1007,
igr2= 995, 996, 995, 996,
&end
#
# 0 AMB 20-2:4248 67 SER HB- 5.50 (# 4248:20 Single Ambig)
&rst
ixpk= 4248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 633, 634,1006,1007,
igr2= 995, 996,
&end
#
# 66 SER HA 67 SER HB+ 5.50 (# 4252:20 Unique 4.27, 5.04 A)
&rst
ixpk= 4252, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 0 AMB 20-2:4253 67 SER HB- 5.50 (# 4253:20 Single Ambig)
&rst
ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 639, 982,
igr2= 995, 996,
&end
#
# 37 ALA HA 67 SER HB+ 5.50 (# 4254:20 Unique 3.54, 4.70 A)
&rst
ixpk= 4254, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 37 ALA HA 67 SER HB- 5.50 (# 4255:20 Unique 3.54, 4.70 A)
&rst
ixpk= 4255, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 67 SER HA 67 SER HB+ 5.50 (# 4256:20 Unique 2.48, 2.80 A)
&rst
ixpk= 4256, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 67 SER HA 67 SER HB- 5.50 (# 4257:20 Unique 2.48, 2.80 A)
&rst
ixpk= 4257, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 0 AMB 20-2:4258 0 AMB 20-1:4258 5.50 (# 4258:20 Double Ambig)
&rst
ixpk= 4258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 565, 544, 555,
igr2= 995, 996, 995, 996, 995, 996,
&end
#
# 0 AMB 20-2:4259 67 SER HB- 7.00 (# 4259:20 Single Ambig)
&rst
ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 565, 544, 555,
igr2= 995, 996,
&end
#
# 67 SER HN 67 SER HB+ 5.50 (# 4260:20 Unique 2.76, 3.40 A)
&rst
ixpk= 4260, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 67 SER HN 67 SER HB- 5.50 (# 4261:20 Unique 2.76, 3.40 A)
&rst
ixpk= 4261, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995, 996,
&end
#
# 39 VAL HN 8 THR HA 3.00 (# 4267:20 Unique 2.33, 2.83 A)
&rst
ixpk= 4267, nxpk= 20, iat= 572, 120, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:4268 8 THR HA 4.50 (# 4268:20 Single Ambig)
&rst
ixpk= 4268, nxpk= 20, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 588, 139,
&end
#
# 39 VAL MG1 8 THR HA 5.50 (# 4270:20 Unique 4.43, 5.28 A)
&rst
ixpk= 4270, nxpk= 20, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 578, 579, 580,
&end
#
# 8 THR MG2 8 THR HA 2.80 (# 4271:20 Unique 2.34, 2.92 A)
&rst
ixpk= 4271, nxpk= 20, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 124, 125, 126,
&end
#
# 0 AMB 20-2:4272 0 AMB 20-1:4272 5.50 (# 4272:20 Double Ambig)
&rst
ixpk= 4272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 690, 691, 692,1411,1412,
igr2= 753,1369,
&end
#
# 52 VAL MG2 52 VAL HA 3.50 (# 4273:20 Unique 2.41, 2.93 A)
&rst
ixpk= 4273, nxpk= 20, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 761, 762, 763,
&end
#
# 39 VAL MG1 91 ILE HA 5.50 (# 4274:20 Unique 3.23, 4.48 A)
&rst
ixpk= 4274, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 578, 579, 580,
&end
#
# 91 ILE HB 91 ILE HA 5.50 (# 4275:20 Unique 3.04, 3.04 A)
&rst
ixpk= 4275, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4277 0 AMB 20-1:4277 5.50 (# 4277:20 Double Ambig)
&rst
ixpk= 4277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1432,1440, 724,
igr2=1369, 753,
&end
#
# 94 GLN HN 91 ILE HA 5.50 (# 4278:20 Unique 3.50, 3.52 A)
&rst
ixpk= 4278, nxpk= 20, iat=1407,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HN 91 ILE HA 5.50 (# 4279:20 Unique 4.00, 4.05 A)
&rst
ixpk= 4279, nxpk= 20, iat=1424,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ILE HN 91 ILE HA 5.50 (# 4280:20 Unique 2.84, 2.85 A)
&rst
ixpk= 4280, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4281 0 AMB 20-1:4281 6.00 (# 4281:20 Double Ambig)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1440, 846,
igr2=1369, 753,
&end
#
# 51 ALA HN 52 VAL HA 7.00 (# 4282:20 Unique 5.22, 5.23 A)
&rst
ixpk= 4282, nxpk= 20, iat= 741, 753, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 ARG HN 24 ILE HA 5.50 (# 4283:20 Unique 3.05, 3.15 A)
&rst
ixpk= 4283, nxpk= 20, iat= 395, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 ARG HD+ 1 MET HE 5.50 (# 4284:20 Unique 2.46, 5.69 A)
&rst
ixpk= 4284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2327,2328,
igr2= 15, 16, 17,
&end
#
# 79 LEU HA 1 MET HE 5.50 (# 4286:20 Unique 4.51, 5.59 A)
&rst
ixpk= 4286, nxpk= 20, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 108 TYR QE 1 MET HE 5.50 (# 4287:20 Unique 4.35, 5.81 A)
&rst
ixpk= 4287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4292 1 MET HE 5.50 (# 4292:20 Single Ambig)
&rst
ixpk= 4292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2341,2317,
igr2= 15, 16, 17,
&end
#
# 80 VAL HN 1 MET HE 7.00 (# 4294:20 Unique 6.18, 7.08 A)
&rst
ixpk= 4294, nxpk= 20, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 15, 16, 17,
&end
#
# 3 ILE HN 1 MET HE 5.50 (# 4295:20 Unique 5.32, 6.65 A)
&rst
ixpk= 4295, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 78 ASP HN 1 MET HE 7.00 (# 4296:20 Unique 5.23, 6.64 A)
&rst
ixpk= 4296, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 15, 16, 17,
&end
#
# 2 ASP HA 1 MET HE 7.00 (# 4297:20 Unique 5.34, 6.67 A)
&rst
ixpk= 4297, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 15, 16, 17,
&end
#
# 79 LEU MD1 1 MET HE 3.50 (# 4298:20 Unique 2.72, 4.90 A)
&rst
ixpk= 4298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1172,1173,1174,
igr2= 15, 16, 17,
&end
#
# 131 ARG HN 54 ALA MB 5.50 (# 4300:20 Unique 4.46, 5.46 A)
&rst
ixpk= 4300, nxpk= 20, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 786, 787, 788,
&end
#
# 94 GLN HE2- 90 ILE QG2 5.50 (# 4301:20 Unique 5.47, 6.72 A)
&rst
ixpk= 4301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1419,1420,
igr2=1354,1355,1356,
&end
#
# 0 AMB 20-2:4302 0 AMB 20-1:4302 5.50 (# 4302:20 Double Ambig)
&rst
ixpk= 4302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1396, 434,1309,
igr2=1354,1355,1356, 357, 358, 359,
&end
#
# 94 GLN HN 90 ILE QG2 5.50 (# 4303:20 Unique 4.25, 5.01 A)
&rst
ixpk= 4303, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1354,1355,1356,
&end
#
# 22 LYS HN 25 ALA MB 5.50 (# 4304:20 Unique 5.11, 5.79 A)
&rst
ixpk= 4304, nxpk= 20, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 374, 375, 376,
&end
#
# 0 AMB 20-2:4305 24 ILE QG2 5.50 (# 4305:20 Single Ambig)
&rst
ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 395, 380,
igr2= 357, 358, 359,
&end
#
# 0 AMB 20-2:4306 24 ILE QG2 5.50 (# 4306:20 Single Ambig)
&rst
ixpk= 4306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2274,2275, 302, 303,
igr2= 357, 358, 359,
&end
#
# 91 ILE HN 90 ILE QD1 5.50 (# 4307:20 Unique 4.88, 5.62 A)
&rst
ixpk= 4307, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1361,1362,1363,
&end
#
# 87 HIS HN 90 ILE QD1 5.50 (# 4308:20 Unique 4.36, 5.34 A)
&rst
ixpk= 4308, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1361,1362,1363,
&end
#
# 4 ILE HN 3 ILE QD1 5.50 (# 4309:20 Unique 5.81, 6.41 A)
&rst
ixpk= 4309, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 46, 47, 48,
&end
#
# 108 TYR QE 3 ILE QD1 5.50 (# 4310:20 Unique 4.40, 6.91 A)
&rst
ixpk= 4310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1670,1675,
igr2= 46, 47, 48,
&end
#
# 2 ASP HA 3 ILE QD1 5.50 (# 4311:20 Unique 5.35, 5.86 A)
&rst
ixpk= 4311, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 46, 47, 48,
&end
#
# 0 AMB 20-2:4312 3 ILE QD1 5.50 (# 4312:20 Single Ambig)
&rst
ixpk= 4312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 506, 492,
igr2= 46, 47, 48,
&end
#
# 2 ASP HN 3 ILE QD1 7.00 (# 4313:20 Unique 5.44, 6.30 A)
&rst
ixpk= 4313, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 46, 47, 48,
&end
#
# 78 ASP HN 3 ILE QD1 7.00 (# 4314:20 Unique 7.46, 7.80 A)
&rst
ixpk= 4314, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 46, 47, 48,
&end
#
# 145 LEU HA 3 ILE QD1 7.00 (# 4315:20 Unique 5.77, 7.32 A)
&rst
ixpk= 4315, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 46, 47, 48,
&end
#
# 142 ALA HA 3 ILE QD1 6.50 (# 4316:20 Unique 6.30, 6.69 A)
&rst
ixpk= 4316, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 46, 47, 48,
&end
#
# 1 MET HB- 3 ILE QD1 5.50 (# 4318:20 Unique 4.76, 6.45 A)
&rst
ixpk= 4318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 8, 9,
igr2= 46, 47, 48,
&end
#
# 0 AMB 20-2:4320 124 ILE QD1 5.50 (# 4320:20 Single Ambig)
&rst
ixpk= 4320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 769,1864,1865,
igr2=1884,1885,1886,
&end
#
# 35 ARG HB+ 4 ILE QD1 5.50 (# 4322:20 Unique 4.52, 5.80 A)
&rst
ixpk= 4322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 524, 525,
igr2= 65, 66, 67,
&end
#
# 35 ARG HD- 4 ILE QD1 5.50 (# 4323:20 Unique 3.15, 6.03 A)
&rst
ixpk= 4323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 530, 531,
igr2= 65, 66, 67,
&end
#
# 35 ARG HD+ 4 ILE QD1 5.50 (# 4324:20 Unique 3.15, 6.03 A)
&rst
ixpk= 4324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 530, 531,
igr2= 65, 66, 67,
&end
#
# 0 AMB 20-2:4325 4 ILE QD1 5.50 (# 4325:20 Single Ambig)
&rst
ixpk= 4325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1018,1143,
igr2= 65, 66, 67,
&end
#
# 87 HIS HB+ 91 ILE QD1 5.50 (# 4326:20 Unique 2.93, 4.45 A)
&rst
ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1296,1297,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:4327 91 ILE QD1 5.50 (# 4327:20 Single Ambig)
&rst
ixpk= 4327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1388,1350,
igr2=1380,1381,1382,
&end
#
# 82 ALA HA 91 ILE QD1 5.50 (# 4328:20 Unique 3.59, 4.50 A)
&rst
ixpk= 4328, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1380,1381,1382,
&end
#
# 80 VAL HA 4 ILE QD1 5.50 (# 4329:20 Unique 4.06, 5.05 A)
&rst
ixpk= 4329, nxpk= 20, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 65, 66, 67,
&end
#
# 35 ARG HA 4 ILE QD1 7.00 (# 4330:20 Unique 7.35, 8.00 A)
&rst
ixpk= 4330, nxpk= 20, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 65, 66, 67,
&end
#
# 70 THR HN 4 ILE QD1 5.50 (# 4331:20 Unique 5.14, 6.10 A)
&rst
ixpk= 4331, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 65, 66, 67,
&end
#
# 77 ALA HN 4 ILE QD1 5.50 (# 4332:20 Unique 3.30, 4.29 A)
&rst
ixpk= 4332, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 65, 66, 67,
&end
#
# 76 SER HN 4 ILE QD1 5.50 (# 4333:20 Unique 4.90, 5.90 A)
&rst
ixpk= 4333, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 65, 66, 67,
&end
#
# 0 AMB 20-2:4334 4 ILE QD1 5.50 (# 4334:20 Single Ambig)
&rst
ixpk= 4334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1098,1079,
igr2= 65, 66, 67,
&end
#
# 4 ILE HN 4 ILE QD1 5.50 (# 4335:20 Unique 3.92, 4.69 A)
&rst
ixpk= 4335, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 65, 66, 67,
&end
#
# 35 ARG HN 4 ILE QD1 7.00 (# 4336:20 Unique 6.03, 6.75 A)
&rst
ixpk= 4336, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 65, 66, 67,
&end
#
# 0 AMB 20-2:4337 4 ILE QD1 5.50 (# 4337:20 Single Ambig)
&rst
ixpk= 4337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 555, 544,
igr2= 65, 66, 67,
&end
#
# 78 ASP HN 4 ILE QD1 7.00 (# 4338:20 Unique 5.30, 6.00 A)
&rst
ixpk= 4338, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 65, 66, 67,
&end
#
# 0 AMB 20-2:4339 91 ILE QD1 5.50 (# 4339:20 Single Ambig)
&rst
ixpk= 4339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1198,1182,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:4340 91 ILE QD1 5.50 (# 4340:20 Single Ambig)
&rst
ixpk= 4340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 572,1348,
igr2=1380,1381,1382,
&end
#
# 88 LYS HN 91 ILE QD1 5.50 (# 4341:20 Unique 3.98, 5.10 A)
&rst
ixpk= 4341, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1380,1381,1382,
&end
#
# 95 PHE QD 91 ILE QD1 5.50 (# 4342:20 Unique 5.35, 7.86 A)
&rst
ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1432,1440,
igr2=1380,1381,1382,
&end
#
# 6 VAL HA 91 ILE QD1 7.00 (# 4344:20 Unique 5.39, 6.48 A)
&rst
ixpk= 4344, nxpk= 20, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1380,1381,1382,
&end
#
# 89 GLN HA 91 ILE QD1 7.00 (# 4345:20 Unique 6.37, 7.51 A)
&rst
ixpk= 4345, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1380,1381,1382,
&end
#
# 87 HIS HA 91 ILE QD1 5.50 (# 4346:20 Unique 4.58, 5.30 A)
&rst
ixpk= 4346, nxpk= 20, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1380,1381,1382,
&end
#
# 94 GLN HG+ 91 ILE QD1 5.50 (# 4347:20 Unique 6.59, 7.03 A)
&rst
ixpk= 4347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1414,1415,
igr2=1380,1381,1382,
&end
#
# 99 ARG HN 92 ALA MB 5.50 (# 4349:20 Unique 3.56, 4.95 A)
&rst
ixpk= 4349, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1390,1391,1392,
&end
#
# 94 GLN HN 92 ALA MB 5.50 (# 4350:20 Unique 4.99, 5.60 A)
&rst
ixpk= 4350, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:4351 92 ALA MB 5.50 (# 4351:20 Single Ambig)
&rst
ixpk= 4351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1348,1444,
igr2=1390,1391,1392,
&end
#
# 62 LEU HN 60 ILE QG2 5.50 (# 4353:20 Unique 3.80, 5.17 A)
&rst
ixpk= 4353, nxpk= 20, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 891, 892, 893,
&end
#
# 25 ALA HN 24 ILE QD1 5.50 (# 4354:20 Unique 5.23, 5.99 A)
&rst
ixpk= 4354, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 364, 365, 366,
&end
#
# 20 LEU HN 24 ILE QD1 7.00 (# 4355:20 Unique 5.81, 7.28 A)
&rst
ixpk= 4355, nxpk= 20, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 364, 365, 366,
&end
#
# 142 ALA HN 24 ILE QD1 7.00 (# 4356:20 Unique 4.78, 5.82 A)
&rst
ixpk= 4356, nxpk= 20, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 364, 365, 366,
&end
#
# 21 PHE QE 24 ILE QD1 5.50 (# 4357:20 Unique 4.70, 7.01 A)
&rst
ixpk= 4357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 312,
igr2= 364, 365, 366,
&end
#
# 23 SER HN 24 ILE QD1 7.00 (# 4358:20 Unique 5.66, 6.78 A)
&rst
ixpk= 4358, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 364, 365, 366,
&end
#
# 135 GLU HN 24 ILE QD1 7.00 (# 4359:20 Unique 5.69, 6.51 A)
&rst
ixpk= 4359, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 364, 365, 366,
&end
#
# 4 ILE HN 79 LEU HB+ 5.50 (# 4360:20 Unique 3.80, 4.66 A)
&rst
ixpk= 4360, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1167,1168,
&end
#
# 79 LEU HA 79 LEU HB+ 4.50 (# 4362:20 Unique 2.54, 2.82 A)
&rst
ixpk= 4362, nxpk= 20, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1167,1168,
&end
#
# 0 AMB 20-2:4363 0 AMB 20-1:4363 5.50 (# 4363:20 Double Ambig)
&rst
ixpk= 4363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 11, 12,1574,1575,
igr2=1167,1168,1167,1168,
&end
#
# 78 ASP HB+ 79 LEU HB+ 5.50 (# 4364:20 Unique 3.75, 5.08 A)
&rst
ixpk= 4364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1155,1156,
igr2=1167,1168,
&end
#
# 78 ASP HB- 79 LEU HB+ 5.50 (# 4365:20 Unique 3.75, 5.08 A)
&rst
ixpk= 4365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1155,1156,
igr2=1167,1168,
&end
#
# 0 AMB 20-2:4367 130 THR HB 5.50 (# 4367:20 Single Ambig)
&rst
ixpk= 4367, nxpk= 20, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 238, 239, 240,1968,1969,
&end
#
# 133 GLU HB+ 130 THR HA 5.50 (# 4368:20 Unique 3.06, 3.64 A)
&rst
ixpk= 4368, nxpk= 20, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2035,2036,
&end
#
# 130 THR MG2 130 THR HB 5.50 (# 4369:20 Unique 2.36, 2.64 A)
&rst
ixpk= 4369, nxpk= 20, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1987,1988,1989,
&end
#
# 130 THR HN 130 THR HB 5.50 (# 4370:20 Unique 2.24, 2.35 A)
&rst
ixpk= 4370, nxpk= 20, iat=1981,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ARG HN 130 THR HB 5.50 (# 4371:20 Unique 2.56, 2.86 A)
&rst
ixpk= 4371, nxpk= 20, iat=1995,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4372 0 AMB 20-1:4372 5.50 (# 4372:20 Double Ambig)
&rst
ixpk= 4372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 402, 403,1627,1628,
igr2= 353,1722,1723,
&end
#
# 24 ILE HG1- 24 ILE HA 4.50 (# 4373:20 Unique 2.35, 2.60 A)
&rst
ixpk= 4373, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 361, 362,
&end
#
# 41 ALA MB 66 SER HB- 4.50 (# 4374:20 Unique 2.18, 3.85 A)
&rst
ixpk= 4374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 612, 613, 614,
igr2= 984, 985,
&end
#
# 106 LYS HB+ 112 SER HB+ 5.50 (# 4375:20 Unique 2.45, 4.68 A)
&rst
ixpk= 4375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1627,1628,
igr2=1722,1723,
&end
#
# 47 ALA MB 64 HIS HB- 5.50 (# 4378:20 Unique 2.69, 4.65 A)
&rst
ixpk= 4378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692,
igr2= 951, 952,
&end
#
# 47 ALA MB 64 HIS HB+ 5.50 (# 4379:20 Unique 2.69, 4.65 A)
&rst
ixpk= 4379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692,
igr2= 951, 952,
&end
#
# 0 AMB 20-2:4380 64 HIS HB- 5.50 (# 4380:20 Single Ambig)
&rst
ixpk= 4380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 927, 928, 929, 220, 221,
igr2= 951, 952,
&end
#
# 0 AMB 20-2:4381 0 AMB 20-1:4381 5.50 (# 4381:20 Double Ambig)
&rst
ixpk= 4381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 927, 928, 929, 220, 221,
igr2= 951, 952, 951, 952,
&end
#
# 62 LEU QD1 64 HIS HB+ 5.50 (# 4382:20 Unique 4.66, 5.58 A)
&rst
ixpk= 4382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925,
igr2= 951, 952,
&end
#
# 131 ARG HB+ 16 MET HB+ 5.50 (# 4384:20 Unique 4.63, 5.79 A)
&rst
ixpk= 4384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1999,2000,
igr2= 231, 232,
&end
#
# 16 MET HE1 16 MET HB+ 3.50 (# 4385:20 Unique 2.32, 3.43 A)
&rst
ixpk= 4385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 238, 239, 240,
igr2= 231, 232,
&end
#
# 83 MET HG+ 83 MET HB+ 5.50 (# 4389:20 Unique 2.31, 2.63 A)
&rst
ixpk= 4389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1234,1235,
igr2=1231,1232,
&end
#
# 0 AMB 20-2:4390 0 AMB 20-1:4390 5.50 (# 4390:20 Double Ambig)
&rst
ixpk= 4390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1227,1244,
igr2=1231,1232,1231,1232,
&end
#
# 107 GLU HB- 107 GLU HG+ 5.50 (# 4394:20 Unique 2.44, 2.75 A)
&rst
ixpk= 4394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1649,1650,
igr2=1652,1653,
&end
#
# 104 THR MG2 107 GLU HG+ 5.50 (# 4395:20 Unique 6.52, 7.04 A)
&rst
ixpk= 4395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1596,1597,1598,
igr2=1652,1653,
&end
#
# 32 VAL MG1 30 LEU HB+ 5.50 (# 4397:20 Unique 2.66, 4.62 A)
&rst
ixpk= 4397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 480, 481, 482,
igr2= 445, 446,
&end
#
# 32 VAL MG1 30 LEU HB- 5.50 (# 4398:20 Unique 2.66, 4.62 A)
&rst
ixpk= 4398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 480, 481, 482,
igr2= 445, 446,
&end
#
# 0 AMB 20-2:4401 20 LEU HB- 5.50 (# 4401:20 Single Ambig)
&rst
ixpk= 4401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 355,
igr2= 283, 284,
&end
#
# 32 VAL MG1 1 MET HB+ 4.50 (# 4402:20 Unique 2.28, 4.34 A)
&rst
ixpk= 4402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 480, 481, 482,
igr2= 8, 9,
&end
#
# 32 VAL MG1 1 MET HB- 5.50 (# 4403:20 Unique 2.28, 4.34 A)
&rst
ixpk= 4403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 480, 481, 482,
igr2= 8, 9,
&end
#
# 32 VAL MG1 1 MET HG+ 4.50 (# 4404:20 Unique 2.54, 3.77 A)
&rst
ixpk= 4404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 480, 481, 482,
igr2= 11, 12,
&end
#
# 79 LEU HB+ 1 MET HG+ 5.50 (# 4405:20 Unique 4.55, 5.16 A)
&rst
ixpk= 4405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1167,1168,
igr2= 11, 12,
&end
#
# 70 THR MG2 68 PRO HB+ 5.50 (# 4406:20 Unique 2.30, 4.16 A)
&rst
ixpk= 4406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1041,1042,1043,
igr2=1009,1010,
&end
#
# 78 ASP HN 1 MET HG+ 7.00 (# 4407:20 Unique 5.65, 6.56 A)
&rst
ixpk= 4407, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 11, 12,
&end
#
# 79 LEU HN 1 MET HG+ 5.50 (# 4408:20 Unique 5.57, 6.30 A)
&rst
ixpk= 4408, nxpk= 20, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 2 ASP HA 1 MET HG+ 5.50 (# 4409:20 Unique 3.29, 4.65 A)
&rst
ixpk= 4409, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 3 ILE QG2 1 MET HG+ 5.50 (# 4410:20 Unique 5.53, 6.70 A)
&rst
ixpk= 4410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 39, 40, 41,
igr2= 11, 12,
&end
#
# 79 LEU MD1 1 MET HG+ 5.50 (# 4411:20 Unique 6.50, 7.57 A)
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1172,1173,1174,
igr2= 11, 12,
&end
#
# 79 LEU MD1 1 MET HG+ 7.00 (# 4412:20 Unique 6.50, 7.57 A)
&rst
ixpk= 4412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1172,1173,1174,
igr2= 11, 12,
&end
#
# 3 ILE HG1+ 2 ASP HA 5.50 (# 4413:20 Unique 3.25, 4.01 A)
&rst
ixpk= 4413, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 43, 44,
&end
#
# 79 LEU MD2 3 ILE HG1+ 4.50 (# 4414:20 Unique 2.34, 4.23 A)
&rst
ixpk= 4414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1176,1177,1178,
igr2= 43, 44,
&end
#
# 79 LEU MD2 3 ILE HG1- 5.50 (# 4415:20 Unique 2.34, 4.23 A)
&rst
ixpk= 4415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,
igr2= 43, 44,
&end
#
# 0 AMB 20-2:4416 0 AMB 20-1:4416 5.50 (# 4416:20 Double Ambig)
&rst
ixpk= 4416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 52, 254,
igr2= 43, 44, 217, 218,
&end
#
# 4 ILE HN 3 ILE HG1+ 5.50 (# 4417:20 Unique 4.70, 5.05 A)
&rst
ixpk= 4417, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 43, 44,
&end
#
# 3 ILE HN 3 ILE HG1+ 5.50 (# 4418:20 Unique 2.34, 3.08 A)
&rst
ixpk= 4418, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 43, 44,
&end
#
# 2 ASP HB+ 4 ILE HG1- 5.50 (# 4419:20 Unique 4.81, 6.48 A)
&rst
ixpk= 4419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 25, 26,
igr2= 62, 63,
&end
#
# 77 ALA HA 4 ILE HG1- 5.50 (# 4420:20 Unique 4.43, 5.02 A)
&rst
ixpk= 4420, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 62, 63,
&end
#
# 36 SER HA 4 ILE HG1- 7.00 (# 4421:20 Unique 5.03, 5.95 A)
&rst
ixpk= 4421, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 62, 63,
&end
#
# 0 AMB 20-2:4423 138 LEU HA 5.50 (# 4423:20 Single Ambig)
&rst
ixpk= 4423, nxpk= 20, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2157,1668,
&end
#
# 0 AMB 20-2:4424 138 LEU HA 5.50 (# 4424:20 Single Ambig)
&rst
ixpk= 4424, nxpk= 20, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 308, 312, 81, 85,
&end
#
# 142 ALA HN 138 LEU HA 5.50 (# 4425:20 Unique 3.75, 3.90 A)
&rst
ixpk= 4425, nxpk= 20, iat=2193,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4427 6 VAL HA 5.50 (# 4427:20 Single Ambig)
&rst
ixpk= 4427, nxpk= 20, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60,1025,1026,1027,
&end
#
# 14 SER HB+ 6 VAL HA 5.50 (# 4428:20 Unique 3.02, 3.71 A)
&rst
ixpk= 4428, nxpk= 20, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 206, 207,
&end
#
# 0 AMB 20-2:4429 6 VAL HB 5.50 (# 4429:20 Single Ambig)
&rst
ixpk= 4429, nxpk= 20, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 578, 579, 580,1202,1203,
&end
#
# 82 ALA MB 6 VAL HB 5.50 (# 4430:20 Unique 5.27, 6.38 A)
&rst
ixpk= 4430, nxpk= 20, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1221,1222,1223,
&end
#
# 7 CYS HN 6 VAL HB 5.50 (# 4431:20 Unique 3.65, 3.95 A)
&rst
ixpk= 4431, nxpk= 20, iat= 107, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HB- 103 PHE HB- 5.50 (# 4438:20 Unique 2.27, 3.29 A)
&rst
ixpk= 4438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1664,1665,
igr2=1574,1575,
&end
#
# 108 TYR HB- 103 PHE HB+ 5.50 (# 4439:20 Unique 2.27, 3.29 A)
&rst
ixpk= 4439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1664,1665,
igr2=1574,1575,
&end
#
# 103 PHE HA 103 PHE HB- 5.50 (# 4441:20 Unique 2.47, 2.77 A)
&rst
ixpk= 4441, nxpk= 20, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 103 PHE HD2 103 PHE HB- 5.50 (# 4442:20 Unique 2.40, 3.07 A)
&rst
ixpk= 4442, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:4443 103 PHE HB- 7.00 (# 4443:20 Single Ambig)
&rst
ixpk= 4443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1580,1584,1668,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:4444 0 AMB 20-1:4444 5.50 (# 4444:20 Double Ambig)
&rst
ixpk= 4444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 478,2265,2266,
igr2= 445, 446, 445, 446,
&end
#
# 0 AMB 20-2:4445 30 LEU HB- 5.50 (# 4445:20 Single Ambig)
&rst
ixpk= 4445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 478,2265,2266,
igr2= 445, 446,
&end
#
# 2 ASP HN 78 ASP HB- 5.50 (# 4454:20 Unique 1.93, 2.59 A)
&rst
ixpk= 4454, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 78 ASP HN 78 ASP HB- 5.50 (# 4455:20 Unique 2.59, 2.84 A)
&rst
ixpk= 4455, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 1 MET HA 78 ASP HB+ 5.50 (# 4456:20 Unique 2.41, 3.24 A)
&rst
ixpk= 4456, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 1 MET HA 78 ASP HB- 5.50 (# 4457:20 Unique 2.41, 3.24 A)
&rst
ixpk= 4457, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 77 ALA HA 78 ASP HB+ 5.50 (# 4458:20 Unique 3.98, 4.36 A)
&rst
ixpk= 4458, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:4459 0 AMB 20-1:4459 5.50 (# 4459:20 Double Ambig)
&rst
ixpk= 4459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1143,1783,
igr2=1155,1156,1757,1758,
&end
#
# 0 AMB 20-2:4460 78 ASP HB- 5.50 (# 4460:20 Single Ambig)
&rst
ixpk= 4460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 15, 16, 17, 8, 9,
igr2=1155,1156,
&end
#
# 35 ARG HN 35 ARG HD+ 7.00 (# 4461:20 Unique 2.70, 4.32 A)
&rst
ixpk= 4461, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 530, 531,
&end
#
# 2 ASP HB- 35 ARG HD+ 5.50 (# 4462:20 Unique 4.57, 6.26 A)
&rst
ixpk= 4462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 25, 26,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:4463 0 AMB 20-1:4463 3.00 (# 4463:20 Double Ambig)
&rst
ixpk= 4463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1503,1504, 402, 403,1999,2000,
igr2=1506,1507, 405, 406,2005,2006,
&end
#
# 92 ALA MB 99 ARG HD+ 4.50 (# 4464:20 Unique 2.19, 4.02 A)
&rst
ixpk= 4464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1390,1391,1392,
igr2=1506,1507,
&end
#
# 0 AMB 20-2:4465 0 AMB 20-1:4465 4.50 (# 4465:20 Double Ambig)
&rst
ixpk= 4465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1923,1498,1388,
igr2=2005,2006,1506,1507,1506,1507,
&end
#
# 0 AMB 20-2:4466 0 AMB 20-1:4466 5.50 (# 4466:20 Double Ambig)
&rst
ixpk= 4466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1520, 782,2046, 811,
igr2=1506,1507,2005,2006,
&end
#
# 138 LEU HN 137 LEU HB- 5.50 (# 4467:20 Unique 2.47, 3.18 A)
&rst
ixpk= 4467, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 138 LEU HN 137 LEU HB+ 7.00 (# 4468:20 Unique 2.47, 3.18 A)
&rst
ixpk= 4468, nxpk= 20, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2099,2100,
&end
#
# 137 LEU HN 137 LEU HB+ 5.50 (# 4469:20 Unique 2.41, 2.54 A)
&rst
ixpk= 4469, nxpk= 20, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 137 LEU HN 137 LEU HB- 5.50 (# 4470:20 Unique 2.41, 2.54 A)
&rst
ixpk= 4470, nxpk= 20, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 137 LEU HA 137 LEU HB- 5.50 (# 4471:20 Unique 2.54, 2.81 A)
&rst
ixpk= 4471, nxpk= 20, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2099,2100,
&end
#
# 52 VAL MG2 62 LEU HB- 4.50 (# 4472:20 Unique 2.15, 3.87 A)
&rst
ixpk= 4472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 761, 762, 763,
igr2= 918, 919,
&end
#
# 52 VAL MG2 62 LEU HB- 4.50 (# 4473:20 Unique 2.15, 3.87 A)
&rst
ixpk= 4473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 761, 762, 763,
igr2= 918, 919,
&end
#
# 0 AMB 20-2:4474 0 AMB 20-1:4474 3.50 (# 4474:20 Double Ambig)
&rst
ixpk= 4474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2104,2105,2106, 801, 802, 803,
igr2=2099,2100, 918, 919,
&end
#
# 0 AMB 20-2:4475 0 AMB 20-1:4475 5.50 (# 4475:20 Double Ambig)
&rst
ixpk= 4475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 801, 802, 803, 234, 235,
igr2= 918, 919, 918, 919,
&end
#
# 0 AMB 20-2:4476 0 AMB 20-1:4476 4.50 (# 4476:20 Double Ambig)
&rst
ixpk= 4476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1611, 288, 289, 290, 898, 899, 900,
igr2=2099,2100, 918, 919,
&end
#
# 78 ASP HN 2 ASP HB- 5.50 (# 4477:20 Unique 2.39, 3.42 A)
&rst
ixpk= 4477, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 2 ASP HA 2 ASP HB- 4.50 (# 4478:20 Unique 2.39, 2.73 A)
&rst
ixpk= 4478, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 77 ALA HA 2 ASP HB- 3.50 (# 4479:20 Unique 2.04, 2.80 A)
&rst
ixpk= 4479, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 101 LYS HG+ 101 LYS HE- 5.50 (# 4480:20 Unique 2.39, 2.97 A)
&rst
ixpk= 4480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1539,1540,
igr2=1545,1546,
&end
#
# 101 LYS HB- 101 LYS HE+ 5.50 (# 4481:20 Unique 2.25, 3.93 A)
&rst
ixpk= 4481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,
igr2=1545,1546,
&end
#
# 98 TYR HB+ 101 LYS HE+ 5.50 (# 4482:20 Unique 3.54, 5.35 A)
&rst
ixpk= 4482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1479,1480,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:4484 101 LYS HE- 7.00 (# 4484:20 Single Ambig)
&rst
ixpk= 4484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1534,1165,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:4485 117 LEU HB- 4.50 (# 4485:20 Single Ambig)
&rst
ixpk= 4485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1783,1985,
igr2=1785,1786,
&end
#
# 116 VAL HA 117 LEU HB- 5.50 (# 4486:20 Unique 3.75, 4.81 A)
&rst
ixpk= 4486, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 117 LEU HG 117 LEU HB- 3.50 (# 4488:20 Unique 2.38, 2.81 A)
&rst
ixpk= 4488, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1785,1786,
&end
#
# 117 LEU MD2 117 LEU HB+ 3.50 (# 4489:20 Unique 2.35, 3.51 A)
&rst
ixpk= 4489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1794,1795,1796,
igr2=1785,1786,
&end
#
# 117 LEU MD1 117 LEU HB- 3.50 (# 4490:20 Unique 2.35, 3.11 A)
&rst
ixpk= 4490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1790,1791,1792,
igr2=1785,1786,
&end
#
# 117 LEU MD2 117 LEU HB- 4.50 (# 4491:20 Unique 2.35, 3.51 A)
&rst
ixpk= 4491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1794,1795,1796,
igr2=1785,1786,
&end
#
# 116 VAL MG1 117 LEU HB- 5.50 (# 4492:20 Unique 2.72, 4.55 A)
&rst
ixpk= 4492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1771,1772,1773,
igr2=1785,1786,
&end
#
# 69 LEU HG 69 LEU HB- 5.50 (# 4493:20 Unique 2.35, 2.70 A)
&rst
ixpk= 4493, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1020,1021,
&end
#
# 118 ASP HN 118 ASP HB- 4.50 (# 4494:20 Unique 2.33, 2.68 A)
&rst
ixpk= 4494, nxpk= 20, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1804,1805,
&end
#
# 5 PHE QD 5 PHE HB+ 4.50 (# 4495:20 Unique 2.38, 3.09 A)
&rst
ixpk= 4495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 79, 87,
igr2= 75, 76,
&end
#
# 5 PHE HA 5 PHE HB+ 5.50 (# 4496:20 Unique 2.49, 2.79 A)
&rst
ixpk= 4496, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 75, 76,
&end
#
# 0 AMB 20-2:4497 0 AMB 20-1:4497 3.00 (# 4497:20 Double Ambig)
&rst
ixpk= 4497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1952,1953,2213,2214,2293,2294,
igr2=1955,1956,2216,2217,2296,2297,
&end
#
# 0 AMB 20-2:4498 0 AMB 20-1:4498 3.00 (# 4498:20 Double Ambig)
&rst
ixpk= 4498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1949,1950,2210,2211,
igr2=1955,1956,2216,2217,
&end
#
# 0 AMB 20-2:4499 0 AMB 20-1:4499 5.50 (# 4499:20 Double Ambig)
&rst
ixpk= 4499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1976,1977,2203,
igr2=1955,1956,2216,2217,
&end
#
# 142 ALA HA 145 LEU HB- 5.50 (# 4500:20 Unique 2.48, 3.62 A)
&rst
ixpk= 4500, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2246,2247,
&end
#
# 145 LEU HA 145 LEU HB- 4.50 (# 4501:20 Unique 2.42, 2.77 A)
&rst
ixpk= 4501, nxpk= 20, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2246,2247,
&end
#
# 0 AMB 20-2:4502 145 LEU HB- 3.50 (# 4502:20 Single Ambig)
&rst
ixpk= 4502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2249, 15, 16, 17,
igr2=2246,2247,
&end
#
# 20 LEU HB- 58 LYS HE+ 5.50 (# 4503:20 Unique 4.90, 6.02 A)
&rst
ixpk= 4503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 283, 284,
igr2= 859, 860,
&end
#
# 0 AMB 20-2:4504 0 AMB 20-1:4504 5.50 (# 4504:20 Double Ambig)
&rst
ixpk= 4504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1864,1865,1904,
igr2=1894,1895,1894,1895,
&end
#
# 83 MET HB- 84 THR MG2 5.50 (# 4524:20 Unique 3.03, 4.74 A)
&rst
ixpk= 4524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1231,1232,
igr2=1250,1251,1252,
&end
#
# 106 LYS HE+ 116 VAL MG2 5.50 (# 4525:20 Unique 2.18, 4.10 A)
&rst
ixpk= 4525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1636,1637,
igr2=1775,1776,1777,
&end
#
# 82 ALA HA 6 VAL HB 5.50 (# 4526:20 Unique 4.69, 4.80 A)
&rst
ixpk= 4526, nxpk= 20, iat=1219, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE QD 107 GLU HG+ 5.50 (# 4527:20 Unique 2.49, 5.64 A)
&rst
ixpk= 4527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1578,1586,
igr2=1652,1653,
&end
#
# 103 PHE HA 107 GLU HG+ 5.50 (# 4528:20 Unique 4.13, 4.94 A)
&rst
ixpk= 4528, nxpk= 20, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1652,1653,
&end
#
# 107 GLU HA 107 GLU HG+ 5.50 (# 4529:20 Unique 2.64, 2.96 A)
&rst
ixpk= 4529, nxpk= 20, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1652,1653,
&end
#
# 103 PHE HB+ 107 GLU HG+ 5.50 (# 4530:20 Unique 3.21, 5.16 A)
&rst
ixpk= 4530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1574,1575,
igr2=1652,1653,
&end
#
# 103 PHE HB- 107 GLU HG+ 5.50 (# 4531:20 Unique 3.21, 5.16 A)
&rst
ixpk= 4531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1574,1575,
igr2=1652,1653,
&end
#
# 73 LEU HN 72 GLU HG+ 5.50 (# 4532:20 Unique 2.47, 2.64 A)
&rst
ixpk= 4532, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1071,1072,
&end
#
# 68 PRO HD- 68 PRO HB+ 5.50 (# 4533:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1004,
igr2=1009,1010,
&end
#
# 68 PRO HD+ 68 PRO HB+ 5.50 (# 4534:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1004,
igr2=1009,1010,
&end
#
# 69 LEU HN 68 PRO HB+ 5.50 (# 4535:20 Unique 2.86, 3.37 A)
&rst
ixpk= 4535, nxpk= 20, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1009,1010,
&end
#
# 51 ALA HA 52 VAL HB 5.50 (# 4536:20 Unique 5.50, 5.51 A)
&rst
ixpk= 4536, nxpk= 20, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4537 0 AMB 20-1:4537 5.50 (# 4537:20 Double Ambig)
&rst
ixpk= 4537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1570, 991,
igr2=1186,1009,1010,
&end
#
# 89 GLN HG+ 92 ALA MB 5.50 (# 4538:20 Unique 4.33, 5.76 A)
&rst
ixpk= 4538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1338,1339,
igr2=1390,1391,1392,
&end
#
# 89 GLN HG- 92 ALA MB 5.50 (# 4539:20 Unique 4.33, 5.76 A)
&rst
ixpk= 4539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1338,1339,
igr2=1390,1391,1392,
&end
#
# 95 PHE HB- 92 ALA MB 5.50 (# 4540:20 Unique 5.18, 6.56 A)
&rst
ixpk= 4540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1428,1429,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:4541 92 ALA MB 5.50 (# 4541:20 Single Ambig)
&rst
ixpk= 4541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1311,1369,
igr2=1390,1391,1392,
&end
#
# 0 AMB 20-2:4543 65 VAL MG2 5.50 (# 4543:20 Single Ambig)
&rst
ixpk= 4543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 937, 938, 647, 648,
igr2= 974, 975, 976,
&end
#
# 44 ASN HB+ 65 VAL MG2 5.50 (# 4544:20 Unique 6.30, 7.65 A)
&rst
ixpk= 4544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 647, 648,
igr2= 974, 975, 976,
&end
#
# 0 AMB 20-2:4546 104 THR MG2 5.50 (# 4546:20 Single Ambig)
&rst
ixpk= 4546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1309,1765,
igr2=1596,1597,1598,
&end
#
# 85 HIS HD2 104 THR MG2 5.50 (# 4547:20 Unique 3.35, 5.14 A)
&rst
ixpk= 4547, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1596,1597,1598,
&end
#
# 105 LEU HN 104 THR MG2 5.50 (# 4548:20 Unique 2.25, 3.12 A)
&rst
ixpk= 4548, nxpk= 20, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1596,1597,1598,
&end
#
# 84 THR HA 104 THR MG2 5.50 (# 4549:20 Unique 2.49, 2.95 A)
&rst
ixpk= 4549, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1596,1597,1598,
&end
#
# 85 HIS HB+ 104 THR MG2 5.50 (# 4550:20 Unique 2.54, 4.79 A)
&rst
ixpk= 4550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1262,1263,
igr2=1596,1597,1598,
&end
#
# 85 HIS HB- 104 THR MG2 5.50 (# 4551:20 Unique 2.54, 4.79 A)
&rst
ixpk= 4551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1262,1263,
igr2=1596,1597,1598,
&end
#
# 0 AMB 20-2:4552 104 THR MG2 5.50 (# 4552:20 Single Ambig)
&rst
ixpk= 4552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1231,1232,1652,1653,
igr2=1596,1597,1598,
&end
#
# 88 LYS HA 104 THR MG2 5.50 (# 4553:20 Unique 5.83, 6.94 A)
&rst
ixpk= 4553, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1596,1597,1598,
&end
#
# 84 THR MG2 104 THR MG2 5.50 (# 4554:20 Unique 4.90, 5.96 A)
&rst
ixpk= 4554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1250,1251,1252,
igr2=1596,1597,1598,
&end
#
# 88 LYS HB+ 104 THR MG2 5.50 (# 4555:20 Unique 3.70, 5.07 A)
&rst
ixpk= 4555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1313,1314,
igr2=1596,1597,1598,
&end
#
# 68 PRO HB+ 39 VAL MG1 7.00 (# 4556:20 Unique 6.66, 7.78 A)
&rst
ixpk= 4556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1009,1010,
igr2= 578, 579, 580,
&end
#
# 2 ASP HA 32 VAL MG1 5.50 (# 4557:20 Unique 5.35, 6.15 A)
&rst
ixpk= 4557, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 480, 481, 482,
&end
#
# 21 PHE HD2 32 VAL MG1 4.50 (# 4558:20 Unique 4.00, 5.13 A)
&rst
ixpk= 4558, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 480, 481, 482,
&end
#
# 31 ASN HD2+ 32 VAL MG1 5.50 (# 4559:20 Unique 5.53, 7.36 A)
&rst
ixpk= 4559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 469, 470,
igr2= 480, 481, 482,
&end
#
# 66 SER HB+ 65 VAL MG2 7.00 (# 4560:20 Unique 6.66, 7.96 A)
&rst
ixpk= 4560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 984, 985,
igr2= 974, 975, 976,
&end
#
# 66 SER HA 41 ALA MB 5.50 (# 4561:20 Unique 4.17, 5.32 A)
&rst
ixpk= 4561, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 612, 613, 614,
&end
#
# 106 LYS HE+ 116 VAL MG1 5.50 (# 4563:20 Unique 3.80, 5.57 A)
&rst
ixpk= 4563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1636,1637,
igr2=1771,1772,1773,
&end
#
# 0 AMB 20-2:4566 102 VAL MG2 5.50 (# 4566:20 Single Ambig)
&rst
ixpk= 4566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1432,1440,1496,
igr2=1564,1565,1566,
&end
#
# 103 PHE QD 102 VAL MG2 5.50 (# 4567:20 Unique 5.82, 7.79 A)
&rst
ixpk= 4567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1578,1586,
igr2=1564,1565,1566,
&end
#
# 4 ILE HG1- 80 VAL MG1 5.50 (# 4568:20 Unique 4.65, 6.29 A)
&rst
ixpk= 4568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 62, 63,
igr2=1188,1189,1190,
&end
#
# 0 AMB 20-2:4569 80 VAL MG1 5.50 (# 4569:20 Single Ambig)
&rst
ixpk= 4569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1311,1369,
igr2=1188,1189,1190,
&end
#
# 99 ARG HA 80 VAL MG1 6.00 (# 4570:20 Unique 6.03, 6.89 A)
&rst
ixpk= 4570, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1188,1189,1190,
&end
#
# 0 AMB 20-2:4571 80 VAL MG1 5.50 (# 4571:20 Single Ambig)
&rst
ixpk= 4571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1165,1534,
igr2=1188,1189,1190,
&end
#
# 81 LEU HA 80 VAL MG1 7.00 (# 4573:20 Unique 4.07, 5.15 A)
&rst
ixpk= 4573, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1188,1189,1190,
&end
#
# 5 PHE HA 80 VAL MG1 5.50 (# 4574:20 Unique 5.13, 5.98 A)
&rst
ixpk= 4574, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1188,1189,1190,
&end
#
# 102 VAL HN 80 VAL MG1 7.00 (# 4575:20 Unique 5.55, 6.19 A)
&rst
ixpk= 4575, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1188,1189,1190,
&end
#
# 0 AMB 20-2:4576 80 VAL MG1 7.00 (# 4576:20 Single Ambig)
&rst
ixpk= 4576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1432,1440,1163,
igr2=1188,1189,1190,
&end
#
# 0 AMB 20-2:4578 79 LEU MD1 5.50 (# 4578:20 Single Ambig)
&rst
ixpk= 4578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1165,1534,
igr2=1172,1173,1174,
&end
#
# 103 PHE HN 79 LEU MD1 7.00 (# 4580:20 Unique 4.48, 5.27 A)
&rst
ixpk= 4580, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1172,1173,1174,
&end
#
# 126 ILE QG2 119 PRO HB- 5.50 (# 4581:20 Unique 2.32, 3.81 A)
&rst
ixpk= 4581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1908,1909,1910,
igr2=1819,1820,
&end
#
# 127 TYR HA 119 PRO HB- 7.00 (# 4583:20 Unique 2.38, 2.70 A)
&rst
ixpk= 4583, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1819,1820,
&end
#
# 119 PRO HA 119 PRO HB- 5.50 (# 4584:20 Unique 2.34, 2.53 A)
&rst
ixpk= 4584, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1819,1820,
&end
#
# 109 VAL HN 81 LEU HG 7.00 (# 4585:20 Unique 6.28, 6.80 A)
&rst
ixpk= 4585, nxpk= 20, iat=1681,1205, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:4586 81 LEU HG 5.50 (# 4586:20 Single Ambig)
&rst
ixpk= 4586, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1668,1580,1584,
&end
#
# 5 PHE QD 81 LEU HG 5.50 (# 4587:20 Unique 5.42, 7.04 A)
&rst
ixpk= 4587, nxpk= 20, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 87,
&end
#
# 0 AMB 20-2:4589 0 AMB 20-1:4589 5.50 (# 4589:20 Double Ambig)
&rst
ixpk= 4589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1369, 372,
igr2= 578, 579, 580, 480, 481, 482,
&end
#
# 32 VAL HB 32 VAL MG1 3.00 (# 4590:20 Unique 2.35, 2.63 A)
&rst
ixpk= 4590, nxpk= 20, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 480, 481, 482,
&end
#
# 0 AMB 20-2:4591 32 VAL MG1 5.50 (# 4591:20 Single Ambig)
&rst
ixpk= 4591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 33, 504,
igr2= 480, 481, 482,
&end
#
# 0 AMB 20-2:4592 60 ILE QG2 5.50 (# 4592:20 Single Ambig)
&rst
ixpk= 4592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 868, 792,
igr2= 891, 892, 893,
&end
#
# 0 AMB 20-2:4593 24 ILE QG2 3.60 (# 4593:20 Single Ambig)
&rst
ixpk= 4593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2140,2141, 399, 400,
igr2= 357, 358, 359,
&end
#
# 139 ARG HN 24 ILE QG2 5.50 (# 4594:20 Unique 4.12, 5.57 A)
&rst
ixpk= 4594, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 357, 358, 359,
&end
#
# 87 HIS HB+ 90 ILE QD1 5.50 (# 4595:20 Unique 4.10, 5.99 A)
&rst
ixpk= 4595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1296,1297,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:4596 90 ILE QD1 5.50 (# 4596:20 Single Ambig)
&rst
ixpk= 4596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1311,1369,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:4597 90 ILE QD1 5.50 (# 4597:20 Single Ambig)
&rst
ixpk= 4597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 120, 574,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:4598 90 ILE QD1 5.50 (# 4598:20 Single Ambig)
&rst
ixpk= 4598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1400,1401,1333,
igr2=1361,1362,1363,
&end
#
# 75 GLU HG+ 74 MET HE 5.50 (# 4600:20 Unique 5.23, 6.90 A)
&rst
ixpk= 4600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1122,1123,
igr2=1109,1110,1111,
&end
#
# 101 LYS HE+ 74 MET HE 5.50 (# 4602:20 Unique 2.49, 4.76 A)
&rst
ixpk= 4602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1545,1546,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:4605 16 MET HE1 5.50 (# 4605:20 Single Ambig)
&rst
ixpk= 4605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1813, 859, 860,
igr2= 238, 239, 240,
&end
#
# 119 PRO HA 16 MET HE1 7.00 (# 4607:20 Unique 6.61, 7.96 A)
&rst
ixpk= 4607, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 238, 239, 240,
&end
#
# 51 ALA HN 16 MET HE1 5.50 (# 4608:20 Unique 6.02, 6.71 A)
&rst
ixpk= 4608, nxpk= 20, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 21 PHE HN 19 ALA MB 5.50 (# 4609:20 Unique 5.04, 5.58 A)
&rst
ixpk= 4609, nxpk= 20, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 273, 274, 275,
&end
#
# 61 ALA HN 61 ALA MB 3.50 (# 4610:20 Unique 2.97, 3.56 A)
&rst
ixpk= 4610, nxpk= 20, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 908, 909, 910,
&end
#
# 18 GLU HN 19 ALA MB 5.50 (# 4611:20 Unique 4.95, 5.53 A)
&rst
ixpk= 4611, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 273, 274, 275,
&end
#
# 17 ALA HN 19 ALA MB 5.50 (# 4612:20 Unique 5.30, 6.24 A)
&rst
ixpk= 4612, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 273, 274, 275,
&end
#
# 16 MET HN 19 ALA MB 7.00 (# 4613:20 Unique 5.26, 6.04 A)
&rst
ixpk= 4613, nxpk= 20, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 273, 274, 275,
&end
#
# 23 SER HN 19 ALA MB 7.00 (# 4614:20 Unique 5.13, 5.75 A)
&rst
ixpk= 4614, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 273, 274, 275,
&end
#
# 62 LEU HA 19 ALA MB 5.50 (# 4615:20 Unique 2.72, 3.72 A)
&rst
ixpk= 4615, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 273, 274, 275,
&end
#
# 0 AMB 20-2:4616 19 ALA MB 5.50 (# 4616:20 Single Ambig)
&rst
ixpk= 4616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 246, 753,
igr2= 273, 274, 275,
&end
#
# 18 GLU HB+ 19 ALA MB 5.50 (# 4617:20 Unique 3.96, 5.80 A)
&rst
ixpk= 4617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 258, 259,
igr2= 273, 274, 275,
&end
#
# 22 LYS HE- 19 ALA MB 5.50 (# 4618:20 Unique 4.43, 7.29 A)
&rst
ixpk= 4618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332,
igr2= 273, 274, 275,
&end
#
# 0 AMB 20-2:4621 83 MET HE 5.50 (# 4621:20 Single Ambig)
&rst
ixpk= 4621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 246, 548, 549,
igr2=1238,1239,1240,
&end
#
# 7 CYS HA 83 MET HE 5.50 (# 4624:20 Unique 4.61, 6.15 A)
&rst
ixpk= 4624, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 81 LEU HA 83 MET HE 7.00 (# 4625:20 Unique 5.41, 6.90 A)
&rst
ixpk= 4625, nxpk= 20, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1238,1239,1240,
&end
#
# 7 CYS HN 83 MET HE 5.50 (# 4626:20 Unique 4.77, 6.08 A)
&rst
ixpk= 4626, nxpk= 20, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 18 GLU HN 83 MET HE 5.50 (# 4627:20 Unique 5.01, 6.41 A)
&rst
ixpk= 4627, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 17 ALA HN 83 MET HE 5.50 (# 4628:20 Unique 4.16, 5.50 A)
&rst
ixpk= 4628, nxpk= 20, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 82 ALA HN 83 MET HE 5.50 (# 4630:20 Unique 4.94, 6.64 A)
&rst
ixpk= 4630, nxpk= 20, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 133 GLU HG- 116 VAL MG2 5.50 (# 4632:20 Unique 2.40, 4.90 A)
&rst
ixpk= 4632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2038,2039,
igr2=1775,1776,1777,
&end
#
# 117 LEU HA 116 VAL MG2 7.00 (# 4633:20 Unique 6.53, 7.00 A)
&rst
ixpk= 4633, nxpk= 20, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1775,1776,1777,
&end
#
# 115 ASP HA 116 VAL MG2 5.50 (# 4634:20 Unique 3.45, 4.67 A)
&rst
ixpk= 4634, nxpk= 20, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1775,1776,1777,
&end
#
# 87 HIS HN 84 THR MG2 5.50 (# 4635:20 Unique 4.11, 4.92 A)
&rst
ixpk= 4635, nxpk= 20, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1250,1251,1252,
&end
#
# 115 ASP HB- 84 THR MG2 4.50 (# 4636:20 Unique 2.28, 4.16 A)
&rst
ixpk= 4636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1757,1758,
igr2=1250,1251,1252,
&end
#
# 67 SER HB- 37 ALA MB 4.50 (# 4637:20 Unique 3.94, 5.61 A)
&rst
ixpk= 4637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 995, 996,
igr2= 559, 560, 561,
&end
#
# 113 HIS HA 107 GLU HB+ 5.50 (# 4638:20 Unique 2.17, 3.51 A)
&rst
ixpk= 4638, nxpk= 20, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1649,1650,
&end
#
# 107 GLU HG+ 107 GLU HB+ 5.50 (# 4639:20 Unique 2.44, 2.75 A)
&rst
ixpk= 4639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1652,1653,
igr2=1649,1650,
&end
#
# 143 LYS HD+ 140 GLN HB- 3.50 (# 4640:20 Unique 4.22, 6.78 A)
&rst
ixpk= 4640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2213,2214,
igr2=2161,2162,
&end
#
# 0 AMB 20-2:4641 0 AMB 20-1:4641 5.50 (# 4641:20 Double Ambig)
&rst
ixpk= 4641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1309,1396,2095,
igr2=1335,1336,2161,2162,
&end
#
# 130 THR HA 133 GLU HB+ 5.50 (# 4642:20 Unique 3.06, 3.64 A)
&rst
ixpk= 4642, nxpk= 20, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2035,2036,
&end
#
# 75 GLU HN 72 GLU HB+ 5.50 (# 4645:20 Unique 5.30, 5.49 A)
&rst
ixpk= 4645, nxpk= 20, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1068,1069,
&end
#
# 95 PHE HD2 94 GLN HB- 5.50 (# 4646:20 Unique 3.66, 4.46 A)
&rst
ixpk= 4646, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,
&end
#
# 13 ARG HE 13 ARG HG+ 5.50 (# 4647:20 Unique 2.68, 3.32 A)
&rst
ixpk= 4647, nxpk= 20, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 185, 186,
&end
#
# 97 ARG HN 97 ARG HB+ 5.50 (# 4648:20 Unique 2.84, 3.32 A)
&rst
ixpk= 4648, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1455,1456,
&end
#
# 97 ARG HN 97 ARG HB- 5.50 (# 4649:20 Unique 2.84, 3.32 A)
&rst
ixpk= 4649, nxpk= 20, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1455,1456,
&end
#
# 40 PHE QD 39 VAL HB 5.50 (# 4653:20 Unique 2.61, 4.29 A)
&rst
ixpk= 4653, nxpk= 20, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 596, 604,
&end
#
# 123 SER HN 126 ILE HB 5.50 (# 4654:20 Unique 3.18, 3.28 A)
&rst
ixpk= 4654, nxpk= 20, iat=1860,1906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HN 17 ALA HA 5.50 (# 4655:20 Unique 3.43, 3.49 A)
&rst
ixpk= 4655, nxpk= 20, iat= 279, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 17 ALA HA 7.00 (# 4656:20 Unique 3.55, 3.56 A)
&rst
ixpk= 4656, nxpk= 20, iat= 254, 246, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 146 LYS HN 143 LYS HA 5.50 (# 4657:20 Unique 3.25, 3.45 A)
&rst
ixpk= 4657, nxpk= 20, iat=2261,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 GLY HN 120 PHE HA 2.80 (# 4658:20 Unique 2.13, 2.14 A)
&rst
ixpk= 4658, nxpk= 20, iat=1846,1828, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 VAL HN 51 ALA HA 5.50 (# 4659:20 Unique 3.55, 3.56 A)
&rst
ixpk= 4659, nxpk= 20, iat= 751, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 TYR QD 51 ALA HA 5.50 (# 4660:20 Unique 2.49, 3.97 A)
&rst
ixpk= 4660, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1929,1938,
&end
#
# 0 AMB 20-2:4661 51 ALA HA 5.50 (# 4661:20 Single Ambig)
&rst
ixpk= 4661, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 767,
&end
#
# 0 AMB 20-2:4662 150 ARG HA 5.50 (# 4662:20 Single Ambig)
&rst
ixpk= 4662, nxpk= 20, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2351,2352,2327,2328,
&end
#
# 0 AMB 20-2:4663 0 AMB 20-1:4663 5.50 (# 4663:20 Double Ambig)
&rst
ixpk= 4663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2255,2256,2257,2251,2252,2253,
igr2=2345,2346,2345,2346,
&end
#
# 149 ARG HD+ 149 ARG HA 5.50 (# 4664:20 Unique 2.44, 4.19 A)
&rst
ixpk= 4664, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2327,2328,
&end
#
# 0 AMB 20-2:4665 148 ASP HA 7.00 (# 4665:20 Single Ambig)
&rst
ixpk= 4665, nxpk= 20, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2287,2288,2345,2346,
&end
#
# 147 LYS HG+ 148 ASP HA 7.00 (# 4666:20 Unique 4.03, 5.52 A)
&rst
ixpk= 4666, nxpk= 20, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2290,2291,
&end
#
# 147 LYS HN 147 LYS HE+ 7.00 (# 4667:20 Unique 3.90, 4.87 A)
&rst
ixpk= 4667, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2296,2297,
&end
#
# 147 LYS HA 147 LYS HG+ 5.50 (# 4668:20 Unique 2.36, 2.77 A)
&rst
ixpk= 4668, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2290,2291,
&end
#
# 147 LYS HN 0 AMB 20-1:4669 5.50 (# 4669:20 Single Ambig)
&rst
ixpk= 4669, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2287,2288,2265,2266,
&end
#
# 147 LYS HE+ 147 LYS HA 7.00 (# 4670:20 Unique 4.51, 5.07 A)
&rst
ixpk= 4670, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2296,2297,
&end
#
# 141 LEU HG 138 LEU HA 5.50 (# 4671:20 Unique 4.45, 4.62 A)
&rst
ixpk= 4671, nxpk= 20, iat=2181,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 LEU HG 138 LEU HA 7.00 (# 4672:20 Unique 2.47, 2.61 A)
&rst
ixpk= 4672, nxpk= 20, iat=2121,2116, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:4673 138 LEU HA 5.50 (# 4673:20 Single Ambig)
&rst
ixpk= 4673, nxpk= 20, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1687,1688,1689,1613,1614,1615,
&end
#
# 138 LEU HN 138 LEU HA 5.50 (# 4674:20 Unique 2.86, 2.87 A)
&rst
ixpk= 4674, nxpk= 20, iat=2114,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS HE+ 146 LYS HA 7.00 (# 4675:20 Unique 4.32, 4.93 A)
&rst
ixpk= 4675, nxpk= 20, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2274,2275,
&end
#
# 145 LEU HN 146 LYS HA 7.00 (# 4676:20 Unique 5.39, 5.43 A)
&rst
ixpk= 4676, nxpk= 20, iat=2242,2263, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 68 PRO HD- 68 PRO HB- 5.50 (# 4677:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1004,
igr2=1009,1010,
&end
#
# 0 AMB 20-2:4678 0 AMB 20-1:4678 4.50 (# 4678:20 Double Ambig)
&rst
ixpk= 4678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1955,1956,2274,2275,
igr2=1949,1950,2268,2269,
&end
#
# 144 GLN HN 143 LYS HG+ 5.50 (# 4679:20 Unique 3.94, 4.81 A)
&rst
ixpk= 4679, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2211,
&end
#
# 144 GLN HN 143 LYS HG- 5.50 (# 4680:20 Unique 3.94, 4.81 A)
&rst
ixpk= 4680, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2211,
&end
#
# 146 LYS HE+ 146 LYS HD+ 4.50 (# 4681:20 Unique 2.39, 2.76 A)
&rst
ixpk= 4681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2274,2275,
igr2=2271,2272,
&end
#
# 0 AMB 20-2:4682 0 AMB 20-1:4682 3.50 (# 4682:20 Double Ambig)
&rst
ixpk= 4682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2268,2269, 856, 857,
igr2=2271,2272,1999,2000,
&end
#
# 0 AMB 20-2:4683 0 AMB 20-1:4683 5.50 (# 4683:20 Double Ambig)
&rst
ixpk= 4683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2261, 792,
igr2=2271,2272,1999,2000,
&end
#
# 116 VAL MG1 13 ARG HD- 5.50 (# 4684:20 Unique 2.70, 4.49 A)
&rst
ixpk= 4684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1771,1772,1773,
igr2= 188, 189,
&end
#
# 148 ASP HB- 145 LEU HA 5.50 (# 4685:20 Unique 2.16, 4.96 A)
&rst
ixpk= 4685, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2309,2310,
&end
#
# 148 ASP HB+ 145 LEU HA 7.00 (# 4686:20 Unique 2.16, 4.96 A)
&rst
ixpk= 4686, nxpk= 20, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2309,2310,
&end
#
# 145 LEU HA 145 LEU HG 5.50 (# 4687:20 Unique 2.85, 3.21 A)
&rst
ixpk= 4687, nxpk= 20, iat=2244,2249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS HN 145 LEU MD2 5.50 (# 4688:20 Unique 5.06, 5.82 A)
&rst
ixpk= 4688, nxpk= 20, iat=2261, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2255,2256,2257,
&end
#
# 108 TYR HD1 145 LEU MD2 7.00 (# 4690:20 Unique 4.64, 6.74 A)
&rst
ixpk= 4690, nxpk= 20, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2255,2256,2257,
&end
#
# 0 AMB 20-2:4691 145 LEU MD2 7.00 (# 4691:20 Single Ambig)
&rst
ixpk= 4691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2351,2352,2327,2328,
igr2=2255,2256,2257,
&end
#
# 148 ASP HB- 145 LEU MD2 5.50 (# 4692:20 Unique 2.73, 6.79 A)
&rst
ixpk= 4692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2309,2310,
igr2=2255,2256,2257,
&end
#
# 3 ILE QD1 145 LEU MD2 5.50 (# 4693:20 Unique 2.67, 5.08 A)
&rst
ixpk= 4693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 46, 47, 48,
igr2=2255,2256,2257,
&end
#
# 141 LEU HG 145 LEU MD2 5.50 (# 4694:20 Unique 3.65, 5.82 A)
&rst
ixpk= 4694, nxpk= 20, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2255,2256,2257,
&end
#
# 3 ILE QG2 145 LEU MD2 7.00 (# 4695:20 Unique 4.54, 7.42 A)
&rst
ixpk= 4695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 39, 40, 41,
igr2=2255,2256,2257,
&end
#
# 145 LEU MD2 144 GLN HA 5.50 (# 4698:20 Unique 5.13, 6.55 A)
&rst
ixpk= 4698, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2255,2256,2257,
&end
#
# 0 AMB 20-2:4699 144 GLN HA 7.00 (# 4699:20 Single Ambig)
&rst
ixpk= 4699, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2210,2211,2246,2247,
&end
#
# 144 GLN HB- 144 GLN HA 4.50 (# 4700:20 Unique 2.45, 2.79 A)
&rst
ixpk= 4700, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2229,2230,
&end
#
# 141 LEU HA 144 GLN HB- 5.50 (# 4702:20 Unique 2.38, 3.49 A)
&rst
ixpk= 4702, nxpk= 20, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2229,2230,
&end
#
# 144 GLN HE2+ 144 GLN HB- 7.00 (# 4703:20 Unique 2.33, 3.82 A)
&rst
ixpk= 4703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2237,2238,
igr2=2229,2230,
&end
#
# 0 AMB 20-2:4704 0 AMB 20-1:4704 5.50 (# 4704:20 Double Ambig)
&rst
ixpk= 4704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1313,1314,1390,1391,1392,
igr2=1338,1339,1338,1339,
&end
#
# 143 LYS HA 0 AMB 20-1:4705 5.50 (# 4705:20 Single Ambig)
&rst
ixpk= 4705, nxpk= 20, iat=2205, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2265,2266,2207,2208,
&end
#
# 145 LEU HN 142 ALA HA 5.50 (# 4706:20 Unique 3.13, 3.25 A)
&rst
ixpk= 4706, nxpk= 20, iat=2242,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 LEU HG 141 LEU HA 5.50 (# 4707:20 Unique 2.25, 2.45 A)
&rst
ixpk= 4707, nxpk= 20, iat=2181,2176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 LEU MD2 141 LEU HA 7.00 (# 4708:20 Unique 6.57, 7.49 A)
&rst
ixpk= 4708, nxpk= 20, iat= -1,2176, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2108,2109,2110,
&end
#
# 0 AMB 20-2:4709 0 AMB 20-1:4709 5.50 (# 4709:20 Double Ambig)
&rst
ixpk= 4709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2135,2082,
igr2=2137,2138,2137,2138,
&end
#
# 139 ARG HD+ 139 ARG HB+ 5.50 (# 4710:20 Unique 2.30, 3.02 A)
&rst
ixpk= 4710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2143,2144,
igr2=2137,2138,
&end
#
# 24 ILE QD1 139 ARG HB- 5.50 (# 4711:20 Unique 2.53, 4.90 A)
&rst
ixpk= 4711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 364, 365, 366,
igr2=2137,2138,
&end
#
# 0 AMB 20-2:4712 0 AMB 20-1:4712 5.50 (# 4712:20 Double Ambig)
&rst
ixpk= 4712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 364, 365, 366, 357, 358, 359,
igr2=2137,2138,2137,2138,
&end
#
# 0 AMB 20-2:4713 138 LEU HA 5.50 (# 4713:20 Single Ambig)
&rst
ixpk= 4713, nxpk= 20, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2102,2140,2141,
&end
#
# 135 GLU HN 134 LEU HA 7.00 (# 4714:20 Unique 3.57, 3.59 A)
&rst
ixpk= 4714, nxpk= 20, iat=2065,2048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 137 LEU HN 134 LEU HA 5.50 (# 4715:20 Unique 3.34, 3.45 A)
&rst
ixpk= 4715, nxpk= 20, iat=2095,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4716 134 LEU HA 5.50 (# 4716:20 Single Ambig)
&rst
ixpk= 4716, nxpk= 20, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2099,2100,2038,2039,
&end
#
# 0 AMB 20-2:4719 0 AMB 20-1:4719 4.50 (# 4719:20 Double Ambig)
&rst
ixpk= 4719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2038,2039,2087,2088,2137,2138,
igr2=2033,2082,
&end
#
# 136 GLU HN 132 ASP HA 7.00 (# 4720:20 Unique 4.30, 4.38 A)
&rst
ixpk= 4720, nxpk= 20, iat=2080,2021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 129 GLN HA 132 ASP HA 7.00 (# 4721:20 Unique 5.64, 5.82 A)
&rst
ixpk= 4721, nxpk= 20, iat=1966,2021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:4722 132 ASP HA 7.00 (# 4722:20 Single Ambig)
&rst
ixpk= 4722, nxpk= 20, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1997,2067,
&end
#
# 98 TYR HA 98 TYR HB+ 5.50 (# 4724:20 Unique 2.47, 2.76 A)
&rst
ixpk= 4724, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1479,1480,
&end
#
# 117 LEU HB- 130 THR HA 7.00 (# 4725:20 Unique 2.46, 3.47 A)
&rst
ixpk= 4725, nxpk= 20, iat= -1,1983, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1785,1786,
&end
#
# 128 LYS HN 128 LYS HA 5.50 (# 4726:20 Unique 2.85, 2.87 A)
&rst
ixpk= 4726, nxpk= 20, iat=1942,1944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 TYR HD2 128 LYS HA 7.00 (# 4728:20 Unique 6.00, 6.54 A)
&rst
ixpk= 4728, nxpk= 20, iat=1929,1944, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:4730 126 ILE HB 7.00 (# 4730:20 Single Ambig)
&rst
ixpk= 4730, nxpk= 20, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1822,1864,1865,
&end
#
# 0 AMB 20-2:4732 124 ILE HG1- 7.00 (# 4732:20 Single Ambig)
&rst
ixpk= 4732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 782,1871,
igr2=1881,1882,
&end
#
# 0 AMB 20-2:4733 0 AMB 20-1:4733 7.00 (# 4733:20 Double Ambig)
&rst
ixpk= 4733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 782,1871, 544,
igr2=1881,1882,1881,1882, 220, 221,
&end
#
# 127 TYR QD 124 ILE QD1 7.00 (# 4735:20 Unique 4.18, 5.82 A)
&rst
ixpk= 4735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1929,1938,
igr2=1884,1885,1886,
&end
#
# 126 ILE HN 124 ILE QD1 7.00 (# 4736:20 Unique 5.49, 6.56 A)
&rst
ixpk= 4736, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1884,1885,1886,
&end
#
# 115 ASP HB+ 118 ASP HA 7.00 (# 4737:20 Unique 5.23, 6.80 A)
&rst
ixpk= 4737, nxpk= 20, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1757,1758,
&end
#
# 59 HIS HB- 59 HIS HA 5.50 (# 4738:20 Unique 2.31, 2.72 A)
&rst
ixpk= 4738, nxpk= 20, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 872, 873,
&end
#
# 59 HIS HB+ 59 HIS HA 5.50 (# 4739:20 Unique 2.31, 2.72 A)
&rst
ixpk= 4739, nxpk= 20, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 872, 873,
&end
#
# 116 VAL HB 117 LEU HB+ 7.00 (# 4740:20 Unique 4.21, 5.32 A)
&rst
ixpk= 4740, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1785,1786,
&end
#
# 0 AMB 20-2:4741 117 LEU MD1 7.00 (# 4741:20 Single Ambig)
&rst
ixpk= 4741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1964,1921,
igr2=1790,1791,1792,
&end
#
# 118 ASP HB+ 117 LEU MD2 5.50 (# 4742:20 Unique 4.00, 6.20 A)
&rst
ixpk= 4742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1804,1805,
igr2=1794,1795,1796,
&end
#
# 0 AMB 20-2:4743 117 LEU MD2 5.50 (# 4743:20 Single Ambig)
&rst
ixpk= 4743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2035,2036,1971,1972,
igr2=1794,1795,1796,
&end
#
# 129 GLN HG+ 117 LEU MD2 5.50 (# 4744:20 Unique 4.75, 6.59 A)
&rst
ixpk= 4744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1971,1972,
igr2=1794,1795,1796,
&end
#
# 118 ASP HB- 117 LEU MD2 6.00 (# 4745:20 Unique 4.00, 6.20 A)
&rst
ixpk= 4745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1804,1805,
igr2=1794,1795,1796,
&end
#
# 117 LEU HB+ 117 LEU MD2 4.50 (# 4746:20 Unique 2.35, 3.51 A)
&rst
ixpk= 4746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1785,1786,
igr2=1794,1795,1796,
&end
#
# 0 AMB 20-2:4747 117 LEU MD2 4.50 (# 4747:20 Single Ambig)
&rst
ixpk= 4747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1785,1786,1819,1820,
igr2=1794,1795,1796,
&end
#
# 117 LEU HG 117 LEU MD2 4.50 (# 4748:20 Unique 2.38, 2.66 A)
&rst
ixpk= 4748, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1794,1795,1796,
&end
#
# 107 GLU HA 113 HIS HA 4.00 (# 4750:20 Unique 3.37, 3.97 A)
&rst
ixpk= 4750, nxpk= 20, iat=1647,1731, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 HIS HB+ 113 HIS HA 2.60 (# 4751:20 Unique 2.36, 2.56 A)
&rst
ixpk= 4751, nxpk= 20, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1=1733,1734,
&end
#
# 113 HIS HN 112 SER HB- 5.50 (# 4752:20 Unique 2.19, 3.57 A)
&rst
ixpk= 4752, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 113 HIS HN 112 SER HB+ 5.50 (# 4753:20 Unique 2.19, 3.57 A)
&rst
ixpk= 4753, nxpk= 20, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 110 THR MG2 110 THR HA 5.50 (# 4757:20 Unique 2.35, 3.01 A)
&rst
ixpk= 4757, nxpk= 20, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1703,1704,1705,
&end
#
# 109 VAL MG1 110 THR HA 5.50 (# 4758:20 Unique 3.70, 5.11 A)
&rst
ixpk= 4758, nxpk= 20, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1687,1688,1689,
&end
#
# 110 THR HB 110 THR HA 5.50 (# 4761:20 Unique 2.41, 2.57 A)
&rst
ixpk= 4761, nxpk= 20, iat=1701,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 GLY HN 110 THR HA 7.00 (# 4764:20 Unique 3.28, 3.35 A)
&rst
ixpk= 4764, nxpk= 20, iat=1711,1699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 109 VAL HN 110 THR HA 7.00 (# 4765:20 Unique 4.92, 5.05 A)
&rst
ixpk= 4765, nxpk= 20, iat=1681,1699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 110 THR HN 110 THR HB 7.00 (# 4766:20 Unique 3.43, 3.65 A)
&rst
ixpk= 4766, nxpk= 20, iat=1697,1701, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 112 SER HN 110 THR HB 7.00 (# 4767:20 Unique 3.37, 3.93 A)
&rst
ixpk= 4767, nxpk= 20, iat=1718,1701, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 110 THR HA 110 THR HB 5.50 (# 4768:20 Unique 2.41, 2.57 A)
&rst
ixpk= 4768, nxpk= 20, iat=1699,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HA 84 THR HB 5.50 (# 4770:20 Unique 2.34, 2.47 A)
&rst
ixpk= 4770, nxpk= 20, iat=1246,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 HIS HN 84 THR HB 5.50 (# 4771:20 Unique 2.39, 2.63 A)
&rst
ixpk= 4771, nxpk= 20, iat=1258,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 SER HB- 110 THR MG2 7.00 (# 4772:20 Unique 5.06, 7.10 A)
&rst
ixpk= 4772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1722,1723,
igr2=1703,1704,1705,
&end
#
# 144 GLN HE2+ 109 VAL HA 7.00 (# 4773:20 Unique 2.18, 2.96 A)
&rst
ixpk= 4773, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2237,2238,
&end
#
# 144 GLN HE2- 109 VAL HA 5.50 (# 4774:20 Unique 2.18, 2.96 A)
&rst
ixpk= 4774, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2237,2238,
&end
#
# 108 TYR HD1 109 VAL HA 5.50 (# 4775:20 Unique 3.60, 4.06 A)
&rst
ixpk= 4775, nxpk= 20, iat=1668,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HB+ 109 VAL HA 7.00 (# 4776:20 Unique 4.15, 5.06 A)
&rst
ixpk= 4776, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1664,1665,
&end
#
# 144 GLN HG- 109 VAL HA 7.00 (# 4777:20 Unique 2.35, 4.27 A)
&rst
ixpk= 4777, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2232,2233,
&end
#
# 0 AMB 20-2:4778 109 VAL HA 5.50 (# 4778:20 Single Ambig)
&rst
ixpk= 4778, nxpk= 20, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2183,2184,2185,2104,2105,2106,
&end
#
# 140 GLN HE2- 109 VAL MG1 7.00 (# 4779:20 Unique 2.60, 3.82 A)
&rst
ixpk= 4779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2169,2170,
igr2=1687,1688,1689,
&end
#
# 47 ALA HN 52 VAL MG2 7.00 (# 4780:20 Unique 4.88, 6.01 A)
&rst
ixpk= 4780, nxpk= 20, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 761, 762, 763,
&end
#
# 0 AMB 20-2:4781 0 AMB 20-1:4781 5.50 (# 4781:20 Double Ambig)
&rst
ixpk= 4781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 937, 938,1664,1665,
igr2= 761, 762, 763,1687,1688,1689,
&end
#
# 109 VAL MG2 108 TYR HA 7.00 (# 4782:20 Unique 4.66, 5.50 A)
&rst
ixpk= 4782, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1691,1692,1693,
&end
#
# 108 TYR HN 108 TYR HB+ 5.50 (# 4783:20 Unique 2.33, 2.47 A)
&rst
ixpk= 4783, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1665,
&end
#
# 108 TYR QE 108 TYR HB+ 7.00 (# 4784:20 Unique 4.67, 5.11 A)
&rst
ixpk= 4784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1670,1675,
igr2=1664,1665,
&end
#
# 109 VAL MG2 108 TYR HB- 7.00 (# 4785:20 Unique 2.45, 4.22 A)
&rst
ixpk= 4785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1691,1692,1693,
igr2=1664,1665,
&end
#
# 108 TYR HB+ 108 TYR HA 5.50 (# 4786:20 Unique 2.49, 2.77 A)
&rst
ixpk= 4786, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1665,
&end
#
# 107 GLU HG+ 107 GLU HA 7.00 (# 4787:20 Unique 2.64, 2.96 A)
&rst
ixpk= 4787, nxpk= 20, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1652,1653,
&end
#
# 108 TYR HN 107 GLU HG+ 5.50 (# 4788:20 Unique 3.54, 4.18 A)
&rst
ixpk= 4788, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1652,1653,
&end
#
# 0 AMB 20-2:4789 0 AMB 20-1:4789 5.50 (# 4789:20 Double Ambig)
&rst
ixpk= 4789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1645,1729,
igr2=1627,1628,1627,1628,
&end
#
# 0 AMB 20-2:4790 0 AMB 20-1:4790 7.00 (# 4790:20 Double Ambig)
&rst
ixpk= 4790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1636,1637,1652,1653,
igr2=1627,1628,1627,1628,
&end
#
# 106 LYS HA 106 LYS HG+ 5.50 (# 4791:20 Unique 2.78, 3.38 A)
&rst
ixpk= 4791, nxpk= 20, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1630,1631,
&end
#
# 106 LYS HN 106 LYS HG+ 7.00 (# 4792:20 Unique 2.43, 3.21 A)
&rst
ixpk= 4792, nxpk= 20, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1630,1631,
&end
#
# 105 LEU HG 105 LEU HA 5.50 (# 4793:20 Unique 2.90, 3.11 A)
&rst
ixpk= 4793, nxpk= 20, iat=1611,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU MD1 105 LEU HG 5.50 (# 4797:20 Unique 5.48, 6.66 A)
&rst
ixpk= 4797, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1207,1208,1209,
&end
#
# 105 LEU HB- 105 LEU HG 4.50 (# 4798:20 Unique 2.39, 2.75 A)
&rst
ixpk= 4798, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1608,1609,
&end
#
# 105 LEU HA 104 THR HA 7.00 (# 4800:20 Unique 4.15, 4.22 A)
&rst
ixpk= 4800, nxpk= 20, iat=1606,1592, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:4801 104 THR HA 5.50 (# 4801:20 Single Ambig)
&rst
ixpk= 4801, nxpk= 20, iat= -1,1592, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1221,1222,1223,1313,1314,
&end
#
# 0 AMB 20-2:4802 104 THR HA 5.50 (# 4802:20 Single Ambig)
&rst
ixpk= 4802, nxpk= 20, iat= -1,1592, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1316,1317,1613,1614,1615,
&end
#
# 103 PHE QD 103 PHE HA 5.50 (# 4803:20 Unique 3.11, 3.58 A)
&rst
ixpk= 4803, nxpk= 20, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1578,1586,
&end
#
# 103 PHE HB+ 103 PHE HA 5.50 (# 4804:20 Unique 2.47, 2.77 A)
&rst
ixpk= 4804, nxpk= 20, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 103 PHE HB- 103 PHE HA 5.50 (# 4806:20 Unique 2.47, 2.77 A)
&rst
ixpk= 4806, nxpk= 20, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 0 AMB 20-2:4807 103 PHE HA 7.00 (# 4807:20 Single Ambig)
&rst
ixpk= 4807, nxpk= 20, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1649,1650,1652,1653,
&end
#
# 88 LYS QD 103 PHE HA 5.50 (# 4808:20 Unique 2.51, 3.86 A)
&rst
ixpk= 4808, nxpk= 20, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 88 LYS QG 103 PHE HA 7.00 (# 4809:20 Unique 3.85, 5.27 A)
&rst
ixpk= 4809, nxpk= 20, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1316,1317,
&end
#
# 103 PHE HN 103 PHE HB- 7.00 (# 4810:20 Unique 2.64, 3.27 A)
&rst
ixpk= 4810, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1574,1575,
&end
#
# 102 VAL MG2 102 VAL HA 5.50 (# 4812:20 Unique 2.82, 3.46 A)
&rst
ixpk= 4812, nxpk= 20, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1564,1565,1566,
&end
#
# 103 PHE HN 102 VAL HB 5.50 (# 4813:20 Unique 3.32, 3.81 A)
&rst
ixpk= 4813, nxpk= 20, iat=1570,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4814 100 ASP HA 7.00 (# 4814:20 Single Ambig)
&rst
ixpk= 4814, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1496,1580,1584,
&end
#
# 102 VAL HN 100 ASP HA 5.50 (# 4815:20 Unique 3.82, 3.94 A)
&rst
ixpk= 4815, nxpk= 20, iat=1554,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HA 100 ASP HA 5.50 (# 4816:20 Unique 4.89, 4.92 A)
&rst
ixpk= 4816, nxpk= 20, iat=1498,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HG- 100 ASP HA 5.50 (# 4818:20 Unique 3.69, 5.13 A)
&rst
ixpk= 4818, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1503,1504,
&end
#
# 99 ARG HG+ 100 ASP HA 7.00 (# 4819:20 Unique 3.69, 5.13 A)
&rst
ixpk= 4819, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1503,1504,
&end
#
# 0 AMB 20-2:4820 100 ASP HA 5.50 (# 4820:20 Single Ambig)
&rst
ixpk= 4820, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1500,1501,1558,
&end
#
# 102 VAL MG2 100 ASP HA 7.00 (# 4822:20 Unique 5.47, 6.65 A)
&rst
ixpk= 4822, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1564,1565,1566,
&end
#
# 98 TYR HN 98 TYR HA 5.50 (# 4823:20 Unique 2.88, 2.94 A)
&rst
ixpk= 4823, nxpk= 20, iat=1475,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HN 98 TYR HA 5.50 (# 4824:20 Unique 3.20, 3.44 A)
&rst
ixpk= 4824, nxpk= 20, iat=1520,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HN 98 TYR HA 5.50 (# 4825:20 Unique 2.69, 2.85 A)
&rst
ixpk= 4825, nxpk= 20, iat=1496,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR HB- 98 TYR HA 5.50 (# 4826:20 Unique 2.47, 2.76 A)
&rst
ixpk= 4826, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1479,1480,
&end
#
# 98 TYR HB+ 98 TYR HA 5.50 (# 4827:20 Unique 2.47, 2.76 A)
&rst
ixpk= 4827, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1479,1480,
&end
#
# 0 AMB 20-2:4828 98 TYR HA 5.50 (# 4828:20 Single Ambig)
&rst
ixpk= 4828, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1500,1501,1536,1537,
&end
#
# 0 AMB 20-2:4829 98 TYR HA 5.50 (# 4829:20 Single Ambig)
&rst
ixpk= 4829, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1109,1110,1111,1503,1504,
&end
#
# 97 ARG HG+ 98 TYR HA 7.00 (# 4830:20 Unique 4.80, 5.59 A)
&rst
ixpk= 4830, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1458,1459,
&end
#
# 98 TYR HA 98 TYR HB- 5.50 (# 4831:20 Unique 2.47, 2.76 A)
&rst
ixpk= 4831, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1479,1480,
&end
#
# 0 AMB 20-2:4841 101 LYS HA 5.50 (# 4841:20 Single Ambig)
&rst
ixpk= 4841, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1182,1520,
&end
#
# 101 LYS HB+ 101 LYS HA 5.50 (# 4842:20 Unique 2.32, 2.62 A)
&rst
ixpk= 4842, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1536,1537,
&end
#
# 101 LYS HB- 101 LYS HA 5.50 (# 4843:20 Unique 2.32, 2.62 A)
&rst
ixpk= 4843, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1536,1537,
&end
#
# 101 LYS HG+ 101 LYS HA 5.50 (# 4844:20 Unique 2.36, 3.25 A)
&rst
ixpk= 4844, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1539,1540,
&end
#
# 0 AMB 20-2:4846 101 LYS HA 7.00 (# 4846:20 Single Ambig)
&rst
ixpk= 4846, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1192,1193,1194,1176,1177,1178,
&end
#
# 98 TYR QD 101 LYS HG+ 7.00 (# 4847:20 Unique 5.72, 7.53 A)
&rst
ixpk= 4847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1483,1492,
igr2=1539,1540,
&end
#
# 98 TYR QD 101 LYS HG- 7.00 (# 4848:20 Unique 5.72, 7.53 A)
&rst
ixpk= 4848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1483,1492,
igr2=1539,1540,
&end
#
# 89 GLN HA 99 ARG HG- 7.00 (# 4849:20 Unique 4.20, 5.57 A)
&rst
ixpk= 4849, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1503,1504,
&end
#
# 89 GLN HA 99 ARG HG+ 5.50 (# 4850:20 Unique 4.20, 5.57 A)
&rst
ixpk= 4850, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 100 ASP HA 99 ARG HG- 5.50 (# 4851:20 Unique 3.69, 5.13 A)
&rst
ixpk= 4851, nxpk= 20, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 100 ASP HA 99 ARG HG+ 7.00 (# 4852:20 Unique 3.69, 5.13 A)
&rst
ixpk= 4852, nxpk= 20, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1503,1504,
&end
#
# 98 TYR HN 99 ARG HG+ 7.00 (# 4853:20 Unique 4.66, 6.46 A)
&rst
ixpk= 4853, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1503,1504,
&end
#
# 98 TYR HN 99 ARG HG- 7.00 (# 4854:20 Unique 4.66, 6.46 A)
&rst
ixpk= 4854, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1503,1504,
&end
#
# 100 ASP HN 99 ARG HG+ 5.50 (# 4855:20 Unique 3.03, 4.72 A)
&rst
ixpk= 4855, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 92 ALA MB 99 ARG HG+ 5.50 (# 4856:20 Unique 2.12, 4.21 A)
&rst
ixpk= 4856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1390,1391,1392,
igr2=1503,1504,
&end
#
# 97 ARG HD+ 97 ARG HA 5.50 (# 4858:20 Unique 2.19, 4.20 A)
&rst
ixpk= 4858, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1461,1462,
&end
#
# 98 TYR HA 97 ARG HA 7.00 (# 4859:20 Unique 4.49, 4.57 A)
&rst
ixpk= 4859, nxpk= 20, iat=1477,1453, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 PHE HN 95 PHE HA 5.50 (# 4860:20 Unique 2.93, 2.94 A)
&rst
ixpk= 4860, nxpk= 20, iat=1424,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HD2 95 PHE HA 5.50 (# 4861:20 Unique 2.08, 2.11 A)
&rst
ixpk= 4861, nxpk= 20, iat=1440,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4862 95 PHE HA 5.50 (# 4862:20 Single Ambig)
&rst
ixpk= 4862, nxpk= 20, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1434,1438,1483,1492,
&end
#
# 94 GLN HA 95 PHE HA 5.50 (# 4863:20 Unique 4.64, 4.66 A)
&rst
ixpk= 4863, nxpk= 20, iat=1409,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HB- 95 PHE HA 5.50 (# 4864:20 Unique 2.49, 2.77 A)
&rst
ixpk= 4864, nxpk= 20, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1428,1429,
&end
#
# 95 PHE HB+ 95 PHE HA 5.50 (# 4865:20 Unique 2.49, 2.77 A)
&rst
ixpk= 4865, nxpk= 20, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1428,1429,
&end
#
# 74 MET HE 95 PHE HA 7.00 (# 4866:20 Unique 5.56, 6.97 A)
&rst
ixpk= 4866, nxpk= 20, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1109,1110,1111,
&end
#
# 0 AMB 20-2:4867 0 AMB 20-1:4867 4.50 (# 4867:20 Double Ambig)
&rst
ixpk= 4867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 450, 451, 452,1354,1355,1356,
igr2= 423, 424,1411,1412,
&end
#
# 95 PHE QD 94 GLN HG+ 7.00 (# 4869:20 Unique 2.89, 4.23 A)
&rst
ixpk= 4869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1432,1440,
igr2=1414,1415,
&end
#
# 95 PHE HN 92 ALA HA 5.50 (# 4870:20 Unique 3.41, 3.61 A)
&rst
ixpk= 4870, nxpk= 20, iat=1424,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4871 92 ALA HA 5.50 (# 4871:20 Single Ambig)
&rst
ixpk= 4871, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1400,1401,1409,
&end
#
# 95 PHE HB+ 92 ALA HA 7.00 (# 4872:20 Unique 2.88, 4.02 A)
&rst
ixpk= 4872, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1428,1429,
&end
#
# 0 AMB 20-2:4873 92 ALA HA 5.50 (# 4873:20 Single Ambig)
&rst
ixpk= 4873, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1503,1504,1371,
&end
#
# 102 VAL MG2 92 ALA HA 5.50 (# 4874:20 Unique 4.41, 5.57 A)
&rst
ixpk= 4874, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1564,1565,1566,
&end
#
# 0 AMB 20-2:4875 92 ALA HA 5.50 (# 4875:20 Single Ambig)
&rst
ixpk= 4875, nxpk= 20, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1373,1374,1375,1458,1459,
&end
#
# 0 AMB 20-2:4876 91 ILE HB 5.50 (# 4876:20 Single Ambig)
&rst
ixpk= 4876, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1390,1391,1392,1313,1314,
&end
#
# 95 PHE HA 91 ILE QG2 7.00 (# 4877:20 Unique 6.30, 6.92 A)
&rst
ixpk= 4877, nxpk= 20, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1373,1374,1375,
&end
#
# 102 VAL HA 91 ILE QG2 7.00 (# 4878:20 Unique 5.18, 6.23 A)
&rst
ixpk= 4878, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1373,1374,1375,
&end
#
# 102 VAL HN 91 ILE QG2 7.00 (# 4879:20 Unique 5.70, 6.56 A)
&rst
ixpk= 4879, nxpk= 20, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1373,1374,1375,
&end
#
# 95 PHE HN 91 ILE QG2 5.50 (# 4880:20 Unique 4.63, 5.27 A)
&rst
ixpk= 4880, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1373,1374,1375,
&end
#
# 91 ILE HN 91 ILE QG2 5.50 (# 4881:20 Unique 4.39, 4.54 A)
&rst
ixpk= 4881, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1373,1374,1375,
&end
#
# 94 GLN HN 91 ILE QG2 7.00 (# 4882:20 Unique 5.47, 5.98 A)
&rst
ixpk= 4882, nxpk= 20, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1373,1374,1375,
&end
#
# 86 GLN HE2- 90 ILE QD1 7.00 (# 4883:20 Unique 2.83, 4.77 A)
&rst
ixpk= 4883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1287,1288,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:4884 90 ILE QD1 7.00 (# 4884:20 Single Ambig)
&rst
ixpk= 4884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1309,1396,
igr2=1361,1362,1363,
&end
#
# 0 AMB 20-2:4885 0 AMB 20-1:4885 7.00 (# 4885:20 Double Ambig)
&rst
ixpk= 4885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1335,1336,1414,1415,
igr2=1358,1359,1377,1378,
&end
#
# 90 ILE QG2 90 ILE HB 5.50 (# 4886:20 Unique 2.44, 2.68 A)
&rst
ixpk= 4886, nxpk= 20, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1354,1355,1356,
&end
#
# 89 GLN HG+ 89 GLN HA 5.50 (# 4887:20 Unique 2.55, 2.84 A)
&rst
ixpk= 4887, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1338,1339,
&end
#
# 89 GLN HE2+ 89 GLN HG+ 5.50 (# 4888:20 Unique 2.30, 3.43 A)
&rst
ixpk= 4888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1343,1344,
igr2=1338,1339,
&end
#
# 88 LYS HA 88 LYS HB+ 5.50 (# 4889:20 Unique 2.34, 2.75 A)
&rst
ixpk= 4889, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 88 LYS HN 88 LYS HB+ 5.50 (# 4890:20 Unique 2.33, 2.52 A)
&rst
ixpk= 4890, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 89 GLN HN 88 LYS HB+ 7.00 (# 4891:20 Unique 2.55, 3.32 A)
&rst
ixpk= 4891, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1313,1314,
&end
#
# 82 ALA MB 82 ALA HA 5.50 (# 4892:20 Unique 2.41, 2.67 A)
&rst
ixpk= 4892, nxpk= 20, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1221,1222,1223,
&end
#
# 6 VAL HB 82 ALA HA 5.50 (# 4893:20 Unique 4.69, 4.80 A)
&rst
ixpk= 4893, nxpk= 20, iat= 95,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4894 82 ALA HA 7.00 (# 4894:20 Single Ambig)
&rst
ixpk= 4894, nxpk= 20, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1234,1235,1238,1239,1240,
&end
#
# 6 VAL MG2 82 ALA HA 5.50 (# 4895:20 Unique 3.12, 4.76 A)
&rst
ixpk= 4895, nxpk= 20, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 101, 102, 103,
&end
#
# 85 HIS HA 85 HIS HB+ 5.50 (# 4899:20 Unique 2.39, 2.72 A)
&rst
ixpk= 4899, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1262,1263,
&end
#
# 85 HIS HA 85 HIS HB- 5.50 (# 4900:20 Unique 2.39, 2.72 A)
&rst
ixpk= 4900, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1262,1263,
&end
#
# 104 THR MG2 85 HIS HB+ 7.00 (# 4901:20 Unique 2.54, 4.79 A)
&rst
ixpk= 4901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1596,1597,1598,
igr2=1262,1263,
&end
#
# 104 THR MG2 85 HIS HB- 7.00 (# 4902:20 Unique 2.54, 4.79 A)
&rst
ixpk= 4902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1596,1597,1598,
igr2=1262,1263,
&end
#
# 85 HIS HD2 85 HIS HB+ 7.00 (# 4903:20 Unique 2.59, 3.25 A)
&rst
ixpk= 4903, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1262,1263,
&end
#
# 85 HIS HD2 85 HIS HB- 7.00 (# 4904:20 Unique 2.59, 3.25 A)
&rst
ixpk= 4904, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1262,1263,
&end
#
# 86 GLN HN 85 HIS HB+ 7.00 (# 4905:20 Unique 2.81, 3.60 A)
&rst
ixpk= 4905, nxpk= 20, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1262,1263,
&end
#
# 85 HIS HN 85 HIS HB+ 5.50 (# 4906:20 Unique 2.25, 2.70 A)
&rst
ixpk= 4906, nxpk= 20, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1262,1263,
&end
#
# 85 HIS HN 85 HIS HB- 5.50 (# 4907:20 Unique 2.25, 2.70 A)
&rst
ixpk= 4907, nxpk= 20, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1262,1263,
&end
#
# 86 GLN HB+ 84 THR HB 7.00 (# 4908:20 Unique 2.77, 4.07 A)
&rst
ixpk= 4908, nxpk= 20, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1279,1280,
&end
#
# 0 AMB 20-2:4910 80 VAL HA 7.00 (# 4910:20 Single Ambig)
&rst
ixpk= 4910, nxpk= 20, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1172,1173,1174,1207,1208,1209,
&end
#
# 3 ILE QD1 79 LEU HB+ 5.50 (# 4911:20 Unique 4.06, 5.14 A)
&rst
ixpk= 4911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 46, 47, 48,
igr2=1167,1168,
&end
#
# 0 AMB 20-2:4912 79 LEU HA 5.50 (# 4912:20 Single Ambig)
&rst
ixpk= 4912, nxpk= 20, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 43, 44,1564,1565,1566,
&end
#
# 0 AMB 20-2:4913 79 LEU HA 5.50 (# 4913:20 Single Ambig)
&rst
ixpk= 4913, nxpk= 20, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1580,1584,
&end
#
# 79 LEU HN 77 ALA HA 5.50 (# 4914:20 Unique 4.15, 4.22 A)
&rst
ixpk= 4914, nxpk= 20, iat=1163,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ASP HN 77 ALA HA 7.00 (# 4915:20 Unique 4.25, 4.49 A)
&rst
ixpk= 4915, nxpk= 20, iat= 21,1143, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 ILE QD1 77 ALA HA 5.50 (# 4916:20 Unique 4.60, 5.46 A)
&rst
ixpk= 4916, nxpk= 20, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 65, 66, 67,
&end
#
# 76 SER HN 76 SER HB- 5.50 (# 4917:20 Unique 2.52, 3.07 A)
&rst
ixpk= 4917, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1134,1135,
&end
#
# 76 SER HA 76 SER HB- 5.50 (# 4918:20 Unique 2.44, 2.75 A)
&rst
ixpk= 4918, nxpk= 20, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1134,1135,
&end
#
# 0 AMB 20-2:4919 76 SER HA 4.50 (# 4919:20 Single Ambig)
&rst
ixpk= 4919, nxpk= 20, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1134,1135,1134,1135,
&end
#
# 0 AMB 20-2:4920 75 GLU HA 7.00 (# 4920:20 Single Ambig)
&rst
ixpk= 4920, nxpk= 20, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1100,1134,1135,
&end
#
# 76 SER HA 75 GLU HA 7.00 (# 4921:20 Unique 4.74, 4.78 A)
&rst
ixpk= 4921, nxpk= 20, iat=1132,1117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 73 LEU HN 75 GLU HB+ 5.50 (# 4924:20 Unique 5.06, 6.08 A)
&rst
ixpk= 4924, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 73 LEU HN 75 GLU HB- 5.50 (# 4925:20 Unique 5.06, 6.08 A)
&rst
ixpk= 4925, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 72 GLU HA 75 GLU HB+ 5.50 (# 4926:20 Unique 2.49, 3.52 A)
&rst
ixpk= 4926, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 75 GLU HA 75 GLU HB+ 5.50 (# 4927:20 Unique 2.57, 2.81 A)
&rst
ixpk= 4927, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 75 GLU HA 75 GLU HB- 5.50 (# 4928:20 Unique 2.57, 2.81 A)
&rst
ixpk= 4928, nxpk= 20, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 76 SER HN 75 GLU HG+ 5.50 (# 4931:20 Unique 4.66, 5.05 A)
&rst
ixpk= 4931, nxpk= 20, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:4932 0 AMB 20-1:4932 5.50 (# 4932:20 Double Ambig)
&rst
ixpk= 4932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1066, 784,
igr2=1122,1123, 774, 775,
&end
#
# 72 GLU HA 75 GLU HG- 5.50 (# 4933:20 Unique 3.75, 4.57 A)
&rst
ixpk= 4933, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:4934 74 MET HA 5.50 (# 4934:20 Single Ambig)
&rst
ixpk= 4934, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1025,1026,1027,1192,1193,1194,
&end
#
# 0 AMB 20-2:4935 74 MET HA 5.50 (# 4935:20 Single Ambig)
&rst
ixpk= 4935, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1102,1103,1145,1146,1147,
&end
#
# 74 MET HG+ 74 MET HA 5.50 (# 4936:20 Unique 3.56, 3.92 A)
&rst
ixpk= 4936, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1105,1106,
&end
#
# 0 AMB 20-2:4937 74 MET HA 5.50 (# 4937:20 Single Ambig)
&rst
ixpk= 4937, nxpk= 20, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1109,1110,1111,1542,1543,1083,1084,
&end
#
# 69 LEU HB+ 69 LEU HA 5.50 (# 4938:20 Unique 2.45, 2.76 A)
&rst
ixpk= 4938, nxpk= 20, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1020,1021,
&end
#
# 70 THR HN 69 LEU HA 5.50 (# 4939:20 Unique 2.13, 2.17 A)
&rst
ixpk= 4939, nxpk= 20, iat=1035,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HN 69 LEU HA 5.50 (# 4940:20 Unique 2.92, 2.96 A)
&rst
ixpk= 4940, nxpk= 20, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HN 73 LEU HA 5.50 (# 4941:20 Unique 3.19, 3.26 A)
&rst
ixpk= 4941, nxpk= 20, iat=1130,1081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HG+ 73 LEU HA 7.00 (# 4942:20 Unique 3.75, 4.42 A)
&rst
ixpk= 4942, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1071,1072,
&end
#
# 0 AMB 20-2:4943 73 LEU HA 7.00 (# 4943:20 Single Ambig)
&rst
ixpk= 4943, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1068,1069,1119,1120,
&end
#
# 4 ILE QD1 73 LEU HA 5.50 (# 4945:20 Unique 4.22, 5.12 A)
&rst
ixpk= 4945, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 65, 66, 67,
&end
#
# 69 LEU MD1 73 LEU HA 7.00 (# 4946:20 Unique 5.50, 5.98 A)
&rst
ixpk= 4946, nxpk= 20, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1025,1026,1027,
&end
#
# 70 THR HN 73 LEU HG 5.50 (# 4948:20 Unique 4.64, 4.75 A)
&rst
ixpk= 4948, nxpk= 20, iat=1035,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG HB+ 73 LEU MD1 5.50 (# 4949:20 Unique 2.80, 4.55 A)
&rst
ixpk= 4949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 524, 525,
igr2=1088,1089,1090,
&end
#
# 37 ALA HA 73 LEU MD2 5.50 (# 4951:20 Unique 4.29, 5.01 A)
&rst
ixpk= 4951, nxpk= 20, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1092,1093,1094,
&end
#
# 72 GLU HG+ 73 LEU MD2 5.50 (# 4953:20 Unique 5.67, 6.84 A)
&rst
ixpk= 4953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1071,1072,
igr2=1092,1093,1094,
&end
#
# 35 ARG HG+ 73 LEU MD2 5.50 (# 4954:20 Unique 3.02, 5.31 A)
&rst
ixpk= 4954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 527, 528,
igr2=1092,1093,1094,
&end
#
# 0 AMB 20-2:4955 73 LEU MD2 4.50 (# 4955:20 Single Ambig)
&rst
ixpk= 4955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1025,1026,1027, 58, 59, 60,
igr2=1092,1093,1094,
&end
#
# 76 SER HN 72 GLU HA 7.00 (# 4956:20 Unique 4.00, 4.03 A)
&rst
ixpk= 4956, nxpk= 20, iat=1130,1066, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 73 LEU HB+ 72 GLU HA 5.50 (# 4957:20 Unique 5.79, 5.84 A)
&rst
ixpk= 4957, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1083,1084,
&end
#
# 70 THR HB 72 GLU HB+ 7.00 (# 4958:20 Unique 5.27, 5.81 A)
&rst
ixpk= 4958, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1068,1069,
&end
#
# 70 THR HB 72 GLU HB- 7.00 (# 4959:20 Unique 5.27, 5.81 A)
&rst
ixpk= 4959, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1068,1069,
&end
#
# 71 GLU HG- 71 GLU HB- 4.50 (# 4961:20 Unique 2.44, 2.77 A)
&rst
ixpk= 4961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1056,1057,
igr2=1053,1054,
&end
#
# 72 GLU HN 71 GLU HA 5.50 (# 4962:20 Unique 3.53, 3.54 A)
&rst
ixpk= 4962, nxpk= 20, iat=1064,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 MET HG- 71 GLU HA 5.50 (# 4963:20 Unique 2.72, 3.12 A)
&rst
ixpk= 4963, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1105,1106,
&end
#
# 0 AMB 20-2:4964 70 THR MG2 4.50 (# 4964:20 Single Ambig)
&rst
ixpk= 4964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1020,1021,1092,1093,1094,
igr2=1041,1042,1043,
&end
#
# 71 GLU HN 70 THR HB 7.00 (# 4965:20 Unique 2.37, 2.41 A)
&rst
ixpk= 4965, nxpk= 20, iat=1049,1039, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 72 GLU HN 70 THR HB 5.50 (# 4966:20 Unique 3.31, 3.38 A)
&rst
ixpk= 4966, nxpk= 20, iat=1064,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4968 70 THR HB 7.00 (# 4968:20 Single Ambig)
&rst
ixpk= 4968, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1079,1098,
&end
#
# 70 THR MG2 70 THR HB 5.50 (# 4972:20 Unique 2.44, 2.67 A)
&rst
ixpk= 4972, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 95 PHE QD 69 LEU MD1 5.50 (# 4974:20 Unique 5.25, 6.80 A)
&rst
ixpk= 4974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1432,1440,
igr2=1025,1026,1027,
&end
#
# 95 PHE HD2 69 LEU MD1 7.00 (# 4975:20 Unique 6.77, 7.43 A)
&rst
ixpk= 4975, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1025,1026,1027,
&end
#
# 0 AMB 20-2:4976 69 LEU MD1 5.50 (# 4976:20 Single Ambig)
&rst
ixpk= 4976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 557,1039,
igr2=1025,1026,1027,
&end
#
# 39 VAL HA 69 LEU MD1 7.00 (# 4977:20 Unique 6.43, 6.79 A)
&rst
ixpk= 4977, nxpk= 20, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1025,1026,1027,
&end
#
# 70 THR MG2 68 PRO HB- 5.50 (# 4979:20 Unique 2.30, 4.16 A)
&rst
ixpk= 4979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1041,1042,1043,
igr2=1009,1010,
&end
#
# 0 AMB 20-2:4980 0 AMB 20-1:4980 4.50 (# 4980:20 Double Ambig)
&rst
ixpk= 4980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 612, 613, 614,1170,1613,1614,1615, 559, 560, 561,
igr2=1009,1010,1186,1769,
&end
#
# 68 PRO HB- 68 PRO HG+ 3.00 (# 4981:20 Unique 2.38, 2.63 A)
&rst
ixpk= 4981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1009,1010,
igr2=1006,1007,
&end
#
# 67 SER HA 68 PRO HD+ 4.50 (# 4983:20 Unique 2.39, 2.51 A)
&rst
ixpk= 4983, nxpk= 20, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1003,1004,
&end
#
# 43 PRO HA 68 PRO HD- 7.00 (# 4985:20 Unique 3.67, 4.15 A)
&rst
ixpk= 4985, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1003,1004,
&end
#
# 68 PRO HB+ 68 PRO HD+ 5.50 (# 4987:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1009,1010,
igr2=1003,1004,
&end
#
# 68 PRO HB+ 68 PRO HD- 5.50 (# 4988:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1009,1010,
igr2=1003,1004,
&end
#
# 68 PRO HB- 68 PRO HD- 5.50 (# 4989:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1009,1010,
igr2=1003,1004,
&end
#
# 68 PRO HB- 68 PRO HD+ 5.50 (# 4990:20 Unique 2.80, 3.68 A)
&rst
ixpk= 4990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1009,1010,
igr2=1003,1004,
&end
#
# 0 AMB 20-2:4991 0 AMB 20-1:4991 7.00 (# 4991:20 Double Ambig)
&rst
ixpk= 4991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 612, 613, 614, 559, 560, 561,
igr2=1003,1004,1003,1004,
&end
#
# 67 SER HN 67 SER HA 5.50 (# 4992:20 Unique 2.87, 2.90 A)
&rst
ixpk= 4992, nxpk= 20, iat= 991, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 PRO HA 67 SER HA 2.50 (# 4993:20 Unique 2.17, 2.53 A)
&rst
ixpk= 4993, nxpk= 20, iat= 639, 993, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 20-2:4994 67 SER HA 3.50 (# 4994:20 Single Ambig)
&rst
ixpk= 4994, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1003,1004, 995, 996,
&end
#
# 67 SER HB- 67 SER HA 2.80 (# 4995:20 Unique 2.48, 2.80 A)
&rst
ixpk= 4995, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 995, 996,
&end
#
# 68 PRO HD- 67 SER HA 4.50 (# 4996:20 Unique 2.39, 2.51 A)
&rst
ixpk= 4996, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1003,1004,
&end
#
# 43 PRO HG+ 67 SER HA 2.80 (# 4997:20 Unique 2.84, 3.76 A)
&rst
ixpk= 4997, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 633, 634,
&end
#
# 0 AMB 20-2:4998 67 SER HA 5.50 (# 4998:20 Single Ambig)
&rst
ixpk= 4998, nxpk= 20, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 612, 613, 614, 559, 560, 561,
&end
#
# 10 ASN HB+ 66 SER HB- 5.50 (# 5000:20 Unique 2.21, 3.56 A)
&rst
ixpk= 5000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:5002 48 THR HA 7.00 (# 5002:20 Single Ambig)
&rst
ixpk= 5002, nxpk= 20, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 720, 157,
&end
#
# 66 SER HB+ 65 VAL MG1 5.50 (# 5004:20 Unique 4.46, 6.06 A)
&rst
ixpk= 5004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 984, 985,
igr2= 970, 971, 972,
&end
#
# 66 SER HB- 65 VAL MG1 5.50 (# 5005:20 Unique 4.46, 6.06 A)
&rst
ixpk= 5005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 984, 985,
igr2= 970, 971, 972,
&end
#
# 64 HIS HD2 64 HIS HB+ 7.00 (# 5006:20 Unique 2.57, 3.23 A)
&rst
ixpk= 5006, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 951, 952,
&end
#
# 64 HIS HD2 64 HIS HB- 7.00 (# 5007:20 Unique 2.57, 3.23 A)
&rst
ixpk= 5007, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 951, 952,
&end
#
# 61 ALA HA 62 LEU HA 5.50 (# 5009:20 Unique 4.57, 4.66 A)
&rst
ixpk= 5009, nxpk= 20, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ILE QG2 61 ALA HA 5.50 (# 5010:20 Unique 4.98, 6.12 A)
&rst
ixpk= 5010, nxpk= 20, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 891, 892, 893,
&end
#
# 62 LEU HB+ 61 ALA HA 5.50 (# 5011:20 Unique 4.09, 4.54 A)
&rst
ixpk= 5011, nxpk= 20, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 918, 919,
&end
#
# 61 ALA HN 61 ALA HA 5.50 (# 5013:20 Unique 2.22, 2.25 A)
&rst
ixpk= 5013, nxpk= 20, iat= 904, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HA 61 ALA MB 5.50 (# 5014:20 Unique 4.55, 5.74 A)
&rst
ixpk= 5014, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 63 ASN HB- 61 ALA MB 5.50 (# 5016:20 Unique 4.63, 6.29 A)
&rst
ixpk= 5016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 937, 938,
igr2= 908, 909, 910,
&end
#
# 63 ASN HB+ 61 ALA MB 5.50 (# 5017:20 Unique 4.63, 6.29 A)
&rst
ixpk= 5017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 937, 938,
igr2= 908, 909, 910,
&end
#
# 0 AMB 20-2:5018 60 ILE HB 7.00 (# 5018:20 Single Ambig)
&rst
ixpk= 5018, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 794, 281,
&end
#
# 58 LYS HE- 60 ILE QD1 7.00 (# 5019:20 Unique 4.34, 5.23 A)
&rst
ixpk= 5019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 859, 860,
igr2= 898, 899, 900,
&end
#
# 59 HIS HB- 60 ILE QD1 7.00 (# 5020:20 Unique 5.97, 7.23 A)
&rst
ixpk= 5020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 872, 873,
igr2= 898, 899, 900,
&end
#
# 0 AMB 20-2:5021 60 ILE QD1 5.50 (# 5021:20 Single Ambig)
&rst
ixpk= 5021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 868, 792,
igr2= 898, 899, 900,
&end
#
# 58 LYS HN 59 HIS HA 5.50 (# 5022:20 Unique 4.78, 4.88 A)
&rst
ixpk= 5022, nxpk= 20, iat= 846, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HB- 58 LYS HG- 7.00 (# 5023:20 Unique 6.09, 7.29 A)
&rst
ixpk= 5023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 835, 836,
igr2= 853, 854,
&end
#
# 58 LYS HN 58 LYS HD+ 5.50 (# 5026:20 Unique 4.98, 5.54 A)
&rst
ixpk= 5026, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 856, 857,
&end
#
# 58 LYS HN 58 LYS HD- 5.50 (# 5027:20 Unique 4.98, 5.54 A)
&rst
ixpk= 5027, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 856, 857,
&end
#
# 59 HIS HN 57 GLU HA 5.50 (# 5028:20 Unique 3.47, 3.57 A)
&rst
ixpk= 5028, nxpk= 20, iat= 868, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HG- 57 GLU HB- 3.00 (# 5029:20 Unique 2.34, 2.72 A)
&rst
ixpk= 5029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 838, 839,
igr2= 835, 836,
&end
#
# 57 GLU HG- 57 GLU HB+ 3.00 (# 5030:20 Unique 2.34, 2.72 A)
&rst
ixpk= 5030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 838, 839,
igr2= 835, 836,
&end
#
# 0 AMB 20-2:5032 56 PHE HA 5.50 (# 5032:20 Single Ambig)
&rst
ixpk= 5032, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 889, 895, 896,
&end
#
# 55 LEU HB+ 56 PHE HA 5.50 (# 5033:20 Unique 4.37, 4.66 A)
&rst
ixpk= 5033, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 52 VAL MG1 56 PHE HB+ 5.50 (# 5035:20 Unique 4.27, 5.80 A)
&rst
ixpk= 5035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 757, 758, 759,
igr2= 815, 816,
&end
#
# 58 LYS HN 55 LEU HA 5.50 (# 5036:20 Unique 2.73, 2.82 A)
&rst
ixpk= 5036, nxpk= 20, iat= 846, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5037 55 LEU HA 5.50 (# 5037:20 Single Ambig)
&rst
ixpk= 5037, nxpk= 20, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 885, 831,
&end
#
# 0 AMB 20-2:5038 0 AMB 20-1:5038 5.50 (# 5038:20 Double Ambig)
&rst
ixpk= 5038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 811, 904,1520,
igr2= 794,1453,
&end
#
# 21 PHE HD2 30 LEU MD1 5.50 (# 5039:20 Unique 5.82, 6.84 A)
&rst
ixpk= 5039, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 450, 451, 452,
&end
#
# 143 LYS HN 30 LEU MD1 5.50 (# 5040:20 Unique 5.17, 5.68 A)
&rst
ixpk= 5040, nxpk= 20, iat=2203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 450, 451, 452,
&end
#
# 0 AMB 20-2:5041 0 AMB 20-1:5041 5.50 (# 5041:20 Double Ambig)
&rst
ixpk= 5041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 885, 380,
igr2= 801, 802, 803, 450, 451, 452,
&end
#
# 23 SER HN 55 LEU MD1 5.50 (# 5042:20 Unique 6.17, 6.73 A)
&rst
ixpk= 5042, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 801, 802, 803,
&end
#
# 57 GLU HB+ 54 ALA HA 5.50 (# 5044:20 Unique 2.67, 3.41 A)
&rst
ixpk= 5044, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 835, 836,
&end
#
# 62 LEU HB- 54 ALA HA 7.00 (# 5045:20 Unique 7.64, 7.92 A)
&rst
ixpk= 5045, nxpk= 20, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 918, 919,
&end
#
# 0 AMB 20-2:5046 10 ASN HA 5.50 (# 5046:20 Single Ambig)
&rst
ixpk= 5046, nxpk= 20, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144, 111, 112,
&end
#
# 50 HIS HA 54 ALA MB 5.50 (# 5047:20 Unique 4.72, 5.63 A)
&rst
ixpk= 5047, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 786, 787, 788,
&end
#
# 52 VAL HA 54 ALA MB 5.50 (# 5048:20 Unique 5.12, 6.12 A)
&rst
ixpk= 5048, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 786, 787, 788,
&end
#
# 24 ILE HA 27 ARG HB+ 5.50 (# 5049:20 Unique 2.48, 3.68 A)
&rst
ixpk= 5049, nxpk= 20, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 399, 400,
&end
#
# 0 AMB 20-2:5050 0 AMB 20-1:5050 3.50 (# 5050:20 Double Ambig)
&rst
ixpk= 5050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 397, 769,
igr2= 399, 400, 771, 772,
&end
#
# 0 AMB 20-2:5051 0 AMB 20-1:5051 3.00 (# 5051:20 Double Ambig)
&rst
ixpk= 5051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 769,2082,2033,
igr2= 771, 772,2084,2085,2084,2085,
&end
#
# 0 AMB 20-2:5052 0 AMB 20-1:5052 5.50 (# 5052:20 Double Ambig)
&rst
ixpk= 5052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 784,2205,
igr2= 774, 775, 426, 427,
&end
#
# 0 AMB 20-2:5053 53 GLU HG- 5.50 (# 5053:20 Single Ambig)
&rst
ixpk= 5053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1881,1882,1875,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:5054 0 AMB 20-1:5054 5.50 (# 5054:20 Double Ambig)
&rst
ixpk= 5054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1881,1882, 445, 446,1875,
igr2= 774, 775, 426, 427, 774, 775,
&end
#
# 0 AMB 20-2:5055 0 AMB 20-1:5055 5.50 (# 5055:20 Double Ambig)
&rst
ixpk= 5055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 361, 362, 757, 758, 759,
igr2= 426, 427, 774, 775,
&end
#
# 0 AMB 20-2:5056 51 ALA HA 5.50 (# 5056:20 Single Ambig)
&rst
ixpk= 5056, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 234, 235,1884,1885,1886,
&end
#
# 16 MET HE1 51 ALA HA 5.50 (# 5057:20 Unique 3.23, 4.10 A)
&rst
ixpk= 5057, nxpk= 20, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 238, 239, 240,
&end
#
# 0 AMB 20-2:5058 51 ALA MB 5.50 (# 5058:20 Single Ambig)
&rst
ixpk= 5058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1923,1873,
igr2= 745, 746, 747,
&end
#
# 0 AMB 20-2:5059 132 ASP HA 5.50 (# 5059:20 Single Ambig)
&rst
ixpk= 5059, nxpk= 20, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2002,2003,1949,1950,
&end
#
# 52 VAL MG1 50 HIS HA 5.50 (# 5060:20 Unique 4.00, 5.28 A)
&rst
ixpk= 5060, nxpk= 20, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 757, 758, 759,
&end
#
# 53 GLU HA 50 HIS HA 5.50 (# 5062:20 Unique 4.92, 4.98 A)
&rst
ixpk= 5062, nxpk= 20, iat= 769, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ALA HN 50 HIS HA 5.50 (# 5063:20 Unique 3.57, 3.58 A)
&rst
ixpk= 5063, nxpk= 20, iat= 741, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5064 0 AMB 20-1:5064 5.50 (# 5064:20 Double Ambig)
&rst
ixpk= 5064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 159, 160, 161, 220, 221,
igr2= 698, 966,
&end
#
# 47 ALA MB 0 AMB 20-1:5065 5.50 (# 5065:20 Single Ambig)
&rst
ixpk= 5065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692,
igr2= 698, 966,
&end
#
# 51 ALA MB 48 THR HB 7.00 (# 5069:20 Unique 4.46, 5.21 A)
&rst
ixpk= 5069, nxpk= 20, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 745, 746, 747,
&end
#
# 15 PRO HD- 48 THR MG2 5.50 (# 5070:20 Unique 5.73, 7.46 A)
&rst
ixpk= 5070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 214, 215,
igr2= 702, 703, 704,
&end
#
# 52 VAL HB 48 THR MG2 5.50 (# 5074:20 Unique 5.57, 6.66 A)
&rst
ixpk= 5074, nxpk= 20, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 702, 703, 704,
&end
#
# 46 LYS HE+ 47 ALA MB 5.50 (# 5075:20 Unique 4.62, 6.81 A)
&rst
ixpk= 5075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678,
igr2= 690, 691, 692,
&end
#
# 63 ASN HN 47 ALA MB 5.50 (# 5076:20 Unique 3.90, 4.99 A)
&rst
ixpk= 5076, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 690, 691, 692,
&end
#
# 65 VAL MG1 46 LYS HA 5.50 (# 5078:20 Unique 3.62, 4.90 A)
&rst
ixpk= 5078, nxpk= 20, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 972,
&end
#
# 65 VAL HA 46 LYS HD+ 5.50 (# 5082:20 Unique 3.88, 5.29 A)
&rst
ixpk= 5082, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 65 VAL MG2 44 ASN HA 5.50 (# 5083:20 Unique 4.58, 5.35 A)
&rst
ixpk= 5083, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 974, 975, 976,
&end
#
# 45 GLY HN 44 ASN HB+ 7.00 (# 5084:20 Unique 3.76, 4.43 A)
&rst
ixpk= 5084, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 647, 648,
&end
#
# 45 GLY HN 44 ASN HB- 7.00 (# 5085:20 Unique 3.76, 4.43 A)
&rst
ixpk= 5085, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 647, 648,
&end
#
# 125 ASP HA 128 LYS HB+ 5.50 (# 5086:20 Unique 2.13, 3.40 A)
&rst
ixpk= 5086, nxpk= 20, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1946,1947,
&end
#
# 0 AMB 20-2:5087 0 AMB 20-1:5087 5.50 (# 5087:20 Double Ambig)
&rst
ixpk= 5087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1545,1546, 143, 144,
igr2=1477, 590,
&end
#
# 0 AMB 20-2:5088 0 AMB 20-1:5088 5.50 (# 5088:20 Double Ambig)
&rst
ixpk= 5088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1564,1565,1566, 578, 579, 580,
igr2=1572, 590,
&end
#
# 90 ILE QG2 40 PHE HA 7.00 (# 5089:20 Unique 6.45, 7.42 A)
&rst
ixpk= 5089, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1354,1355,1356,
&end
#
# 39 VAL HB 40 PHE HB+ 5.50 (# 5091:20 Unique 4.20, 5.04 A)
&rst
ixpk= 5091, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 8 THR HA 40 PHE HB+ 5.50 (# 5092:20 Unique 3.44, 5.02 A)
&rst
ixpk= 5092, nxpk= 20, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 8 THR HA 40 PHE HB- 7.00 (# 5093:20 Unique 3.44, 5.02 A)
&rst
ixpk= 5093, nxpk= 20, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 592, 593,
&end
#
# 67 SER HB- 37 ALA HA 5.50 (# 5097:20 Unique 3.54, 4.70 A)
&rst
ixpk= 5097, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 995, 996,
&end
#
# 37 ALA MB 37 ALA HA 4.50 (# 5098:20 Unique 2.39, 2.67 A)
&rst
ixpk= 5098, nxpk= 20, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 559, 560, 561,
&end
#
# 0 AMB 20-2:5099 35 ARG HA 5.50 (# 5099:20 Single Ambig)
&rst
ixpk= 5099, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1088,1089,1090, 220, 221,
&end
#
# 4 ILE HG1- 35 ARG HA 5.50 (# 5101:20 Unique 5.17, 5.99 A)
&rst
ixpk= 5101, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 62, 63,
&end
#
# 4 ILE QG2 35 ARG HA 5.50 (# 5102:20 Unique 5.02, 6.32 A)
&rst
ixpk= 5102, nxpk= 20, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 58, 59, 60,
&end
#
# 35 ARG HB+ 35 ARG HG+ 3.00 (# 5103:20 Unique 2.19, 2.66 A)
&rst
ixpk= 5103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 524, 525,
igr2= 527, 528,
&end
#
# 35 ARG HG- 34 VAL HA 5.50 (# 5104:20 Unique 3.14, 4.77 A)
&rst
ixpk= 5104, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 527, 528,
&end
#
# 18 GLU HA 34 VAL HB 5.50 (# 5105:20 Unique 3.38, 3.68 A)
&rst
ixpk= 5105, nxpk= 20, iat= 256, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ALA MB 46 LYS HB+ 5.50 (# 5106:20 Unique 3.82, 5.52 A)
&rst
ixpk= 5106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692,
igr2= 668, 669,
&end
#
# 32 VAL HB 33 ASN HA 5.50 (# 5108:20 Unique 3.95, 4.07 A)
&rst
ixpk= 5108, nxpk= 20, iat= 478, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5109 32 VAL MG2 5.50 (# 5109:20 Single Ambig)
&rst
ixpk= 5109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 443, 300,
igr2= 484, 485, 486,
&end
#
# 22 LYS HA 32 VAL MG2 5.50 (# 5110:20 Unique 4.38, 4.69 A)
&rst
ixpk= 5110, nxpk= 20, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 484, 485, 486,
&end
#
# 0 AMB 20-2:5111 32 VAL MG2 5.50 (# 5111:20 Single Ambig)
&rst
ixpk= 5111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 302, 303, 331, 332,
igr2= 484, 485, 486,
&end
#
# 33 ASN HB+ 32 VAL MG2 5.50 (# 5112:20 Unique 5.27, 6.46 A)
&rst
ixpk= 5112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 494, 495,
igr2= 484, 485, 486,
&end
#
# 25 ALA HA 30 LEU HA 5.50 (# 5114:20 Unique 4.93, 5.08 A)
&rst
ixpk= 5114, nxpk= 20, iat= 372, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5115 30 LEU HA 5.50 (# 5115:20 Single Ambig)
&rst
ixpk= 5115, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2263, 382,2195,
&end
#
# 0 AMB 20-2:5116 30 LEU HA 5.50 (# 5116:20 Single Ambig)
&rst
ixpk= 5116, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2271,2272, 423, 424,
&end
#
# 25 ALA HA 28 GLU HA 5.50 (# 5117:20 Unique 5.34, 5.48 A)
&rst
ixpk= 5117, nxpk= 20, iat= 372, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5118 28 GLU HA 5.50 (# 5118:20 Single Ambig)
&rst
ixpk= 5118, nxpk= 20, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 382,
&end
#
# 0 AMB 20-2:5120 28 GLU HA 5.50 (# 5120:20 Single Ambig)
&rst
ixpk= 5120, nxpk= 20, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446, 448,2197,2198,2199,
&end
#
# 30 LEU MD1 28 GLU HA 5.50 (# 5121:20 Unique 5.44, 6.58 A)
&rst
ixpk= 5121, nxpk= 20, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 450, 451, 452,
&end
#
# 0 AMB 20-2:5122 28 GLU HA 4.50 (# 5122:20 Single Ambig)
&rst
ixpk= 5122, nxpk= 20, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 423, 424, 402, 403,
&end
#
# 146 LYS HE+ 28 GLU HB+ 5.50 (# 5123:20 Unique 2.12, 4.52 A)
&rst
ixpk= 5123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2274,2275,
igr2= 423, 424,
&end
#
# 0 AMB 20-2:5124 0 AMB 20-1:5124 3.00 (# 5124:20 Double Ambig)
&rst
ixpk= 5124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 397, 769,
igr2= 399, 400, 771, 772,
&end
#
# 30 LEU HB- 25 ALA HA 5.50 (# 5125:20 Unique 2.22, 2.85 A)
&rst
ixpk= 5125, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 29 GLY HN 25 ALA HA 5.50 (# 5126:20 Unique 3.88, 3.98 A)
&rst
ixpk= 5126, nxpk= 20, iat= 434, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5127 25 ALA HA 3.50 (# 5127:20 Single Ambig)
&rst
ixpk= 5127, nxpk= 20, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 450, 451, 452, 357, 358, 359, 484, 485, 486,
&end
#
# 0 AMB 20-2:5128 25 ALA MB 5.50 (# 5128:20 Single Ambig)
&rst
ixpk= 5128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 384, 385, 426, 427,
igr2= 374, 375, 376,
&end
#
# 0 AMB 20-2:5130 25 ALA MB 5.50 (# 5130:20 Single Ambig)
&rst
ixpk= 5130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 302, 303, 331, 332,
igr2= 374, 375, 376,
&end
#
# 21 PHE QD 25 ALA MB 5.50 (# 5131:20 Unique 2.99, 5.46 A)
&rst
ixpk= 5131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 314,
igr2= 374, 375, 376,
&end
#
# 27 ARG HD+ 24 ILE HA 5.50 (# 5132:20 Unique 3.08, 4.55 A)
&rst
ixpk= 5132, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 405, 406,
&end
#
# 0 AMB 20-2:5133 0 AMB 20-1:5133 5.50 (# 5133:20 Double Ambig)
&rst
ixpk= 5133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1633,1634,2197,2198,2199,
igr2=1722,1723, 353,
&end
#
# 0 AMB 20-2:5134 24 ILE HB 5.50 (# 5134:20 Single Ambig)
&rst
ixpk= 5134, nxpk= 20, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2197,2198,2199,2178,2179,
&end
#
# 24 ILE HN 24 ILE HG1- 5.50 (# 5135:20 Unique 2.45, 3.12 A)
&rst
ixpk= 5135, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 361, 362,
&end
#
# 23 SER HN 24 ILE QG2 7.00 (# 5136:20 Unique 6.86, 7.25 A)
&rst
ixpk= 5136, nxpk= 20, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 357, 358, 359,
&end
#
# 21 PHE HB+ 24 ILE QD1 5.50 (# 5137:20 Unique 4.57, 6.53 A)
&rst
ixpk= 5137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 302, 303,
igr2= 364, 365, 366,
&end
#
# 22 LYS HA 23 SER HA 5.50 (# 5138:20 Unique 4.67, 4.71 A)
&rst
ixpk= 5138, nxpk= 20, iat= 320, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:5139 23 SER HA 5.50 (# 5139:20 Single Ambig)
&rst
ixpk= 5139, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 402, 403, 325, 326, 328, 329,
&end
#
# 0 AMB 20-2:5140 23 SER HA 5.50 (# 5140:20 Single Ambig)
&rst
ixpk= 5140, nxpk= 20, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 898, 899, 900, 357, 358, 359,
&end
#
# 88 LYS HB+ 85 HIS HA 4.50 (# 5141:20 Unique 2.19, 2.76 A)
&rst
ixpk= 5141, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,
&end
#
# 60 ILE QD1 60 ILE HG1- 3.00 (# 5142:20 Unique 2.39, 2.65 A)
&rst
ixpk= 5142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 898, 899, 900,
igr2= 895, 896,
&end
#
# 0 AMB 20-2:5144 0 AMB 20-1:5144 7.00 (# 5144:20 Double Ambig)
&rst
ixpk= 5144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=2050,2051, 258, 259,
igr2= 188, 189, 331, 332,
&end
#
# 19 ALA HA 22 LYS HE+ 5.50 (# 5145:20 Unique 2.65, 5.04 A)
&rst
ixpk= 5145, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 331, 332,
&end
#
# 0 AMB 20-2:5146 0 AMB 20-1:5146 5.50 (# 5146:20 Double Ambig)
&rst
ixpk= 5146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 256, 320,1983,
igr2= 331, 332, 188, 189,
&end
#
# 34 VAL HN 22 LYS HE- 5.50 (# 5147:20 Unique 3.23, 4.87 A)
&rst
ixpk= 5147, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 331, 332,
&end
#
# 17 ALA HA 20 LEU HB+ 5.50 (# 5148:20 Unique 2.73, 3.28 A)
&rst
ixpk= 5148, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 283, 284,
&end
#
# 17 ALA HA 20 LEU HB- 7.00 (# 5149:20 Unique 2.73, 3.28 A)
&rst
ixpk= 5149, nxpk= 20, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 283, 284,
&end
#
# 145 LEU HA 150 ARG HN 7.00 (# 2:10 Unique 3.21, 3.95 A)
&rst
ixpk= 2, nxpk= 10, iat=2244,2341, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 148 ASP HA 150 ARG HN 7.00 (# 7:10 Unique 3.59, 4.67 A)
&rst
ixpk= 7, nxpk= 10, iat=2307,2341, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 149 ARG HA 150 ARG HN 3.50 (# 9:10 Unique 2.15, 3.00 A)
&rst
ixpk= 9, nxpk= 10, iat=2319,2341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 150 ARG HA 150 ARG HN 4.50 (# 10:10 Unique 2.26, 2.72 A)
&rst
ixpk= 10, nxpk= 10, iat=2343,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:11 150 ARG HN 7.00 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2263,2227,
&end
#
# 150 ARG HD+ 150 ARG HN 5.50 (# 12:10 Unique 2.34, 4.15 A)
&rst
ixpk= 12, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2351,2352,
&end
#
# 148 ASP HB+ 150 ARG HN 7.00 (# 13:10 Unique 2.77, 4.73 A)
&rst
ixpk= 13, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2309,2310,
&end
#
# 148 ASP HB- 150 ARG HN 7.00 (# 14:10 Unique 2.77, 4.73 A)
&rst
ixpk= 14, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2309,2310,
&end
#
# 150 ARG HB+ 150 ARG HN 4.50 (# 15:10 Unique 2.26, 3.05 A)
&rst
ixpk= 15, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2345,2346,
&end
#
# 150 ARG HB- 150 ARG HN 4.50 (# 16:10 Unique 2.26, 3.05 A)
&rst
ixpk= 16, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2345,2346,
&end
#
# 150 ARG HG+ 150 ARG HN 4.50 (# 17:10 Unique 1.92, 3.53 A)
&rst
ixpk= 17, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2348,2349,
&end
#
# 145 LEU MD2 150 ARG HN 7.00 (# 18:10 Unique 2.54, 4.34 A)
&rst
ixpk= 18, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2255,2256,2257,
&end
#
# 82 ALA MB 80 VAL HN 7.00 (# 19:10 Unique 6.85, 7.87 A)
&rst
ixpk= 19, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1221,1222,1223,
&end
#
# 103 PHE HN 80 VAL HN 5.50 (# 20:10 Unique 3.81, 3.88 A)
&rst
ixpk= 20, nxpk= 10, iat=1570,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:21 80 VAL HN 5.50 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1580,1584,
&end
#
# 103 PHE QD 80 VAL HN 7.00 (# 22:10 Unique 3.42, 5.69 A)
&rst
ixpk= 22, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1578,1586,
&end
#
# 79 LEU HA 80 VAL HN 3.50 (# 23:10 Unique 2.22, 2.26 A)
&rst
ixpk= 23, nxpk= 10, iat=1165,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HA 80 VAL HN 5.50 (# 24:10 Unique 2.95, 2.96 A)
&rst
ixpk= 24, nxpk= 10, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 VAL HB 80 VAL HN 4.50 (# 25:10 Unique 2.50, 2.67 A)
&rst
ixpk= 25, nxpk= 10, iat=1186,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LYS HB- 80 VAL HN 5.50 (# 26:10 Unique 3.14, 4.19 A)
&rst
ixpk= 26, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1536,1537,
&end
#
# 79 LEU HB+ 80 VAL HN 4.50 (# 27:10 Unique 3.70, 4.07 A)
&rst
ixpk= 27, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1167,1168,
&end
#
# 79 LEU HG 80 VAL HN 5.50 (# 28:10 Unique 2.24, 2.59 A)
&rst
ixpk= 28, nxpk= 10, iat=1170,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:29 80 VAL HN 5.50 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1202,1203,1564,1565,1566,
&end
#
# 0 AMB 10-2:30 80 VAL HN 3.50 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1192,1193,1194,1176,1177,1178,
&end
#
# 79 LEU MD1 80 VAL HN 5.50 (# 31:10 Unique 2.40, 3.57 A)
&rst
ixpk= 31, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1172,1173,1174,
&end
#
# 102 VAL HA 80 VAL HN 5.50 (# 32:10 Unique 2.74, 2.89 A)
&rst
ixpk= 32, nxpk= 10, iat=1556,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:33 80 VAL HN 5.50 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1536,1537,1558,
&end
#
# 0 AMB 10-2:34 80 VAL HN 5.50 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1202,1203,1109,1110,1111,
&end
#
# 0 AMB 10-2:35 80 VAL HN 4.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1188,1189,1190, 97, 98, 99,
&end
#
# 0 AMB 10-2:37 65 VAL HN 7.00 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 980, 933,
&end
#
# 64 HIS HB- 65 VAL HN 7.00 (# 38:10 Unique 3.80, 4.07 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 951, 952,
&end
#
# 65 VAL MG1 65 VAL HN 5.50 (# 39:10 Unique 4.34, 4.71 A)
&rst
ixpk= 39, nxpk= 10, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 972,
&end
#
# 64 HIS HA 65 VAL HN 3.50 (# 40:10 Unique 2.20, 2.25 A)
&rst
ixpk= 40, nxpk= 10, iat= 949, 964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HA 65 VAL HN 5.50 (# 41:10 Unique 2.95, 2.97 A)
&rst
ixpk= 41, nxpk= 10, iat= 966, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:42 65 VAL HN 5.50 (# 42:10 Single Ambig)
&rst
ixpk= 42, nxpk= 10, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 951, 952, 937, 938,
&end
#
# 65 VAL HB 65 VAL HN 4.50 (# 43:10 Unique 2.54, 2.70 A)
&rst
ixpk= 43, nxpk= 10, iat= 968, 964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL MG2 65 VAL HN 4.50 (# 44:10 Unique 2.48, 3.76 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 974, 975, 976,
&end
#
# 103 PHE HN 82 ALA HN 5.50 (# 48:10 Unique 3.28, 3.43 A)
&rst
ixpk= 48, nxpk= 10, iat=1570,1217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:49 82 ALA HN 5.50 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1604,1198,
&end
#
# 0 AMB 10-2:50 82 ALA HN 7.00 (# 50:10 Single Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1227, 91,1244,
&end
#
# 81 LEU HA 82 ALA HN 3.50 (# 51:10 Unique 2.08, 2.11 A)
&rst
ixpk= 51, nxpk= 10, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:52 82 ALA HN 4.50 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1592,1219,
&end
#
# 82 ALA MB 82 ALA HN 3.50 (# 53:10 Unique 2.39, 2.96 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1221,1222,1223,
&end
#
# 0 AMB 10-2:54 82 ALA HN 5.50 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 97, 98, 99,1188,1189,1190,1596,1597,1598,
&end
#
# 0 AMB 10-2:55 82 ALA HN 7.00 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1380,1381,1382,1192,1193,1194,
&end
#
# 81 LEU HG 82 ALA HN 4.50 (# 56:10 Unique 4.12, 4.20 A)
&rst
ixpk= 56, nxpk= 10, iat=1205,1217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:57 82 ALA HN 7.00 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1207,1208,1209,1172,1173,1174,
&end
#
# 0 AMB 10-2:58 82 ALA HN 7.00 (# 58:10 Single Ambig)
&rst
ixpk= 58, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1556,1572,
&end
#
# 81 LEU HB+ 82 ALA HN 7.00 (# 60:10 Unique 4.05, 4.38 A)
&rst
ixpk= 60, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1202,1203,
&end
#
# 0 AMB 10-2:61 82 ALA HN 5.50 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1613,1614,1615,1170,
&end
#
# 0 AMB 10-2:62 82 ALA HN 5.50 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1202,1203,1564,1565,1566,
&end
#
# 69 LEU HN 38 GLY HN 5.50 (# 71:10 Unique 2.69, 2.91 A)
&rst
ixpk= 71, nxpk= 10, iat=1016, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HB- 38 GLY HN 7.00 (# 73:10 Unique 2.82, 3.82 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1020,1021,
&end
#
# 68 PRO HA 38 GLY HN 5.50 (# 75:10 Unique 2.69, 2.79 A)
&rst
ixpk= 75, nxpk= 10, iat=1012, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HA 38 GLY HN 4.50 (# 76:10 Unique 2.38, 2.52 A)
&rst
ixpk= 76, nxpk= 10, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:77 38 GLY HN 7.00 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 984, 985,1018, 995, 996,1003,1004,
&end
#
# 10 ASN HB+ 38 GLY HN 5.50 (# 78:10 Unique 2.75, 3.99 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 10 ASN HB- 38 GLY HN 5.50 (# 79:10 Unique 2.75, 3.99 A)
&rst
ixpk= 79, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 0 AMB 10-2:80 38 GLY HN 4.50 (# 80:10 Single Ambig)
&rst
ixpk= 80, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 559, 560, 561, 612, 613, 614,
&end
#
# 2 ASP HN 3 ILE HN 7.00 (# 81:10 Unique 3.95, 4.14 A)
&rst
ixpk= 81, nxpk= 10, iat= 21, 33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 78 ASP HB- 3 ILE HN 5.50 (# 82:10 Unique 5.64, 6.26 A)
&rst
ixpk= 82, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 3 ILE QD1 3 ILE HN 5.50 (# 83:10 Unique 4.17, 4.76 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 46, 47, 48,
&end
#
# 80 VAL HB 81 LEU HN 7.00 (# 84:10 Unique 4.08, 4.18 A)
&rst
ixpk= 84, nxpk= 10, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 VAL MG1 3 ILE HN 7.00 (# 85:10 Unique 2.87, 4.03 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 510, 511, 512,
&end
#
# 4 ILE HN 3 ILE HN 7.00 (# 86:10 Unique 4.45, 4.49 A)
&rst
ixpk= 86, nxpk= 10, iat= 52, 33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 ILE HN 81 LEU HN 5.50 (# 87:10 Unique 3.65, 3.77 A)
&rst
ixpk= 87, nxpk= 10, iat= 52,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ALA HN 81 LEU HN 7.00 (# 88:10 Unique 3.88, 4.00 A)
&rst
ixpk= 88, nxpk= 10, iat=1217,1198, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 VAL HN 81 LEU HN 7.00 (# 89:10 Unique 3.78, 3.86 A)
&rst
ixpk= 89, nxpk= 10, iat= 91,1198, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 PHE QD 81 LEU HN 5.50 (# 90:10 Unique 4.95, 5.91 A)
&rst
ixpk= 90, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 87,
&end
#
# 5 PHE HA 81 LEU HN 5.50 (# 91:10 Unique 3.09, 3.12 A)
&rst
ixpk= 91, nxpk= 10, iat= 73,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU HA 81 LEU HN 5.50 (# 92:10 Unique 2.94, 2.95 A)
&rst
ixpk= 92, nxpk= 10, iat=1200,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:93 81 LEU HN 7.00 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 35,1229,
&end
#
# 80 VAL HA 81 LEU HN 3.50 (# 94:10 Unique 2.19, 2.23 A)
&rst
ixpk= 94, nxpk= 10, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 LEU HB+ 81 LEU HN 4.50 (# 95:10 Unique 2.58, 2.92 A)
&rst
ixpk= 95, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1202,1203,
&end
#
# 4 ILE HB 81 LEU HN 5.50 (# 96:10 Unique 3.63, 3.77 A)
&rst
ixpk= 96, nxpk= 10, iat= 56,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:97 81 LEU HN 5.50 (# 97:10 Single Ambig)
&rst
ixpk= 97, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1170,1613,1614,1615,
&end
#
# 81 LEU HB- 81 LEU HN 5.50 (# 98:10 Unique 2.58, 2.92 A)
&rst
ixpk= 98, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1202,1203,
&end
#
# 0 AMB 10-2:99 81 LEU HN 4.50 (# 99:10 Single Ambig)
&rst
ixpk= 99, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 97, 98, 99,1188,1189,1190,
&end
#
# 0 AMB 10-2:100 81 LEU HN 5.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 58, 59, 60,1192,1193,1194,1176,1177,1178,
&end
#
# 0 AMB 10-2:101 81 LEU HN 4.50 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1205, 65, 66, 67,
&end
#
# 0 AMB 10-2:102 81 LEU HN 5.50 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1207,1208,1209,1172,1173,1174,
&end
#
# 3 ILE QG2 81 LEU HN 7.00 (# 103:10 Unique 4.03, 4.66 A)
&rst
ixpk= 103, nxpk= 10, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 39, 40, 41,
&end
#
# 0 AMB 10-2:104 62 LEU HN 5.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 811,
&end
#
# 62 LEU HA 62 LEU HN 4.50 (# 106:10 Unique 2.56, 2.73 A)
&rst
ixpk= 106, nxpk= 10, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ALA HA 62 LEU HN 3.50 (# 107:10 Unique 2.35, 2.41 A)
&rst
ixpk= 107, nxpk= 10, iat= 906, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 VAL HA 62 LEU HN 7.00 (# 108:10 Unique 3.68, 3.90 A)
&rst
ixpk= 108, nxpk= 10, iat= 753, 914, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 LEU HB+ 62 LEU HN 4.50 (# 109:10 Unique 2.14, 2.46 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 918, 919,
&end
#
# 55 LEU HB+ 62 LEU HN 7.00 (# 110:10 Unique 2.39, 2.94 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 796, 797,
&end
#
# 61 ALA MB 62 LEU HN 4.50 (# 111:10 Unique 2.49, 4.36 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 908, 909, 910,
&end
#
# 62 LEU HB- 62 LEU HN 4.50 (# 112:10 Unique 2.14, 2.46 A)
&rst
ixpk= 112, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 918, 919,
&end
#
# 52 VAL MG1 62 LEU HN 5.50 (# 113:10 Unique 5.89, 6.73 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 757, 758, 759,
&end
#
# 60 ILE QG2 62 LEU HN 7.00 (# 114:10 Unique 3.80, 5.17 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 891, 892, 893,
&end
#
# 62 LEU QD2 62 LEU HN 5.50 (# 115:10 Unique 4.74, 5.28 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 927, 928, 929,
&end
#
# 62 LEU QD1 62 LEU HN 5.50 (# 116:10 Unique 4.48, 5.12 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 923, 924, 925,
&end
#
# 0 AMB 10-2:120 5 PHE HN 5.50 (# 120:10 Single Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 544,
&end
#
# 5 PHE QD 5 PHE HN 5.50 (# 121:10 Unique 2.66, 3.77 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 87,
&end
#
# 36 SER HA 5 PHE HN 4.50 (# 122:10 Unique 2.35, 2.70 A)
&rst
ixpk= 122, nxpk= 10, iat= 546, 71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ILE HA 5 PHE HN 3.50 (# 123:10 Unique 2.16, 2.18 A)
&rst
ixpk= 123, nxpk= 10, iat= 54, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 PHE HB+ 5 PHE HN 4.50 (# 124:10 Unique 2.34, 3.00 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 75, 76,
&end
#
# 0 AMB 10-2:125 5 PHE HN 5.50 (# 125:10 Single Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 56, 37, 514, 515, 516,
&end
#
# 0 AMB 10-2:126 5 PHE HN 7.00 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 97, 98, 99,1188,1189,1190,
&end
#
# 5 PHE HA 5 PHE HN 5.50 (# 127:10 Unique 2.93, 2.95 A)
&rst
ixpk= 127, nxpk= 10, iat= 73, 71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:128 5 PHE HN 5.50 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 548, 549, 206, 207,
&end
#
# 4 ILE QG2 5 PHE HN 4.50 (# 129:10 Unique 3.18, 3.83 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 58, 59, 60,
&end
#
# 55 LEU MD1 62 LEU HN 7.00 (# 131:10 Unique 4.39, 5.66 A)
&rst
ixpk= 131, nxpk= 10, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 801, 802, 803,
&end
#
# 55 LEU HN 56 PHE HN 4.50 (# 132:10 Unique 2.55, 2.56 A)
&rst
ixpk= 132, nxpk= 10, iat= 792, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLU HN 56 PHE HN 5.50 (# 133:10 Unique 2.62, 2.65 A)
&rst
ixpk= 133, nxpk= 10, iat= 831, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE QE 56 PHE HN 7.00 (# 134:10 Unique 5.46, 6.92 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 821, 825,
&end
#
# 58 LYS HN 56 PHE HN 7.00 (# 135:10 Unique 3.93, 4.00 A)
&rst
ixpk= 135, nxpk= 10, iat= 846, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 PHE HA 56 PHE HN 4.50 (# 137:10 Unique 2.88, 2.89 A)
&rst
ixpk= 137, nxpk= 10, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 LEU HA 56 PHE HN 5.50 (# 138:10 Unique 3.54, 3.54 A)
&rst
ixpk= 138, nxpk= 10, iat= 794, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:139 56 PHE HN 7.00 (# 139:10 Single Ambig)
&rst
ixpk= 139, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 784, 833,
&end
#
# 56 PHE HB- 56 PHE HN 3.50 (# 140:10 Unique 2.27, 2.61 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 815, 816,
&end
#
# 56 PHE HB+ 56 PHE HN 3.50 (# 141:10 Unique 2.27, 2.61 A)
&rst
ixpk= 141, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 815, 816,
&end
#
# 0 AMB 10-2:142 56 PHE HN 7.00 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 835, 836, 918, 919, 771, 772,
&end
#
# 55 LEU HB+ 56 PHE HN 4.50 (# 143:10 Unique 3.03, 3.47 A)
&rst
ixpk= 143, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 796, 797,
&end
#
# 0 AMB 10-2:144 56 PHE HN 5.50 (# 144:10 Single Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 786, 787, 788, 889,
&end
#
# 52 VAL MG1 56 PHE HN 7.00 (# 145:10 Unique 5.14, 6.01 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 757, 758, 759,
&end
#
# 0 AMB 10-2:146 56 PHE HN 7.00 (# 146:10 Single Ambig)
&rst
ixpk= 146, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 801, 802, 803,1884,1885,1886, 898, 899, 900,
&end
#
# 0 AMB 10-2:147 56 PHE HN 7.00 (# 147:10 Single Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 801, 802, 803,1884,1885,1886, 234, 235,
&end
#
# 4 ILE HN 5 PHE HN 7.00 (# 148:10 Unique 4.20, 4.25 A)
&rst
ixpk= 148, nxpk= 10, iat= 52, 71, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 81 LEU HB- 5 PHE HN 7.00 (# 149:10 Unique 5.19, 5.39 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1202,1203,
&end
#
# 105 LEU HG 116 VAL HN 7.00 (# 150:10 Unique 4.05, 4.55 A)
&rst
ixpk= 150, nxpk= 10, iat=1611,1765, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:151 34 VAL HN 3.50 (# 151:10 Single Ambig)
&rst
ixpk= 151, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 492, 506,
&end
#
# 0 AMB 10-2:152 0 AMB 10-1:152 4.50 (# 152:10 Double Ambig)
&rst
ixpk= 152, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 261, 262,1313,1314,
igr2= 504,1570,
&end
#
# 0 AMB 10-2:153 34 VAL HN 5.50 (# 153:10 Single Ambig)
&rst
ixpk= 153, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 328, 329, 325, 326, 527, 528,
&end
#
# 34 VAL MG1 34 VAL HN 4.50 (# 154:10 Unique 2.67, 3.97 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 510, 511, 512,
&end
#
# 0 AMB 10-2:155 0 AMB 10-1:155 4.50 (# 155:10 Double Ambig)
&rst
ixpk= 155, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 494, 495,1664,1665,
igr2= 504,1570,
&end
#
# 118 ASP HA 116 VAL HN 7.00 (# 156:10 Unique 5.27, 5.88 A)
&rst
ixpk= 156, nxpk= 10, iat=1802,1765, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 115 ASP HA 116 VAL HN 3.50 (# 157:10 Unique 2.31, 2.43 A)
&rst
ixpk= 157, nxpk= 10, iat=1755,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 MET HA 116 VAL HN 5.10 (# 158:10 Unique 4.81, 5.05 A)
&rst
ixpk= 158, nxpk= 10, iat=1229,1765, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 116 VAL HA 116 VAL HN 5.50 (# 160:10 Unique 2.90, 2.95 A)
&rst
ixpk= 160, nxpk= 10, iat=1767,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 ASP HB+ 116 VAL HN 5.50 (# 161:10 Unique 3.37, 3.69 A)
&rst
ixpk= 161, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1757,1758,
&end
#
# 0 AMB 10-2:162 116 VAL HN 5.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1757,1758,1636,1637,
&end
#
# 116 VAL HB 116 VAL HN 4.50 (# 163:10 Unique 2.20, 2.51 A)
&rst
ixpk= 163, nxpk= 10, iat=1769,1765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 VAL MG2 116 VAL HN 4.50 (# 164:10 Unique 1.86, 3.13 A)
&rst
ixpk= 164, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1775,1776,1777,
&end
#
# 0 AMB 10-2:165 116 VAL HN 4.50 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1771,1772,1773,1250,1251,1252,
&end
#
# 0 AMB 10-2:166 34 VAL HN 7.00 (# 166:10 Single Ambig)
&rst
ixpk= 166, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 331, 332, 530, 531,
&end
#
# 0 AMB 10-2:167 103 PHE HN 7.00 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1172,1173,1174,1207,1208,1209,
&end
#
# 82 ALA HN 103 PHE HN 5.50 (# 168:10 Unique 3.28, 3.43 A)
&rst
ixpk= 168, nxpk= 10, iat=1217,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE QD 103 PHE HN 4.50 (# 169:10 Unique 2.89, 4.20 A)
&rst
ixpk= 169, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1578,1586,
&end
#
# 102 VAL HN 103 PHE HN 7.00 (# 170:10 Unique 4.31, 4.48 A)
&rst
ixpk= 170, nxpk= 10, iat=1554,1570, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 81 LEU HA 103 PHE HN 5.50 (# 171:10 Unique 2.76, 2.83 A)
&rst
ixpk= 171, nxpk= 10, iat=1200,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:172 103 PHE HN 3.50 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1556,1572,
&end
#
# 0 AMB 10-2:173 103 PHE HN 7.00 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1534,1165,
&end
#
# 103 PHE HB+ 103 PHE HN 5.50 (# 174:10 Unique 2.64, 3.27 A)
&rst
ixpk= 174, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 103 PHE HB- 103 PHE HN 5.50 (# 175:10 Unique 2.64, 3.27 A)
&rst
ixpk= 175, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 102 VAL HB 103 PHE HN 5.50 (# 176:10 Unique 3.32, 3.81 A)
&rst
ixpk= 176, nxpk= 10, iat=1558,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 VAL HB 103 PHE HN 5.50 (# 177:10 Unique 3.92, 4.00 A)
&rst
ixpk= 177, nxpk= 10, iat=1186,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:178 103 PHE HN 4.50 (# 178:10 Single Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1564,1565,1566,1202,1203,
&end
#
# 80 VAL MG1 103 PHE HN 5.50 (# 179:10 Unique 3.81, 5.20 A)
&rst
ixpk= 179, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1188,1189,1190,
&end
#
# 0 AMB 10-2:180 103 PHE HN 5.50 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,1192,1193,1194,
&end
#
# 104 THR HN 103 PHE HN 7.00 (# 181:10 Unique 4.31, 4.33 A)
&rst
ixpk= 181, nxpk= 10, iat=1590,1570, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 134 LEU HN 133 GLU HN 4.50 (# 182:10 Unique 2.37, 2.43 A)
&rst
ixpk= 182, nxpk= 10, iat=2046,2031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 ASP HN 133 GLU HN 4.50 (# 183:10 Unique 2.58, 2.65 A)
&rst
ixpk= 183, nxpk= 10, iat=2019,2031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:184 0 AMB 10-1:184 5.50 (# 184:10 Double Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1731,2021,
igr2=1645,2031,
&end
#
# 0 AMB 10-2:185 133 GLU HN 3.50 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2033,1966,
&end
#
# 130 THR HA 133 GLU HN 5.50 (# 186:10 Unique 3.40, 3.55 A)
&rst
ixpk= 186, nxpk= 10, iat=1983,2031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ARG HA 133 GLU HN 7.00 (# 187:10 Unique 4.35, 4.39 A)
&rst
ixpk= 187, nxpk= 10, iat=1997,2031, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 132 ASP HB+ 133 GLU HN 3.50 (# 188:10 Unique 2.64, 3.33 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2023,2024,
&end
#
# 133 GLU HB+ 133 GLU HN 3.50 (# 189:10 Unique 2.38, 2.53 A)
&rst
ixpk= 189, nxpk= 10, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2035,2036,
&end
#
# 0 AMB 10-2:190 0 AMB 10-1:190 3.50 (# 190:10 Double Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1649,1650,2035,2036,
igr2=1645,2031,
&end
#
# 0 AMB 10-2:191 0 AMB 10-1:191 4.50 (# 191:10 Double Ambig)
&rst
ixpk= 191, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2038,2039,1685,2087,2088,
igr2=2031,1645,
&end
#
# 0 AMB 10-2:192 0 AMB 10-1:192 5.50 (# 192:10 Double Ambig)
&rst
ixpk= 192, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1608,1609,1769,2053,
igr2=1645,2031,
&end
#
# 0 AMB 10-2:193 133 GLU HN 5.50 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1987,1988,1989,2099,2100,
&end
#
# 0 AMB 10-2:194 0 AMB 10-1:194 5.50 (# 194:10 Double Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1611,1790,1791,1792, 288, 289, 290,
igr2=1645,2031,
&end
#
# 135 GLU HN 133 GLU HN 7.00 (# 195:10 Unique 4.03, 4.07 A)
&rst
ixpk= 195, nxpk= 10, iat=2065,2031, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:196 133 GLU HN 7.00 (# 196:10 Single Ambig)
&rst
ixpk= 196, nxpk= 10, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1999,2000,1971,1972,
&end
#
# 81 LEU HG 103 PHE HN 5.50 (# 197:10 Unique 3.79, 3.89 A)
&rst
ixpk= 197, nxpk= 10, iat=1205,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:198 103 PHE HN 7.00 (# 198:10 Single Ambig)
&rst
ixpk= 198, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1580,1584,1668,
&end
#
# 0 AMB 10-2:199 103 PHE HN 7.00 (# 199:10 Single Ambig)
&rst
ixpk= 199, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1221,1222,1223,1313,1314,1539,1540,
&end
#
# 0 AMB 10-2:201 35 ARG HN 5.50 (# 201:10 Single Ambig)
&rst
ixpk= 201, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 33, 504,
&end
#
# 0 AMB 10-2:202 35 ARG HN 5.50 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 544, 555,
&end
#
# 5 PHE QD 35 ARG HN 7.00 (# 203:10 Unique 3.64, 5.62 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 79, 87,
&end
#
# 34 VAL HA 35 ARG HN 3.50 (# 204:10 Unique 2.14, 2.27 A)
&rst
ixpk= 204, nxpk= 10, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ARG HB+ 35 ARG HN 5.50 (# 205:10 Unique 2.61, 3.34 A)
&rst
ixpk= 205, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 524, 525,
&end
#
# 0 AMB 10-2:206 35 ARG HN 4.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528, 524, 525,
&end
#
# 0 AMB 10-2:207 0 AMB 10-1:207 3.50 (# 207:10 Double Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1788, 514, 515, 516, 37,
igr2=1800, 520,
&end
#
# 0 AMB 10-2:208 0 AMB 10-1:208 7.00 (# 208:10 Double Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 62, 63,1775,1776,1777,
igr2= 520,1800,
&end
#
# 0 AMB 10-2:209 0 AMB 10-1:209 5.50 (# 209:10 Double Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 510, 511, 512,1771,1772,1773,
igr2= 520,1800,
&end
#
# 0 AMB 10-2:210 35 ARG HN 5.50 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60, 65, 66, 67,
&end
#
# 4 ILE HA 35 ARG HN 4.50 (# 211:10 Unique 2.59, 2.76 A)
&rst
ixpk= 211, nxpk= 10, iat= 54, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 LEU HN 118 ASP HN 4.50 (# 212:10 Unique 2.89, 4.30 A)
&rst
ixpk= 212, nxpk= 10, iat=1781,1800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ASP HA 118 ASP HN 2.90 (# 214:10 Unique 2.32, 2.88 A)
&rst
ixpk= 214, nxpk= 10, iat=1802,1800, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 116 VAL HA 118 ASP HN 7.00 (# 215:10 Unique 4.44, 5.89 A)
&rst
ixpk= 215, nxpk= 10, iat=1767,1800, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 LEU HA 118 ASP HN 2.40 (# 217:10 Unique 2.18, 2.33 A)
&rst
ixpk= 217, nxpk= 10, iat=1783,1800, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 0 AMB 10-2:218 0 AMB 10-1:218 7.00 (# 218:10 Double Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1983, 206, 207,
igr2=1800, 520,
&end
#
# 0 AMB 10-2:219 0 AMB 10-1:219 3.50 (# 219:10 Double Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1804,1805, 530, 531,
igr2=1800, 520,
&end
#
# 118 ASP HB- 118 ASP HN 2.50 (# 220:10 Unique 2.33, 2.68 A)
&rst
ixpk= 220, nxpk= 10, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1804,1805,
&end
#
# 117 LEU HB+ 118 ASP HN 5.50 (# 221:10 Unique 2.91, 4.28 A)
&rst
ixpk= 221, nxpk= 10, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1785,1786,
&end
#
# 0 AMB 10-2:222 0 AMB 10-1:222 4.50 (# 222:10 Double Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 527, 528,1785,1786,
igr2= 520,1800,
&end
#
# 117 LEU MD2 118 ASP HN 5.50 (# 223:10 Unique 2.36, 4.33 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1794,1795,1796,
&end
#
# 0 AMB 10-2:224 0 AMB 10-1:224 5.50 (# 224:10 Double Ambig)
&rst
ixpk= 224, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1790,1791,1792, 43, 44,
igr2=1800, 520,
&end
#
# 104 THR MG2 107 GLU HN 5.50 (# 225:10 Unique 3.70, 4.55 A)
&rst
ixpk= 225, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1596,1597,1598,
&end
#
# 104 THR HN 107 GLU HN 7.00 (# 226:10 Unique 3.84, 4.09 A)
&rst
ixpk= 226, nxpk= 10, iat=1590,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 106 LYS HN 107 GLU HN 5.50 (# 227:10 Unique 2.37, 2.52 A)
&rst
ixpk= 227, nxpk= 10, iat=1623,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HN 107 GLU HN 7.00 (# 228:10 Unique 3.83, 4.12 A)
&rst
ixpk= 228, nxpk= 10, iat=1681,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 THR HA 107 GLU HN 7.00 (# 230:10 Unique 4.40, 4.52 A)
&rst
ixpk= 230, nxpk= 10, iat=1592,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:231 107 GLU HN 7.00 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1572,1229,
&end
#
# 107 GLU HA 107 GLU HN 4.50 (# 233:10 Unique 2.78, 2.88 A)
&rst
ixpk= 233, nxpk= 10, iat=1647,1645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 LYS HA 107 GLU HN 5.50 (# 234:10 Unique 3.39, 3.47 A)
&rst
ixpk= 234, nxpk= 10, iat=1625,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HG+ 107 GLU HN 4.50 (# 235:10 Unique 4.33, 4.47 A)
&rst
ixpk= 235, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1652,1653,
&end
#
# 107 GLU HB- 107 GLU HN 3.50 (# 236:10 Unique 2.28, 2.49 A)
&rst
ixpk= 236, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1649,1650,
&end
#
# 106 LYS HB+ 107 GLU HN 4.50 (# 237:10 Unique 2.92, 3.68 A)
&rst
ixpk= 237, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1627,1628,
&end
#
# 106 LYS HD- 107 GLU HN 7.00 (# 238:10 Unique 5.27, 5.78 A)
&rst
ixpk= 238, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1633,1634,
&end
#
# 0 AMB 10-2:239 0 AMB 10-1:239 7.00 (# 239:10 Double Ambig)
&rst
ixpk= 239, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1633,1634,1785,1786,
igr2=1645,2031,
&end
#
# 0 AMB 10-2:240 107 GLU HN 5.50 (# 240:10 Single Ambig)
&rst
ixpk= 240, nxpk= 10, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1630,1631,1691,1692,1693,1703,1704,1705,
&end
#
# 0 AMB 10-2:241 0 AMB 10-1:241 7.00 (# 241:10 Double Ambig)
&rst
ixpk= 241, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1722,1723,1662,1944,
igr2=1645,2031,
&end
#
# 0 AMB 10-2:242 4 ILE HN 5.50 (# 242:10 Single Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1182,
&end
#
# 5 PHE HN 4 ILE HN 7.00 (# 243:10 Unique 4.20, 4.25 A)
&rst
ixpk= 243, nxpk= 10, iat= 71, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 79 LEU HN 4 ILE HN 7.00 (# 244:10 Unique 3.75, 3.97 A)
&rst
ixpk= 244, nxpk= 10, iat=1163, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 ILE HA 4 ILE HN 3.50 (# 245:10 Unique 2.24, 2.28 A)
&rst
ixpk= 245, nxpk= 10, iat= 35, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HA 4 ILE HN 5.50 (# 247:10 Unique 2.33, 2.46 A)
&rst
ixpk= 247, nxpk= 10, iat=1184, 52, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:248 4 ILE HN 4.50 (# 248:10 Single Ambig)
&rst
ixpk= 248, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 56, 37,
&end
#
# 77 ALA MB 4 ILE HN 5.50 (# 249:10 Unique 3.56, 4.37 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1145,1146,1147,
&end
#
# 3 ILE HG1+ 4 ILE HN 5.50 (# 250:10 Unique 4.70, 5.05 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 43, 44,
&end
#
# 81 LEU HB- 4 ILE HN 5.50 (# 251:10 Unique 4.05, 5.02 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1202,1203,
&end
#
# 0 AMB 10-2:252 4 ILE HN 5.50 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1188,1189,1190, 97, 98, 99, 46, 47, 48,
&end
#
# 0 AMB 10-2:253 4 ILE HN 4.50 (# 253:10 Single Ambig)
&rst
ixpk= 253, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 58, 59, 60,1176,1177,1178,
&end
#
# 3 ILE QG2 4 ILE HN 4.50 (# 254:10 Unique 2.60, 3.46 A)
&rst
ixpk= 254, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 39, 40, 41,
&end
#
# 4 ILE HG1- 4 ILE HN 5.50 (# 255:10 Unique 2.47, 3.41 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 62, 63,
&end
#
# 88 LYS HN 85 HIS HN 7.00 (# 257:10 Unique 4.69, 4.72 A)
&rst
ixpk= 257, nxpk= 10, iat=1309,1258, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 85 HIS HB+ 85 HIS HN 4.50 (# 258:10 Unique 2.25, 2.70 A)
&rst
ixpk= 258, nxpk= 10, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1262,1263,
&end
#
# 84 THR MG2 85 HIS HN 5.50 (# 259:10 Unique 2.28, 4.50 A)
&rst
ixpk= 259, nxpk= 10, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1250,1251,1252,
&end
#
# 86 GLN HN 85 HIS HN 7.00 (# 260:10 Unique 2.57, 2.65 A)
&rst
ixpk= 260, nxpk= 10, iat=1275,1258, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 85 HIS HD2 85 HIS HN 5.50 (# 261:10 Unique 2.61, 4.21 A)
&rst
ixpk= 261, nxpk= 10, iat=1271,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HA 85 HIS HN 4.50 (# 262:10 Unique 2.29, 2.39 A)
&rst
ixpk= 262, nxpk= 10, iat=1246,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 THR HB 85 HIS HN 4.50 (# 264:10 Unique 2.39, 2.63 A)
&rst
ixpk= 264, nxpk= 10, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 HIS HA 85 HIS HN 5.50 (# 265:10 Unique 2.82, 2.84 A)
&rst
ixpk= 265, nxpk= 10, iat=1260,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 HIS HB- 85 HIS HN 5.50 (# 266:10 Unique 2.25, 2.70 A)
&rst
ixpk= 266, nxpk= 10, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1262,1263,
&end
#
# 104 THR MG2 85 HIS HN 5.50 (# 267:10 Unique 2.69, 3.46 A)
&rst
ixpk= 267, nxpk= 10, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1596,1597,1598,
&end
#
# 2 ASP HB- 33 ASN HN 7.00 (# 268:10 Unique 3.95, 4.78 A)
&rst
ixpk= 268, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 25, 26,
&end
#
# 33 ASN HD2+ 33 ASN HN 7.00 (# 269:10 Unique 4.57, 5.34 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 499, 500,
&end
#
# 32 VAL HN 33 ASN HN 7.00 (# 270:10 Unique 4.32, 4.35 A)
&rst
ixpk= 270, nxpk= 10, iat= 474, 490, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 ASP HA 33 ASN HN 4.50 (# 271:10 Unique 2.44, 2.57 A)
&rst
ixpk= 271, nxpk= 10, iat= 23, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:272 33 ASN HN 4.50 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 492, 506,
&end
#
# 32 VAL HA 33 ASN HN 3.50 (# 273:10 Unique 2.37, 2.46 A)
&rst
ixpk= 273, nxpk= 10, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 ASN HB+ 33 ASN HN 3.50 (# 274:10 Unique 2.75, 3.03 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 494, 495,
&end
#
# 32 VAL HB 33 ASN HN 3.50 (# 275:10 Unique 2.23, 2.29 A)
&rst
ixpk= 275, nxpk= 10, iat= 478, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 VAL MG1 33 ASN HN 7.00 (# 276:10 Unique 3.63, 4.57 A)
&rst
ixpk= 276, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 510, 511, 512,
&end
#
# 32 VAL MG2 33 ASN HN 4.50 (# 277:10 Unique 3.53, 4.25 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 484, 485, 486,
&end
#
# 32 VAL MG1 33 ASN HN 5.50 (# 278:10 Unique 3.95, 4.49 A)
&rst
ixpk= 278, nxpk= 10, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 480, 481, 482,
&end
#
# 7 CYS HA 7 CYS HN 7.00 (# 282:10 Unique 2.88, 2.93 A)
&rst
ixpk= 282, nxpk= 10, iat= 109, 107, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:283 7 CYS HN 7.00 (# 283:10 Single Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 120, 574,
&end
#
# 83 MET HB+ 7 CYS HN 5.50 (# 284:10 Unique 4.76, 6.01 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1231,1232,
&end
#
# 14 SER HB+ 7 CYS HN 7.00 (# 287:10 Unique 3.72, 4.24 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 206, 207,
&end
#
# 0 AMB 10-2:288 7 CYS HN 5.50 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 565,
&end
#
# 6 VAL HA 7 CYS HN 3.50 (# 289:10 Unique 2.02, 2.07 A)
&rst
ixpk= 289, nxpk= 10, iat= 93, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 VAL MG2 7 CYS HN 4.50 (# 290:10 Unique 2.45, 3.51 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 101, 102, 103,
&end
#
# 0 AMB 10-2:291 7 CYS HN 5.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 582, 583, 584, 97, 98, 99,
&end
#
# 21 PHE HN 24 ILE HN 7.00 (# 292:10 Unique 4.60, 4.66 A)
&rst
ixpk= 292, nxpk= 10, iat= 298, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 103 PHE HA 108 TYR HN 5.50 (# 296:10 Unique 5.03, 5.19 A)
&rst
ixpk= 296, nxpk= 10, iat=1572,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HN 108 TYR HN 7.00 (# 298:10 Unique 3.65, 3.83 A)
&rst
ixpk= 298, nxpk= 10, iat=1590,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 112 SER HN 108 TYR HN 7.00 (# 299:10 Unique 5.35, 5.68 A)
&rst
ixpk= 299, nxpk= 10, iat=1718,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 109 VAL HN 108 TYR HN 4.50 (# 300:10 Unique 2.75, 2.81 A)
&rst
ixpk= 300, nxpk= 10, iat=1681,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:301 108 TYR HN 7.00 (# 301:10 Single Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1578,1586,2237,2238,
&end
#
# 0 AMB 10-2:302 108 TYR HN 5.50 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1586,1668,
&end
#
# 0 AMB 10-2:303 108 TYR HN 5.50 (# 303:10 Single Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1647,1606,
&end
#
# 108 TYR HA 108 TYR HN 4.50 (# 304:10 Unique 2.79, 2.81 A)
&rst
ixpk= 304, nxpk= 10, iat=1662,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE HB+ 108 TYR HN 5.50 (# 305:10 Unique 3.02, 3.77 A)
&rst
ixpk= 305, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 107 GLU HG+ 108 TYR HN 4.50 (# 306:10 Unique 3.54, 4.18 A)
&rst
ixpk= 306, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1652,1653,
&end
#
# 108 TYR HB+ 108 TYR HN 3.50 (# 307:10 Unique 2.33, 2.47 A)
&rst
ixpk= 307, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1664,1665,
&end
#
# 103 PHE HB- 108 TYR HN 5.50 (# 308:10 Unique 3.02, 3.77 A)
&rst
ixpk= 308, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 107 GLU HG- 108 TYR HN 4.50 (# 309:10 Unique 3.54, 4.18 A)
&rst
ixpk= 309, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1652,1653,
&end
#
# 107 GLU HB- 108 TYR HN 5.50 (# 310:10 Unique 2.46, 3.21 A)
&rst
ixpk= 310, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1649,1650,
&end
#
# 109 VAL MG2 108 TYR HN 5.50 (# 311:10 Unique 3.77, 5.04 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1691,1692,1693,
&end
#
# 81 LEU HG 108 TYR HN 5.50 (# 312:10 Unique 5.16, 5.33 A)
&rst
ixpk= 312, nxpk= 10, iat=1205,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HN 24 ILE HN 5.50 (# 314:10 Unique 2.62, 2.66 A)
&rst
ixpk= 314, nxpk= 10, iat= 370, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 SER HN 24 ILE HN 5.50 (# 315:10 Unique 2.75, 2.79 A)
&rst
ixpk= 315, nxpk= 10, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HA 24 ILE HN 5.50 (# 316:10 Unique 3.07, 3.11 A)
&rst
ixpk= 316, nxpk= 10, iat= 300, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:317 24 ILE HN 4.50 (# 317:10 Single Ambig)
&rst
ixpk= 317, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 344, 345, 281,
&end
#
# 24 ILE HA 24 ILE HN 4.50 (# 318:10 Unique 2.85, 2.87 A)
&rst
ixpk= 318, nxpk= 10, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HG1- 24 ILE HN 3.50 (# 319:10 Unique 2.45, 3.12 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 361, 362,
&end
#
# 24 ILE HB 24 ILE HN 4.50 (# 320:10 Unique 2.32, 2.38 A)
&rst
ixpk= 320, nxpk= 10, iat= 355, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:321 24 ILE HN 5.50 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 374, 375, 376, 895, 896,
&end
#
# 0 AMB 10-2:322 24 ILE HN 3.50 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 364, 365, 366, 357, 358, 359, 898, 899, 900,
&end
#
# 22 LYS HN 24 ILE HN 7.00 (# 323:10 Unique 4.12, 4.18 A)
&rst
ixpk= 323, nxpk= 10, iat= 318, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 103 PHE HA 108 TYR HN 7.00 (# 324:10 Unique 5.03, 5.19 A)
&rst
ixpk= 324, nxpk= 10, iat=1572,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 127 TYR QD 127 TYR HN 5.50 (# 325:10 Unique 2.27, 3.65 A)
&rst
ixpk= 325, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1929,1938,
&end
#
# 129 GLN HA 127 TYR HN 7.00 (# 326:10 Unique 6.92, 6.95 A)
&rst
ixpk= 326, nxpk= 10, iat=1966,1921, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 126 ILE HN 127 TYR HN 4.50 (# 327:10 Unique 2.36, 2.50 A)
&rst
ixpk= 327, nxpk= 10, iat=1902,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 TYR HD2 127 TYR HN 4.70 (# 328:10 Unique 2.27, 3.55 A)
&rst
ixpk= 328, nxpk= 10, iat=1929,1921, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 0 AMB 10-2:330 127 TYR HN 5.50 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1892,1822,
&end
#
# 126 ILE HA 127 TYR HN 5.50 (# 331:10 Unique 3.54, 3.56 A)
&rst
ixpk= 331, nxpk= 10, iat=1904,1921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:332 127 TYR HN 4.50 (# 332:10 Single Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1923,1873,
&end
#
# 127 TYR HB+ 127 TYR HN 4.50 (# 333:10 Unique 2.27, 2.97 A)
&rst
ixpk= 333, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1925,1926,
&end
#
# 127 TYR HB- 127 TYR HN 4.50 (# 334:10 Unique 2.27, 2.97 A)
&rst
ixpk= 334, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1925,1926,
&end
#
# 126 ILE HB 127 TYR HN 4.50 (# 335:10 Unique 2.57, 2.68 A)
&rst
ixpk= 335, nxpk= 10, iat=1906,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 LYS HB+ 127 TYR HN 5.50 (# 336:10 Unique 4.40, 5.17 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1946,1947,
&end
#
# 0 AMB 10-2:337 127 TYR HN 5.50 (# 337:10 Single Ambig)
&rst
ixpk= 337, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1819,1820,1912,1913, 786, 787, 788,
&end
#
# 0 AMB 10-2:338 127 TYR HN 5.50 (# 338:10 Single Ambig)
&rst
ixpk= 338, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1881,1882,1875,
&end
#
# 126 ILE QG2 127 TYR HN 5.50 (# 339:10 Unique 3.80, 4.57 A)
&rst
ixpk= 339, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1908,1909,1910,
&end
#
# 40 PHE QD 41 ALA HN 7.00 (# 340:10 Unique 4.88, 5.55 A)
&rst
ixpk= 340, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 596, 604,
&end
#
# 40 PHE HB- 41 ALA HN 7.00 (# 341:10 Unique 3.96, 4.29 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 592, 593,
&end
#
# 40 PHE HN 41 ALA HN 5.50 (# 342:10 Unique 2.25, 2.56 A)
&rst
ixpk= 342, nxpk= 10, iat= 588, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 PHE HA 41 ALA HN 4.50 (# 343:10 Unique 2.26, 2.89 A)
&rst
ixpk= 343, nxpk= 10, iat= 590, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ALA HA 41 ALA HN 5.50 (# 345:10 Unique 2.88, 2.91 A)
&rst
ixpk= 345, nxpk= 10, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 PHE HB+ 41 ALA HN 7.00 (# 346:10 Unique 3.96, 4.29 A)
&rst
ixpk= 346, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 592, 593,
&end
#
# 41 ALA MB 41 ALA HN 3.50 (# 347:10 Unique 2.33, 2.99 A)
&rst
ixpk= 347, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 612, 613, 614,
&end
#
# 0 AMB 10-2:348 41 ALA HN 7.00 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 574, 120,
&end
#
# 52 VAL HB 51 ALA HN 7.00 (# 350:10 Unique 4.52, 4.54 A)
&rst
ixpk= 350, nxpk= 10, iat= 755, 741, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 PHE QD 71 GLU HN 7.00 (# 351:10 Unique 4.09, 5.69 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1432,1440,
&end
#
# 0 AMB 10-2:352 131 ARG HN 7.00 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1964,1921,
&end
#
# 130 THR HB 131 ARG HN 4.50 (# 353:10 Unique 2.56, 2.86 A)
&rst
ixpk= 353, nxpk= 10, iat=1985,1995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 THR HA 131 ARG HN 5.50 (# 354:10 Unique 3.56, 3.59 A)
&rst
ixpk= 354, nxpk= 10, iat=1983,1995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:355 131 ARG HN 3.50 (# 355:10 Single Ambig)
&rst
ixpk= 355, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1944,1997,
&end
#
# 132 ASP HB+ 131 ARG HN 5.50 (# 356:10 Unique 4.90, 5.05 A)
&rst
ixpk= 356, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2023,2024,
&end
#
# 131 ARG HB+ 131 ARG HN 4.50 (# 357:10 Unique 2.34, 3.03 A)
&rst
ixpk= 357, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1999,2000,
&end
#
# 0 AMB 10-2:358 131 ARG HN 5.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 238, 239, 240,1968,1969,
&end
#
# 131 ARG HB- 131 ARG HN 4.50 (# 359:10 Unique 2.34, 3.03 A)
&rst
ixpk= 359, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1999,2000,
&end
#
# 131 ARG QG 131 ARG HN 4.50 (# 360:10 Unique 2.46, 3.40 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2002,2003,
&end
#
# 0 AMB 10-2:361 131 ARG HN 5.50 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 786, 787, 788,1819,1820,1785,1786,
&end
#
# 130 THR MG2 131 ARG HN 5.50 (# 362:10 Unique 2.43, 3.94 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1987,1988,1989,
&end
#
# 0 AMB 10-2:363 131 ARG HN 5.50 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1790,1791,1792, 288, 289, 290, 286,
&end
#
# 128 LYS HN 127 TYR HN 5.50 (# 366:10 Unique 2.52, 2.62 A)
&rst
ixpk= 366, nxpk= 10, iat=1942,1921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:368 127 TYR HN 5.50 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1884,1885,1886,1877,1878,1879,1794,1795,1796,
&end
#
# 0 AMB 10-2:369 51 ALA HN 7.00 (# 369:10 Single Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 690, 691, 692,1816,1817,
&end
#
# 51 ALA MB 51 ALA HN 4.50 (# 370:10 Unique 2.41, 2.89 A)
&rst
ixpk= 370, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 745, 746, 747,
&end
#
# 0 AMB 10-2:371 51 ALA HN 5.50 (# 371:10 Single Ambig)
&rst
ixpk= 371, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 757, 758, 759, 761, 762, 763,
&end
#
# 52 VAL HN 51 ALA HN 5.50 (# 372:10 Unique 2.61, 2.63 A)
&rst
ixpk= 372, nxpk= 10, iat= 751, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HIS HA 51 ALA HN 7.00 (# 373:10 Unique 3.57, 3.58 A)
&rst
ixpk= 373, nxpk= 10, iat= 726, 741, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 THR HB 51 ALA HN 7.00 (# 374:10 Unique 3.69, 3.75 A)
&rst
ixpk= 374, nxpk= 10, iat= 700, 741, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 51 ALA HA 51 ALA HN 5.50 (# 375:10 Unique 2.84, 2.85 A)
&rst
ixpk= 375, nxpk= 10, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HIS HB2 51 ALA HN 5.50 (# 376:10 Unique 2.95, 3.01 A)
&rst
ixpk= 376, nxpk= 10, iat= 728, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:377 51 ALA HN 5.50 (# 377:10 Single Ambig)
&rst
ixpk= 377, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 702, 703, 704, 786, 787, 788,
&end
#
# 0 AMB 10-2:378 51 ALA HN 7.00 (# 378:10 Single Ambig)
&rst
ixpk= 378, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1881,1882,1816,1817,
&end
#
# 0 AMB 10-2:379 71 GLU HN 7.00 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1079,1098,
&end
#
# 95 PHE HD2 71 GLU HN 5.50 (# 380:10 Unique 4.09, 4.28 A)
&rst
ixpk= 380, nxpk= 10, iat=1440,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HB 71 GLU HN 3.50 (# 382:10 Unique 2.37, 2.41 A)
&rst
ixpk= 382, nxpk= 10, iat=1039,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HG+ 71 GLU HN 7.00 (# 383:10 Unique 4.27, 4.40 A)
&rst
ixpk= 383, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1056,1057,
&end
#
# 71 GLU HG- 71 GLU HN 7.00 (# 384:10 Unique 4.27, 4.40 A)
&rst
ixpk= 384, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1056,1057,
&end
#
# 71 GLU HB+ 71 GLU HN 4.50 (# 385:10 Unique 2.26, 2.45 A)
&rst
ixpk= 385, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1053,1054,
&end
#
# 72 GLU HN 71 GLU HN 5.50 (# 386:10 Unique 2.80, 2.81 A)
&rst
ixpk= 386, nxpk= 10, iat=1064,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HA 71 GLU HN 5.50 (# 387:10 Unique 2.76, 2.78 A)
&rst
ixpk= 387, nxpk= 10, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HB- 71 GLU HN 4.50 (# 388:10 Unique 2.26, 2.45 A)
&rst
ixpk= 388, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1053,1054,
&end
#
# 0 AMB 10-2:389 71 GLU HN 7.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1068,1069,1006,1007,1119,1120,
&end
#
# 70 THR MG2 71 GLU HN 5.50 (# 390:10 Unique 3.49, 4.26 A)
&rst
ixpk= 390, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 138 LEU HN 139 ARG HN 4.50 (# 391:10 Unique 2.54, 2.62 A)
&rst
ixpk= 391, nxpk= 10, iat=2114,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 LEU HN 139 ARG HN 7.00 (# 392:10 Unique 3.99, 4.07 A)
&rst
ixpk= 392, nxpk= 10, iat=2095,2133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 140 GLN HN 139 ARG HN 4.50 (# 393:10 Unique 2.63, 2.67 A)
&rst
ixpk= 393, nxpk= 10, iat=2157,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:394 139 ARG HN 3.50 (# 394:10 Single Ambig)
&rst
ixpk= 394, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2135,2082,2097,
&end
#
# 139 ARG HD+ 139 ARG HN 5.50 (# 395:10 Unique 4.00, 4.93 A)
&rst
ixpk= 395, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2143,2144,
&end
#
# 0 AMB 10-2:396 139 ARG HN 3.50 (# 396:10 Single Ambig)
&rst
ixpk= 396, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2137,2138,2140,2141,
&end
#
# 139 ARG HB- 139 ARG HN 4.50 (# 397:10 Unique 2.33, 2.76 A)
&rst
ixpk= 397, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2137,2138,
&end
#
# 139 ARG HG+ 139 ARG HN 4.50 (# 398:10 Unique 2.56, 3.84 A)
&rst
ixpk= 398, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2140,2141,
&end
#
# 0 AMB 10-2:399 139 ARG HN 5.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=2178,2179,2197,2198,2199,2210,2211,
&end
#
# 0 AMB 10-2:400 139 ARG HN 5.50 (# 400:10 Single Ambig)
&rst
ixpk= 400, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2121,1691,1692,1693,
&end
#
# 0 AMB 10-2:401 139 ARG HN 4.50 (# 401:10 Single Ambig)
&rst
ixpk= 401, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 364, 365, 366, 357, 358, 359,
&end
#
# 135 GLU HA 139 ARG HN 7.00 (# 402:10 Unique 3.92, 4.01 A)
&rst
ixpk= 402, nxpk= 10, iat=2067,2133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:403 139 ARG HN 4.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2072,2073,2069,2070,
&end
#
# 0 AMB 10-2:404 139 ARG HN 5.50 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2127,2128,2129,2108,2109,2110,
&end
#
# 82 ALA HN 105 LEU HN 5.50 (# 405:10 Unique 3.67, 3.90 A)
&rst
ixpk= 405, nxpk= 10, iat=1217,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HN 105 LEU HN 5.50 (# 406:10 Unique 3.10, 3.20 A)
&rst
ixpk= 406, nxpk= 10, iat=1623,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HA 105 LEU HN 3.50 (# 407:10 Unique 2.32, 2.34 A)
&rst
ixpk= 407, nxpk= 10, iat=1592,1604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 LEU HB+ 105 LEU HN 4.50 (# 409:10 Unique 2.24, 2.49 A)
&rst
ixpk= 409, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1608,1609,
&end
#
# 0 AMB 10-2:410 0 AMB 10-1:410 4.50 (# 410:10 Double Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 745, 746, 747,2210,2211,1202,1203,2140,2141,1633,
1634,
igr2= 767,2174,1604,
&end
#
# 105 LEU HB- 105 LEU HN 3.50 (# 411:10 Unique 2.24, 2.49 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1608,1609,
&end
#
# 104 THR MG2 105 LEU HN 5.50 (# 412:10 Unique 2.25, 3.12 A)
&rst
ixpk= 412, nxpk= 10, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1596,1597,1598,
&end
#
# 81 LEU HG 105 LEU HN 7.00 (# 413:10 Unique 5.81, 5.90 A)
&rst
ixpk= 413, nxpk= 10, iat=1205,1604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:414 0 AMB 10-1:414 5.50 (# 414:10 Double Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1611, 357, 358, 359,
igr2=1604,2174,
&end
#
# 0 AMB 10-2:415 131 ARG HN 7.00 (# 415:10 Single Ambig)
&rst
ixpk= 415, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2050,2051,1968,1969,
&end
#
# 0 AMB 10-2:416 69 LEU HN 7.00 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 582, 583, 584, 97, 98, 99,
&end
#
# 38 GLY HN 69 LEU HN 5.50 (# 417:10 Unique 2.69, 2.91 A)
&rst
ixpk= 417, nxpk= 10, iat= 565,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HA 69 LEU HN 3.50 (# 418:10 Unique 2.23, 2.30 A)
&rst
ixpk= 418, nxpk= 10, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 LEU HA 69 LEU HN 5.50 (# 419:10 Unique 2.92, 2.96 A)
&rst
ixpk= 419, nxpk= 10, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HB+ 69 LEU HN 5.50 (# 420:10 Unique 2.86, 3.37 A)
&rst
ixpk= 420, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1009,1010,
&end
#
# 69 LEU HB+ 69 LEU HN 3.50 (# 421:10 Unique 2.36, 2.60 A)
&rst
ixpk= 421, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1020,1021,
&end
#
# 0 AMB 10-2:422 69 LEU HN 4.50 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 559, 560, 561, 612, 613, 614,
&end
#
# 69 LEU HB- 69 LEU HN 3.50 (# 423:10 Unique 2.36, 2.60 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1020,1021,
&end
#
# 0 AMB 10-2:424 69 LEU HN 5.50 (# 424:10 Single Ambig)
&rst
ixpk= 424, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1025,1026,1027, 58, 59, 60,
&end
#
# 0 AMB 10-2:425 69 LEU HN 7.00 (# 425:10 Single Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 557,1039,
&end
#
# 76 SER HA 77 ALA HN 5.50 (# 432:10 Unique 3.58, 3.60 A)
&rst
ixpk= 432, nxpk= 10, iat=1132,1141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ALA HA 77 ALA HN 4.50 (# 433:10 Unique 2.87, 2.90 A)
&rst
ixpk= 433, nxpk= 10, iat=1143,1141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:434 77 ALA HN 4.50 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1134,1135,1100,
&end
#
# 75 GLU HA 77 ALA HN 7.00 (# 435:10 Unique 3.88, 4.16 A)
&rst
ixpk= 435, nxpk= 10, iat=1117,1141, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:436 77 ALA HN 7.00 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1086,1542,1543,1083,1084,
&end
#
# 77 ALA MB 77 ALA HN 3.50 (# 437:10 Unique 2.45, 2.92 A)
&rst
ixpk= 437, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1145,1146,1147,
&end
#
# 0 AMB 10-2:438 77 ALA HN 7.00 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1192,1193,1194,1025,1026,1027,
&end
#
# 4 ILE QD1 77 ALA HN 5.50 (# 439:10 Unique 3.30, 4.29 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 65, 66, 67,
&end
#
# 115 ASP HA 115 ASP HN 2.90 (# 441:10 Unique 2.90, 2.96 A)
&rst
ixpk= 441, nxpk= 10, iat=1755,1753, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 115 ASP HB+ 115 ASP HN 3.00 (# 443:10 Unique 2.64, 2.96 A)
&rst
ixpk= 443, nxpk= 10, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1757,1758,
&end
#
# 106 LYS HG+ 115 ASP HN 7.00 (# 444:10 Unique 2.96, 3.53 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1630,1631,
&end
#
# 115 ASP HB- 115 ASP HN 3.00 (# 446:10 Unique 2.64, 2.96 A)
&rst
ixpk= 446, nxpk= 10, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1757,1758,
&end
#
# 0 AMB 10-2:448 0 AMB 10-1:448 3.50 (# 448:10 Double Ambig)
&rst
ixpk= 448, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 771, 772,2102,1234,1235,1238,1239,1240,
igr2= 767,2174,1604,
&end
#
# 0 AMB 10-2:449 0 AMB 10-1:449 3.50 (# 449:10 Double Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 757, 758, 759,1687,1688,1689,
igr2= 767,2174,
&end
#
# 138 LEU HN 141 LEU HN 7.00 (# 450:10 Unique 4.46, 4.57 A)
&rst
ixpk= 450, nxpk= 10, iat=2114,2174, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 142 ALA HN 141 LEU HN 4.50 (# 451:10 Unique 2.80, 2.82 A)
&rst
ixpk= 451, nxpk= 10, iat=2193,2174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 PHE QE 141 LEU HN 7.00 (# 452:10 Unique 4.15, 6.42 A)
&rst
ixpk= 452, nxpk= 10, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 308, 312,
&end
#
# 141 LEU HA 141 LEU HN 4.50 (# 453:10 Unique 2.77, 2.82 A)
&rst
ixpk= 453, nxpk= 10, iat=2176,2174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:454 0 AMB 10-1:454 4.50 (# 454:10 Double Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1606,2116,
igr2=1604,2174,
&end
#
# 0 AMB 10-2:455 0 AMB 10-1:455 3.50 (# 455:10 Double Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 769,2159,2097,
igr2= 767,2174,
&end
#
# 0 AMB 10-2:456 0 AMB 10-1:456 7.00 (# 456:10 Double Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2164,2165,1757,1758,
igr2=2174,1604,
&end
#
# 0 AMB 10-2:457 141 LEU HN 3.50 (# 457:10 Single Ambig)
&rst
ixpk= 457, nxpk= 10, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2178,2179,2161,2162,
&end
#
# 141 LEU HB- 141 LEU HN 3.50 (# 458:10 Unique 2.12, 2.74 A)
&rst
ixpk= 458, nxpk= 10, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2178,2179,
&end
#
# 0 AMB 10-2:459 0 AMB 10-1:459 4.50 (# 459:10 Double Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1691,1692,1693,2121,1775,1776,1777,
igr2=2174,1604,
&end
#
# 0 AMB 10-2:460 0 AMB 10-1:460 3.50 (# 460:10 Double Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2183,2184,2185,1884,1885,1886,
igr2=2174, 767,
&end
#
# 141 LEU HG 141 LEU HN 5.50 (# 461:10 Unique 4.04, 4.17 A)
&rst
ixpk= 461, nxpk= 10, iat=2181,2174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 GLN HN 141 LEU HN 4.50 (# 462:10 Unique 2.63, 2.68 A)
&rst
ixpk= 462, nxpk= 10, iat=2157,2174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 THR MG2 69 LEU HN 7.00 (# 468:10 Unique 4.09, 5.19 A)
&rst
ixpk= 468, nxpk= 10, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1041,1042,1043,
&end
#
# 78 ASP HN 77 ALA HN 7.00 (# 470:10 Unique 4.56, 4.59 A)
&rst
ixpk= 470, nxpk= 10, iat=1151,1141, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 75 GLU HN 77 ALA HN 7.00 (# 471:10 Unique 4.00, 4.12 A)
&rst
ixpk= 471, nxpk= 10, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:472 77 ALA HN 7.00 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 25, 26,1155,1156,
&end
#
# 75 GLU HB- 77 ALA HN 7.00 (# 473:10 Unique 5.24, 5.43 A)
&rst
ixpk= 473, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1119,1120,
&end
#
# 0 AMB 10-2:474 0 AMB 10-1:474 7.00 (# 474:10 Double Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
igr1= 792,1765,2095,1681,1309,
igr2= 767,1604,2174,
&end
#
# 52 VAL HN 53 GLU HN 5.50 (# 475:10 Unique 2.62, 2.65 A)
&rst
ixpk= 475, nxpk= 10, iat= 751, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 HIS HA 53 GLU HN 5.50 (# 476:10 Unique 3.02, 3.05 A)
&rst
ixpk= 476, nxpk= 10, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:477 0 AMB 10-1:477 7.00 (# 477:10 Double Ambig)
&rst
ixpk= 477, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 784,1625,2205, 712,
igr2= 767,1604,2174,
&end
#
# 52 VAL HA 53 GLU HN 5.50 (# 478:10 Unique 3.52, 3.53 A)
&rst
ixpk= 478, nxpk= 10, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:479 53 GLU HN 3.50 (# 479:10 Single Ambig)
&rst
ixpk= 479, nxpk= 10, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 755, 774, 775,
&end
#
# 0 AMB 10-2:480 0 AMB 10-1:480 3.50 (# 480:10 Double Ambig)
&rst
ixpk= 480, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 771, 772,2161,2162,
igr2= 767,2174,
&end
#
# 86 GLN HB+ 86 GLN HN 5.50 (# 483:10 Unique 2.45, 2.55 A)
&rst
ixpk= 483, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1279,1280,
&end
#
# 86 GLN HB- 86 GLN HN 5.50 (# 484:10 Unique 2.45, 2.55 A)
&rst
ixpk= 484, nxpk= 10, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1279,1280,
&end
#
# 84 THR HB 86 GLN HN 5.50 (# 485:10 Unique 2.48, 2.85 A)
&rst
ixpk= 485, nxpk= 10, iat=1248,1275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLN HA 86 GLN HN 5.50 (# 486:10 Unique 2.82, 2.84 A)
&rst
ixpk= 486, nxpk= 10, iat=1277,1275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ASP HA 120 PHE HN 5.50 (# 488:10 Unique 3.58, 3.72 A)
&rst
ixpk= 488, nxpk= 10, iat=1802,1826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ASP HB- 120 PHE HN 7.00 (# 489:10 Unique 4.16, 4.68 A)
&rst
ixpk= 489, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1804,1805,
&end
#
# 120 PHE QD 120 PHE HN 5.50 (# 490:10 Unique 4.48, 4.73 A)
&rst
ixpk= 490, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1834,1842,
&end
#
# 119 PRO HA 120 PHE HN 3.50 (# 492:10 Unique 3.37, 3.44 A)
&rst
ixpk= 492, nxpk= 10, iat=1822,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 PRO HD3 120 PHE HN 4.50 (# 494:10 Unique 3.71, 3.98 A)
&rst
ixpk= 494, nxpk= 10, iat=1814,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE HB- 120 PHE HN 5.50 (# 495:10 Unique 2.36, 2.51 A)
&rst
ixpk= 495, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1830,1831,
&end
#
# 119 PRO HD2 120 PHE HN 3.50 (# 496:10 Unique 2.34, 2.75 A)
&rst
ixpk= 496, nxpk= 10, iat=1813,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:497 120 PHE HN 5.50 (# 497:10 Single Ambig)
&rst
ixpk= 497, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1819,1820, 702, 703, 704,
&end
#
# 119 PRO HG+ 120 PHE HN 5.50 (# 498:10 Unique 2.93, 3.76 A)
&rst
ixpk= 498, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1816,1817,
&end
#
# 119 PRO HG- 120 PHE HN 5.50 (# 499:10 Unique 2.93, 3.76 A)
&rst
ixpk= 499, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1816,1817,
&end
#
# 89 GLN HG+ 90 ILE HN 7.00 (# 509:10 Unique 4.52, 4.95 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1338,1339,
&end
#
# 91 ILE HN 90 ILE HN 5.50 (# 510:10 Unique 2.62, 2.64 A)
&rst
ixpk= 510, nxpk= 10, iat=1367,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:511 90 ILE HN 7.00 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1309,1396,
&end
#
# 39 VAL MG2 90 ILE HN 5.50 (# 512:10 Unique 5.07, 6.26 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 582, 583, 584,
&end
#
# 0 AMB 10-2:513 90 ILE HN 7.00 (# 513:10 Single Ambig)
&rst
ixpk= 513, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1313,1314,1221,1222,1223,
&end
#
# 0 AMB 10-2:520 90 ILE HN 7.00 (# 520:10 Single Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1311,1369,
&end
#
# 89 GLN HN 90 ILE HN 5.50 (# 521:10 Unique 2.70, 2.73 A)
&rst
ixpk= 521, nxpk= 10, iat=1331,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HA 90 ILE HN 5.50 (# 522:10 Unique 3.07, 3.26 A)
&rst
ixpk= 522, nxpk= 10, iat=1294,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLN HA 90 ILE HN 7.00 (# 523:10 Unique 3.99, 4.13 A)
&rst
ixpk= 523, nxpk= 10, iat=1277,1348, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:524 90 ILE HN 5.50 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1333,1400,1401,
&end
#
# 90 ILE HA 90 ILE HN 4.50 (# 525:10 Unique 2.86, 2.87 A)
&rst
ixpk= 525, nxpk= 10, iat=1350,1348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:526 90 ILE HN 5.50 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1282,1283,1338,1339,
&end
#
# 89 GLN HB- 90 ILE HN 4.50 (# 527:10 Unique 2.84, 3.29 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1335,1336,
&end
#
# 0 AMB 10-2:528 90 ILE HN 3.50 (# 528:10 Single Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1358,1359,1352,
&end
#
# 90 ILE HG1+ 90 ILE HN 4.50 (# 529:10 Unique 2.31, 3.07 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1358,1359,
&end
#
# 90 ILE QD1 90 ILE HN 4.50 (# 530:10 Unique 3.56, 4.27 A)
&rst
ixpk= 530, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1361,1362,1363,
&end
#
# 0 AMB 10-2:534 126 ILE HN 7.00 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1881,1882,1875,
&end
#
# 127 TYR HB+ 126 ILE HN 7.00 (# 535:10 Unique 4.31, 5.29 A)
&rst
ixpk= 535, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1925,1926,
&end
#
# 24 ILE HN 25 ALA HN 4.50 (# 536:10 Unique 2.62, 2.66 A)
&rst
ixpk= 536, nxpk= 10, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:537 25 ALA HN 4.50 (# 537:10 Single Ambig)
&rst
ixpk= 537, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 380, 395,
&end
#
# 21 PHE HD2 25 ALA HN 7.00 (# 538:10 Unique 4.25, 4.49 A)
&rst
ixpk= 538, nxpk= 10, iat= 314, 370, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 SER HN 25 ALA HN 7.00 (# 539:10 Unique 4.18, 4.20 A)
&rst
ixpk= 539, nxpk= 10, iat= 340, 370, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 PHE HA 25 ALA HN 5.50 (# 540:10 Unique 3.66, 3.73 A)
&rst
ixpk= 540, nxpk= 10, iat= 300, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:541 25 ALA HN 5.50 (# 541:10 Single Ambig)
&rst
ixpk= 541, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 344, 345, 382,2195, 397,
&end
#
# 22 LYS HA 25 ALA HN 5.50 (# 542:10 Unique 3.33, 3.43 A)
&rst
ixpk= 542, nxpk= 10, iat= 320, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:543 25 ALA HN 3.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 353,
&end
#
# 0 AMB 10-2:544 25 ALA HN 5.50 (# 544:10 Single Ambig)
&rst
ixpk= 544, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 384, 385, 426, 427,
&end
#
# 0 AMB 10-2:545 25 ALA HN 5.50 (# 545:10 Single Ambig)
&rst
ixpk= 545, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 361, 362, 322, 323,
&end
#
# 28 GLU HB- 25 ALA HN 7.00 (# 546:10 Unique 4.91, 5.69 A)
&rst
ixpk= 546, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 423, 424,
&end
#
# 24 ILE HB 25 ALA HN 4.50 (# 547:10 Unique 2.84, 2.93 A)
&rst
ixpk= 547, nxpk= 10, iat= 355, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:548 25 ALA HN 5.50 (# 548:10 Single Ambig)
&rst
ixpk= 548, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 445, 446,2197,2198,2199, 325, 326,
&end
#
# 0 AMB 10-2:549 25 ALA HN 7.00 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 445, 446, 514, 515, 516,
&end
#
# 24 ILE HG1+ 25 ALA HN 5.50 (# 550:10 Unique 4.57, 4.91 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 361, 362,
&end
#
# 25 ALA MB 25 ALA HN 3.50 (# 551:10 Unique 2.50, 2.90 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 374, 375, 376,
&end
#
# 0 AMB 10-2:552 25 ALA HN 3.50 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 357, 358, 359, 484, 485, 486, 364, 365, 366,
&end
#
# 128 LYS HN 126 ILE HN 5.50 (# 556:10 Unique 3.77, 3.89 A)
&rst
ixpk= 556, nxpk= 10, iat=1942,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:557 126 ILE HN 3.50 (# 557:10 Single Ambig)
&rst
ixpk= 557, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1921,1890,
&end
#
# 0 AMB 10-2:559 126 ILE HN 5.50 (# 559:10 Single Ambig)
&rst
ixpk= 559, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1892,1864,1865,
&end
#
# 126 ILE HA 126 ILE HN 3.50 (# 560:10 Unique 2.87, 2.89 A)
&rst
ixpk= 560, nxpk= 10, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ASP HB+ 126 ILE HN 5.50 (# 561:10 Unique 2.71, 3.48 A)
&rst
ixpk= 561, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1894,1895,
&end
#
# 125 ASP HB- 126 ILE HN 4.50 (# 562:10 Unique 2.71, 3.48 A)
&rst
ixpk= 562, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1894,1895,
&end
#
# 126 ILE HB 126 ILE HN 3.50 (# 563:10 Unique 2.58, 2.61 A)
&rst
ixpk= 563, nxpk= 10, iat=1906,1902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 ILE HG1- 126 ILE HN 4.50 (# 564:10 Unique 2.10, 2.91 A)
&rst
ixpk= 564, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1912,1913,
&end
#
# 123 SER HN 126 ILE HN 5.50 (# 565:10 Unique 3.37, 3.44 A)
&rst
ixpk= 565, nxpk= 10, iat=1860,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:566 126 ILE HN 5.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1873,1923,
&end
#
# 126 ILE HG1+ 126 ILE HN 3.50 (# 567:10 Unique 2.10, 2.91 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1912,1913,
&end
#
# 126 ILE QG2 126 ILE HN 4.50 (# 568:10 Unique 4.46, 4.57 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1908,1909,1910,
&end
#
# 126 ILE QD1 126 ILE HN 5.50 (# 569:10 Unique 3.13, 3.96 A)
&rst
ixpk= 569, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1915,1916,1917,
&end
#
# 67 SER HN 66 SER HN 7.00 (# 570:10 Unique 4.62, 4.63 A)
&rst
ixpk= 570, nxpk= 10, iat= 991, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 46 LYS HN 66 SER HN 7.00 (# 571:10 Unique 4.11, 4.43 A)
&rst
ixpk= 571, nxpk= 10, iat= 664, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:572 66 SER HN 5.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 657, 686,
&end
#
# 46 LYS HA 66 SER HN 5.50 (# 573:10 Unique 2.60, 2.80 A)
&rst
ixpk= 573, nxpk= 10, iat= 666, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HA 66 SER HN 4.50 (# 575:10 Unique 2.79, 2.82 A)
&rst
ixpk= 575, nxpk= 10, iat= 982, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HA 66 SER HN 3.50 (# 576:10 Unique 2.10, 2.14 A)
&rst
ixpk= 576, nxpk= 10, iat= 966, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 SER HB+ 66 SER HN 5.50 (# 578:10 Unique 2.30, 2.99 A)
&rst
ixpk= 578, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 985,
&end
#
# 66 SER HB- 66 SER HN 4.50 (# 579:10 Unique 2.30, 2.99 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 984, 985,
&end
#
# 0 AMB 10-2:580 66 SER HN 5.50 (# 580:10 Single Ambig)
&rst
ixpk= 580, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 668, 669, 968,
&end
#
# 65 VAL MG1 66 SER HN 4.50 (# 581:10 Unique 3.00, 3.78 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 970, 971, 972,
&end
#
# 65 VAL HN 66 SER HN 7.00 (# 582:10 Unique 3.98, 4.16 A)
&rst
ixpk= 582, nxpk= 10, iat= 964, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:583 66 SER HN 5.50 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 159, 160, 161, 612, 613, 614,
&end
#
# 65 VAL MG2 66 SER HN 5.50 (# 584:10 Unique 4.41, 5.12 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 974, 975, 976,
&end
#
# 148 ASP HA 149 ARG HN 4.50 (# 586:10 Unique 2.15, 2.50 A)
&rst
ixpk= 586, nxpk= 10, iat=2307,2317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 ARG HA 149 ARG HN 4.50 (# 589:10 Unique 2.18, 2.74 A)
&rst
ixpk= 589, nxpk= 10, iat=2319,2317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 LEU HA 149 ARG HN 7.00 (# 590:10 Unique 3.46, 4.90 A)
&rst
ixpk= 590, nxpk= 10, iat=2244,2317, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:591 149 ARG HN 7.00 (# 591:10 Single Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2263,2227,
&end
#
# 148 ASP HB+ 149 ARG HN 7.00 (# 592:10 Unique 1.99, 3.77 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2309,2310,
&end
#
# 148 ASP HB- 149 ARG HN 5.50 (# 593:10 Unique 1.99, 3.77 A)
&rst
ixpk= 593, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2309,2310,
&end
#
# 149 ARG HB+ 149 ARG HN 5.50 (# 594:10 Unique 2.27, 2.91 A)
&rst
ixpk= 594, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2321,2322,
&end
#
# 149 ARG HB- 149 ARG HN 5.50 (# 595:10 Unique 2.27, 2.91 A)
&rst
ixpk= 595, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2321,2322,
&end
#
# 149 ARG HG+ 149 ARG HN 5.50 (# 596:10 Unique 2.24, 4.17 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2324,2325,
&end
#
# 0 AMB 10-2:597 149 ARG HN 7.00 (# 597:10 Single Ambig)
&rst
ixpk= 597, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2327,2328,2351,2352,
&end
#
# 95 PHE HA 94 GLN HN 7.00 (# 598:10 Unique 5.15, 5.20 A)
&rst
ixpk= 598, nxpk= 10, iat=1426,1407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 PHE HN 94 GLN HN 3.50 (# 599:10 Unique 2.49, 2.52 A)
&rst
ixpk= 599, nxpk= 10, iat=1424,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 PHE QD 94 GLN HN 5.50 (# 600:10 Unique 5.39, 5.68 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1432,1440,
&end
#
# 95 PHE HD2 94 GLN HN 7.00 (# 601:10 Unique 5.39, 5.44 A)
&rst
ixpk= 601, nxpk= 10, iat=1440,1407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 93 SER HA 94 GLN HN 5.50 (# 603:10 Unique 3.55, 3.58 A)
&rst
ixpk= 603, nxpk= 10, iat=1398,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:604 94 GLN HN 3.50 (# 604:10 Single Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1400,1401,1409,
&end
#
# 0 AMB 10-2:605 94 GLN HN 5.50 (# 605:10 Single Ambig)
&rst
ixpk= 605, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1350,1388,
&end
#
# 91 ILE HA 94 GLN HN 5.50 (# 606:10 Unique 3.50, 3.52 A)
&rst
ixpk= 606, nxpk= 10, iat=1369,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HB- 94 GLN HN 7.00 (# 607:10 Unique 4.65, 5.37 A)
&rst
ixpk= 607, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1428,1429,
&end
#
# 94 GLN HG+ 94 GLN HN 4.50 (# 608:10 Unique 2.24, 2.67 A)
&rst
ixpk= 608, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1414,1415,
&end
#
# 94 GLN HG- 94 GLN HN 4.50 (# 609:10 Unique 2.24, 2.67 A)
&rst
ixpk= 609, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1414,1415,
&end
#
# 94 GLN HB- 94 GLN HN 3.50 (# 610:10 Unique 2.81, 3.27 A)
&rst
ixpk= 610, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1411,1412,
&end
#
# 92 ALA MB 94 GLN HN 5.50 (# 611:10 Unique 4.99, 5.60 A)
&rst
ixpk= 611, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1390,1391,1392,
&end
#
# 94 GLN HB+ 94 GLN HN 4.50 (# 612:10 Unique 2.81, 3.27 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1411,1412,
&end
#
# 90 ILE QG2 94 GLN HN 5.50 (# 613:10 Unique 4.25, 5.01 A)
&rst
ixpk= 613, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1354,1355,1356,
&end
#
# 128 LYS HB+ 126 ILE HN 7.00 (# 614:10 Unique 4.67, 5.81 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1946,1947,
&end
#
# 41 ALA HN 40 PHE HN 5.50 (# 615:10 Unique 2.25, 2.56 A)
&rst
ixpk= 615, nxpk= 10, iat= 608, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 PHE QD 40 PHE HN 5.50 (# 616:10 Unique 3.17, 4.13 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 596, 604,
&end
#
# 40 PHE HB- 40 PHE HN 5.50 (# 618:10 Unique 2.63, 3.25 A)
&rst
ixpk= 618, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 39 VAL MG2 40 PHE HN 5.50 (# 619:10 Unique 2.64, 4.41 A)
&rst
ixpk= 619, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 582, 583, 584,
&end
#
# 55 LEU HN 54 ALA HN 4.50 (# 620:10 Unique 2.73, 2.75 A)
&rst
ixpk= 620, nxpk= 10, iat= 792, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:621 54 ALA HN 7.00 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 751, 831,
&end
#
# 50 HIS HA 54 ALA HN 7.00 (# 623:10 Unique 3.59, 3.66 A)
&rst
ixpk= 623, nxpk= 10, iat= 726, 782, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 GLU HA 54 ALA HN 4.50 (# 624:10 Unique 3.55, 3.56 A)
&rst
ixpk= 624, nxpk= 10, iat= 769, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ALA HA 54 ALA HN 4.50 (# 625:10 Unique 2.81, 2.82 A)
&rst
ixpk= 625, nxpk= 10, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:626 54 ALA HN 5.50 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 774, 775, 755,
&end
#
# 53 GLU HB+ 54 ALA HN 4.50 (# 627:10 Unique 2.68, 3.38 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 771, 772,
&end
#
# 53 GLU HB- 54 ALA HN 4.50 (# 628:10 Unique 2.68, 3.38 A)
&rst
ixpk= 628, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 771, 772,
&end
#
# 0 AMB 10-2:629 54 ALA HN 5.50 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796, 797,1999,2000,
&end
#
# 0 AMB 10-2:630 54 ALA HN 7.00 (# 630:10 Single Ambig)
&rst
ixpk= 630, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 745, 746, 747,2002,2003, 850, 851,
&end
#
# 54 ALA MB 54 ALA HN 3.50 (# 631:10 Unique 2.47, 2.89 A)
&rst
ixpk= 631, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 786, 787, 788,
&end
#
# 124 ILE HG1- 54 ALA HN 5.50 (# 632:10 Unique 3.60, 5.29 A)
&rst
ixpk= 632, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1881,1882,
&end
#
# 0 AMB 10-2:633 54 ALA HN 7.00 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 757, 758, 759, 761, 762, 763,
&end
#
# 124 ILE QD1 54 ALA HN 4.50 (# 634:10 Unique 3.10, 3.44 A)
&rst
ixpk= 634, nxpk= 10, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1884,1885,1886,
&end
#
# 147 LYS HA 149 ARG HN 7.00 (# 636:10 Unique 5.98, 6.67 A)
&rst
ixpk= 636, nxpk= 10, iat=2285,2317, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 91 ILE QG2 94 GLN HN 5.50 (# 637:10 Unique 5.47, 5.98 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1373,1374,1375,
&end
#
# 124 ILE HN 125 ASP HN 5.50 (# 639:10 Unique 2.77, 2.80 A)
&rst
ixpk= 639, nxpk= 10, iat=1871,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HN 125 ASP HN 4.50 (# 640:10 Unique 2.72, 2.74 A)
&rst
ixpk= 640, nxpk= 10, iat=1902,1890, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 SER HA 125 ASP HN 5.50 (# 642:10 Unique 4.22, 4.30 A)
&rst
ixpk= 642, nxpk= 10, iat=1862,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:643 125 ASP HN 3.50 (# 643:10 Single Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1864,1865,1892,
&end
#
# 123 SER HB- 125 ASP HN 4.50 (# 644:10 Unique 2.67, 3.57 A)
&rst
ixpk= 644, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 124 ILE HA 125 ASP HN 5.50 (# 645:10 Unique 3.52, 3.53 A)
&rst
ixpk= 645, nxpk= 10, iat=1873,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASP HB+ 125 ASP HN 4.50 (# 646:10 Unique 2.43, 2.54 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1894,1895,
&end
#
# 125 ASP HB- 125 ASP HN 3.50 (# 647:10 Unique 2.43, 2.54 A)
&rst
ixpk= 647, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1894,1895,
&end
#
# 0 AMB 10-2:648 125 ASP HN 5.50 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1906, 728,
&end
#
# 126 ILE HG1+ 125 ASP HN 5.50 (# 650:10 Unique 4.09, 5.07 A)
&rst
ixpk= 650, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1912,1913,
&end
#
# 0 AMB 10-2:651 125 ASP HN 5.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1875,1881,1882,
&end
#
# 124 ILE HG1+ 125 ASP HN 7.00 (# 652:10 Unique 4.00, 4.69 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1881,1882,
&end
#
# 126 ILE QG2 125 ASP HN 7.00 (# 653:10 Unique 7.12, 7.26 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1908,1909,1910,
&end
#
# 124 ILE QG2 125 ASP HN 3.50 (# 654:10 Unique 2.57, 3.22 A)
&rst
ixpk= 654, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1877,1878,1879,
&end
#
# 0 AMB 10-2:655 91 ILE HN 5.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,1335,1336,
&end
#
# 90 ILE HN 91 ILE HN 5.50 (# 656:10 Unique 2.62, 2.64 A)
&rst
ixpk= 656, nxpk= 10, iat=1348,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HA 91 ILE HN 7.00 (# 657:10 Unique 3.82, 3.98 A)
&rst
ixpk= 657, nxpk= 10, iat=1294,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 91 ILE HB 91 ILE HN 3.50 (# 658:10 Unique 2.36, 2.41 A)
&rst
ixpk= 658, nxpk= 10, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:659 91 ILE HN 5.50 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1390,1391,1392,1313,1314,
&end
#
# 0 AMB 10-2:660 91 ILE HN 4.50 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 582, 583, 584, 97, 98, 99,
&end
#
# 89 GLN HN 91 ILE HN 7.00 (# 661:10 Unique 4.21, 4.23 A)
&rst
ixpk= 661, nxpk= 10, iat=1331,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:662 91 ILE HN 7.00 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1396,1309,
&end
#
# 90 ILE HA 91 ILE HN 5.50 (# 663:10 Unique 3.56, 3.57 A)
&rst
ixpk= 663, nxpk= 10, iat=1350,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:664 91 ILE HN 4.50 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1369,1311,
&end
#
# 0 AMB 10-2:665 91 ILE HN 3.50 (# 665:10 Single Ambig)
&rst
ixpk= 665, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1377,1378,1352,
&end
#
# 0 AMB 10-2:666 91 ILE HN 4.50 (# 666:10 Single Ambig)
&rst
ixpk= 666, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1373,1374,1375,1361,1362,1363,
&end
#
# 90 ILE QG2 91 ILE HN 4.50 (# 667:10 Unique 3.60, 4.39 A)
&rst
ixpk= 667, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1354,1355,1356,
&end
#
# 39 VAL MG1 91 ILE HN 5.50 (# 668:10 Unique 3.11, 4.78 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 578, 579, 580,
&end
#
# 91 ILE QD1 91 ILE HN 4.50 (# 669:10 Unique 3.42, 4.20 A)
&rst
ixpk= 669, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1380,1381,1382,
&end
#
# 0 AMB 10-2:670 91 ILE HN 7.00 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1333,1400,1401,
&end
#
# 91 ILE HG1+ 91 ILE HN 7.00 (# 677:10 Unique 2.16, 2.95 A)
&rst
ixpk= 677, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1377,1378,
&end
#
# 112 SER HB+ 113 HIS HN 3.00 (# 679:10 Unique 2.19, 3.57 A)
&rst
ixpk= 679, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1722,1723,
&end
#
# 112 SER HA 113 HIS HN 2.30 (# 680:10 Unique 2.21, 2.29 A)
&rst
ixpk= 680, nxpk= 10, iat=1720,1729, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 113 HIS HA 113 HIS HN 2.80 (# 681:10 Unique 2.82, 2.87 A)
&rst
ixpk= 681, nxpk= 10, iat=1731,1729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 HIS HB+ 113 HIS HN 3.70 (# 682:10 Unique 2.49, 3.08 A)
&rst
ixpk= 682, nxpk= 10, iat= -1,1729, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1733,1734,
&end
#
# 58 LYS HB+ 60 ILE HN 5.50 (# 685:10 Unique 3.54, 4.46 A)
&rst
ixpk= 685, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 61 ALA HN 60 ILE HN 5.50 (# 686:10 Unique 1.78, 1.86 A)
&rst
ixpk= 686, nxpk= 10, iat= 904, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS HN 60 ILE HN 5.50 (# 687:10 Unique 4.19, 4.30 A)
&rst
ixpk= 687, nxpk= 10, iat= 846, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:688 60 ILE HN 3.50 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 813, 887,
&end
#
# 59 HIS HA 60 ILE HN 3.50 (# 689:10 Unique 2.51, 2.56 A)
&rst
ixpk= 689, nxpk= 10, iat= 870, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:690 60 ILE HN 5.50 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 872, 873, 815, 816,
&end
#
# 59 HIS HB- 60 ILE HN 5.50 (# 691:10 Unique 4.43, 4.49 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 872, 873,
&end
#
# 55 LEU HB+ 60 ILE HN 5.50 (# 692:10 Unique 3.76, 4.49 A)
&rst
ixpk= 692, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 58 LYS HB- 60 ILE HN 5.50 (# 693:10 Unique 3.54, 4.46 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 60 ILE HB 60 ILE HN 3.50 (# 694:10 Unique 2.48, 2.60 A)
&rst
ixpk= 694, nxpk= 10, iat= 889, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ILE HG1+ 60 ILE HN 5.50 (# 695:10 Unique 2.86, 3.51 A)
&rst
ixpk= 695, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 895, 896,
&end
#
# 60 ILE QD1 60 ILE HN 4.50 (# 696:10 Unique 4.16, 4.91 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 898, 899, 900,
&end
#
# 60 ILE QG2 60 ILE HN 4.50 (# 697:10 Unique 4.27, 4.68 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 891, 892, 893,
&end
#
# 126 ILE HN 128 LYS HN 7.00 (# 698:10 Unique 3.77, 3.89 A)
&rst
ixpk= 698, nxpk= 10, iat=1902,1942, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 46 LYS HA 46 LYS HN 4.50 (# 700:10 Unique 2.87, 2.92 A)
&rst
ixpk= 700, nxpk= 10, iat= 666, 664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LYS HB+ 46 LYS HN 4.50 (# 704:10 Unique 2.66, 3.60 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 668, 669,
&end
#
# 0 AMB 10-2:705 46 LYS HN 3.50 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 668, 669, 674, 675,
&end
#
# 46 LYS HG+ 46 LYS HN 4.50 (# 706:10 Unique 2.08, 3.13 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 671, 672,
&end
#
# 11 THR MG2 46 LYS HN 5.50 (# 707:10 Unique 2.42, 3.94 A)
&rst
ixpk= 707, nxpk= 10, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 159, 160, 161,
&end
#
# 44 ASN HA 46 LYS HN 7.00 (# 708:10 Unique 4.17, 5.87 A)
&rst
ixpk= 708, nxpk= 10, iat= 645, 664, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 GLU HN 27 ARG HN 3.50 (# 710:10 Unique 2.57, 2.65 A)
&rst
ixpk= 710, nxpk= 10, iat= 419, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:711 27 ARG HN 5.50 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 342, 421,
&end
#
# 0 AMB 10-2:712 27 ARG HN 3.50 (# 712:10 Single Ambig)
&rst
ixpk= 712, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 397, 382,
&end
#
# 0 AMB 10-2:713 27 ARG HN 5.50 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 353, 372,
&end
#
# 26 GLU HB+ 27 ARG HN 3.50 (# 715:10 Unique 2.65, 3.34 A)
&rst
ixpk= 715, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 384, 385,
&end
#
# 27 ARG HB+ 27 ARG HN 3.50 (# 716:10 Unique 2.38, 3.10 A)
&rst
ixpk= 716, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 399, 400,
&end
#
# 27 ARG HG+ 27 ARG HN 3.50 (# 717:10 Unique 2.35, 3.29 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 402, 403,
&end
#
# 0 AMB 10-2:718 27 ARG HN 5.50 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 445, 446,2197,2198,2199,
&end
#
# 0 AMB 10-2:719 27 ARG HN 5.50 (# 719:10 Single Ambig)
&rst
ixpk= 719, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 357, 358, 359, 364, 365, 366,
&end
#
# 25 ALA MB 27 ARG HN 5.50 (# 720:10 Unique 5.13, 5.63 A)
&rst
ixpk= 720, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 374, 375, 376,
&end
#
# 72 GLU HN 73 LEU HN 4.50 (# 721:10 Unique 2.67, 2.69 A)
&rst
ixpk= 721, nxpk= 10, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 GLU HN 73 LEU HN 7.00 (# 722:10 Unique 3.98, 4.04 A)
&rst
ixpk= 722, nxpk= 10, iat=1115,1079, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 THR HN 73 LEU HN 5.50 (# 723:10 Unique 3.70, 3.73 A)
&rst
ixpk= 723, nxpk= 10, iat=1035,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HB 73 LEU HN 5.50 (# 726:10 Unique 4.23, 4.30 A)
&rst
ixpk= 726, nxpk= 10, iat=1039,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HA 73 LEU HN 5.50 (# 727:10 Unique 3.54, 3.55 A)
&rst
ixpk= 727, nxpk= 10, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU HA 73 LEU HN 4.50 (# 728:10 Unique 2.87, 2.88 A)
&rst
ixpk= 728, nxpk= 10, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 GLU HG+ 73 LEU HN 5.50 (# 729:10 Unique 2.47, 2.64 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1071,1072,
&end
#
# 0 AMB 10-2:730 73 LEU HN 4.50 (# 730:10 Single Ambig)
&rst
ixpk= 730, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1068,1069,1119,1120,
&end
#
# 72 GLU HB- 73 LEU HN 5.50 (# 731:10 Unique 3.84, 3.98 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1068,1069,
&end
#
# 73 LEU HB+ 73 LEU HN 3.50 (# 732:10 Unique 2.42, 2.53 A)
&rst
ixpk= 732, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1083,1084,
&end
#
# 70 THR MG2 73 LEU HN 5.50 (# 733:10 Unique 6.05, 6.33 A)
&rst
ixpk= 733, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 73 LEU HB- 73 LEU HN 4.50 (# 734:10 Unique 2.42, 2.53 A)
&rst
ixpk= 734, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1083,1084,
&end
#
# 73 LEU MD2 73 LEU HN 5.50 (# 735:10 Unique 4.79, 5.28 A)
&rst
ixpk= 735, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1092,1093,1094,
&end
#
# 73 LEU MD1 73 LEU HN 5.50 (# 736:10 Unique 4.68, 5.22 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 69 LEU MD1 73 LEU HN 5.50 (# 737:10 Unique 4.45, 5.35 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1025,1026,1027,
&end
#
# 0 AMB 10-2:738 128 LYS HN 4.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1921,1964,
&end
#
# 125 ASP HA 128 LYS HN 5.50 (# 739:10 Unique 3.22, 3.31 A)
&rst
ixpk= 739, nxpk= 10, iat=1892,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 LYS HA 128 LYS HN 3.50 (# 740:10 Unique 2.85, 2.87 A)
&rst
ixpk= 740, nxpk= 10, iat=1944,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 TYR HB+ 128 LYS HN 5.50 (# 741:10 Unique 2.87, 3.30 A)
&rst
ixpk= 741, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 127 TYR HB- 128 LYS HN 5.50 (# 743:10 Unique 2.87, 3.30 A)
&rst
ixpk= 743, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1925,1926,
&end
#
# 0 AMB 10-2:744 128 LYS HN 5.50 (# 744:10 Single Ambig)
&rst
ixpk= 744, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1968,1969, 238, 239, 240,
&end
#
# 128 LYS HB+ 128 LYS HN 3.50 (# 745:10 Unique 2.13, 2.71 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1946,1947,
&end
#
# 0 AMB 10-2:747 128 LYS HN 5.50 (# 747:10 Single Ambig)
&rst
ixpk= 747, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 786, 787, 788,1912,1913,
&end
#
# 130 THR MG2 128 LYS HN 7.00 (# 748:10 Unique 5.04, 7.07 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1987,1988,1989,
&end
#
# 0 AMB 10-2:749 128 LYS HN 5.50 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1881,1882,1875,
&end
#
# 18 GLU HN 17 ALA HN 4.50 (# 750:10 Unique 2.61, 2.69 A)
&rst
ixpk= 750, nxpk= 10, iat= 254, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 MET HN 17 ALA HN 4.50 (# 751:10 Unique 2.45, 2.52 A)
&rst
ixpk= 751, nxpk= 10, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HA 17 ALA HN 5.50 (# 752:10 Unique 2.83, 2.84 A)
&rst
ixpk= 752, nxpk= 10, iat= 246, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:753 17 ALA HN 4.50 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 231, 232, 185, 186,
&end
#
# 0 AMB 10-2:754 17 ALA HN 4.50 (# 754:10 Single Ambig)
&rst
ixpk= 754, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2055,2056,2057, 220, 221,
&end
#
# 17 ALA MB 17 ALA HN 3.50 (# 755:10 Unique 2.48, 2.90 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 248, 249, 250,
&end
#
# 29 GLY HN 30 LEU HN 3.50 (# 756:10 Unique 2.30, 2.38 A)
&rst
ixpk= 756, nxpk= 10, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:757 0 AMB 10-1:757 4.50 (# 757:10 Double Ambig)
&rst
ixpk= 757, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 443, 966,
igr2= 441, 664,
&end
#
# 0 AMB 10-2:758 30 LEU HN 5.50 (# 758:10 Single Ambig)
&rst
ixpk= 758, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 382, 397,
&end
#
# 29 GLY HA+ 30 LEU HN 3.50 (# 759:10 Unique 3.57, 7.61 A)
&rst
ixpk= 759, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 436, 437,
&end
#
# 29 GLY HA- 30 LEU HN 4.50 (# 760:10 Unique 3.57, 7.61 A)
&rst
ixpk= 760, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 436, 437,
&end
#
# 25 ALA HA 30 LEU HN 5.50 (# 761:10 Unique 2.93, 3.08 A)
&rst
ixpk= 761, nxpk= 10, iat= 372, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:762 30 LEU HN 3.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 445, 446, 448,
&end
#
# 30 LEU HB- 30 LEU HN 4.50 (# 763:10 Unique 2.14, 2.74 A)
&rst
ixpk= 763, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 445, 446,
&end
#
# 0 AMB 10-2:764 0 AMB 10-1:764 4.50 (# 764:10 Double Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 450, 451, 452, 974, 975, 976, 484, 485, 486,
igr2= 441, 664,
&end
#
# 32 VAL MG1 30 LEU HN 5.50 (# 765:10 Unique 5.71, 6.87 A)
&rst
ixpk= 765, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 480, 481, 482,
&end
#
# 46 LYS HN 47 ALA HN 5.50 (# 767:10 Unique 4.24, 4.36 A)
&rst
ixpk= 767, nxpk= 10, iat= 664, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:768 47 ALA HN 7.00 (# 768:10 Single Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 980, 933,
&end
#
# 48 THR HN 47 ALA HN 7.00 (# 769:10 Unique 4.63, 4.68 A)
&rst
ixpk= 769, nxpk= 10, iat= 696, 686, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 HIS HD2 47 ALA HN 4.50 (# 770:10 Unique 3.66, 4.27 A)
&rst
ixpk= 770, nxpk= 10, iat= 960, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LYS HA 47 ALA HN 3.50 (# 771:10 Unique 2.04, 2.29 A)
&rst
ixpk= 771, nxpk= 10, iat= 666, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:773 47 ALA HN 5.50 (# 773:10 Single Ambig)
&rst
ixpk= 773, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 966, 698,
&end
#
# 64 HIS HB+ 47 ALA HN 7.00 (# 774:10 Unique 3.17, 4.22 A)
&rst
ixpk= 774, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 951, 952,
&end
#
# 64 HIS HB- 47 ALA HN 5.50 (# 775:10 Unique 3.17, 4.22 A)
&rst
ixpk= 775, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 951, 952,
&end
#
# 46 LYS HB+ 47 ALA HN 4.50 (# 776:10 Unique 2.18, 3.20 A)
&rst
ixpk= 776, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 668, 669,
&end
#
# 46 LYS HB- 47 ALA HN 4.50 (# 777:10 Unique 2.18, 3.20 A)
&rst
ixpk= 777, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 668, 669,
&end
#
# 47 ALA MB 47 ALA HN 3.50 (# 778:10 Unique 2.26, 2.96 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 690, 691, 692,
&end
#
# 11 THR MG2 47 ALA HN 5.50 (# 779:10 Unique 2.72, 4.44 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 159, 160, 161,
&end
#
# 46 LYS HG+ 47 ALA HN 5.50 (# 780:10 Unique 2.97, 4.19 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 671, 672,
&end
#
# 133 GLU HN 135 GLU HN 7.00 (# 782:10 Unique 4.03, 4.07 A)
&rst
ixpk= 782, nxpk= 10, iat=2031,2065, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 134 LEU HA 135 GLU HN 5.50 (# 783:10 Unique 3.57, 3.59 A)
&rst
ixpk= 783, nxpk= 10, iat=2048,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HN 135 GLU HN 5.50 (# 784:10 Unique 2.71, 2.75 A)
&rst
ixpk= 784, nxpk= 10, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 GLU HN 135 GLU HN 5.50 (# 785:10 Unique 2.66, 2.70 A)
&rst
ixpk= 785, nxpk= 10, iat=2080,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 ASP HA 135 GLU HN 5.50 (# 786:10 Unique 3.51, 3.55 A)
&rst
ixpk= 786, nxpk= 10, iat=2021,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:787 135 GLU HN 5.50 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2033,2082,
&end
#
# 135 GLU HA 135 GLU HN 4.50 (# 788:10 Unique 2.82, 2.84 A)
&rst
ixpk= 788, nxpk= 10, iat=2067,2065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:789 135 GLU HN 3.50 (# 789:10 Single Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2069,2070,2050,2051,
&end
#
# 134 LEU HG 135 GLU HN 5.50 (# 790:10 Unique 4.04, 4.15 A)
&rst
ixpk= 790, nxpk= 10, iat=2053,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HB- 135 GLU HN 4.50 (# 791:10 Unique 2.57, 3.25 A)
&rst
ixpk= 791, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2051,
&end
#
# 20 LEU QD1 135 GLU HN 3.50 (# 792:10 Unique 3.04, 3.57 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 288, 289, 290,
&end
#
# 0 AMB 10-2:793 135 GLU HN 7.00 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 283, 284,1987,1988,1989,
&end
#
# 15 PRO HB+ 37 ALA HN 7.00 (# 797:10 Unique 6.46, 7.57 A)
&rst
ixpk= 797, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 220, 221,
&end
#
# 0 AMB 10-2:798 0 AMB 10-1:798 5.50 (# 798:10 Double Ambig)
&rst
ixpk= 798, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1981, 71,
igr2=1942, 555,
&end
#
# 7 CYS HN 37 ALA HN 5.50 (# 799:10 Unique 3.89, 4.41 A)
&rst
ixpk= 799, nxpk= 10, iat= 107, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER HA 37 ALA HN 3.50 (# 800:10 Unique 2.16, 2.24 A)
&rst
ixpk= 800, nxpk= 10, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 VAL HA 37 ALA HN 5.50 (# 801:10 Unique 2.58, 2.95 A)
&rst
ixpk= 801, nxpk= 10, iat= 93, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HA 37 ALA HN 4.50 (# 802:10 Unique 2.91, 2.93 A)
&rst
ixpk= 802, nxpk= 10, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 SER HB+ 37 ALA HN 4.50 (# 803:10 Unique 2.66, 3.52 A)
&rst
ixpk= 803, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 548, 549,
&end
#
# 36 SER HB- 37 ALA HN 4.50 (# 804:10 Unique 2.66, 3.52 A)
&rst
ixpk= 804, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 548, 549,
&end
#
# 5 PHE HB+ 37 ALA HN 5.50 (# 805:10 Unique 4.09, 4.70 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 37 ALA MB 37 ALA HN 4.50 (# 806:10 Unique 2.75, 3.39 A)
&rst
ixpk= 806, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 559, 560, 561,
&end
#
# 0 AMB 10-2:807 37 ALA HN 5.50 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 97, 98, 99,1188,1189,1190,
&end
#
# 4 ILE QG2 37 ALA HN 5.50 (# 808:10 Unique 2.88, 3.70 A)
&rst
ixpk= 808, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 58, 59, 60,
&end
#
# 0 AMB 10-2:809 92 ALA HN 5.50 (# 809:10 Single Ambig)
&rst
ixpk= 809, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,1335,1336,
&end
#
# 93 SER HN 92 ALA HN 4.50 (# 810:10 Unique 2.66, 2.71 A)
&rst
ixpk= 810, nxpk= 10, iat=1396,1386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 SER HA 92 ALA HN 7.00 (# 811:10 Unique 5.29, 5.32 A)
&rst
ixpk= 811, nxpk= 10, iat=1398,1386, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:812 92 ALA HN 5.50 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1311,
&end
#
# 0 AMB 10-2:813 92 ALA HN 5.50 (# 813:10 Single Ambig)
&rst
ixpk= 813, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1500,1501,1558,
&end
#
# 0 AMB 10-2:814 0 AMB 10-1:814 3.50 (# 814:10 Double Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1371,1999,2000,
igr2=1386,2019,
&end
#
# 92 ALA MB 92 ALA HN 3.50 (# 815:10 Unique 2.34, 2.87 A)
&rst
ixpk= 815, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1390,1391,1392,
&end
#
# 0 AMB 10-2:816 0 AMB 10-1:816 7.00 (# 816:10 Double Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1=1377,1378,1987,1988,1989,1358,1359,
igr2=1386,2019,
&end
#
# 0 AMB 10-2:817 0 AMB 10-1:817 4.50 (# 817:10 Double Ambig)
&rst
ixpk= 817, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1373,1374,1375,2050,2051,
igr2=1386,2019,
&end
#
# 102 VAL MG2 92 ALA HN 4.50 (# 818:10 Unique 3.98, 5.34 A)
&rst
ixpk= 818, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1564,1565,1566,
&end
#
# 5 PHE HA 6 VAL HN 3.50 (# 819:10 Unique 2.26, 2.28 A)
&rst
ixpk= 819, nxpk= 10, iat= 73, 91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ALA HA 6 VAL HN 5.50 (# 820:10 Unique 2.85, 3.02 A)
&rst
ixpk= 820, nxpk= 10, iat=1219, 91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:821 132 ASP HN 5.50 (# 821:10 Single Ambig)
&rst
ixpk= 821, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1968,1969, 238, 239, 240,
&end
#
# 0 AMB 10-2:822 6 VAL HN 5.50 (# 822:10 Single Ambig)
&rst
ixpk= 822, nxpk= 10, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1238,1239,1240,1234,1235,
&end
#
# 131 ARG HB- 132 ASP HN 4.50 (# 823:10 Unique 2.88, 4.05 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1999,2000,
&end
#
# 6 VAL HB 6 VAL HN 4.50 (# 824:10 Unique 3.34, 3.45 A)
&rst
ixpk= 824, nxpk= 10, iat= 95, 91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 VAL MG1 6 VAL HN 4.50 (# 825:10 Unique 2.41, 3.19 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 97, 98, 99,
&end
#
# 130 THR HA 132 ASP HN 5.50 (# 826:10 Unique 4.07, 4.29 A)
&rst
ixpk= 826, nxpk= 10, iat=1983,2019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 VAL MG2 6 VAL HN 5.50 (# 827:10 Unique 4.16, 4.74 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 101, 102, 103,
&end
#
# 0 AMB 10-2:828 132 ASP HN 5.50 (# 828:10 Single Ambig)
&rst
ixpk= 828, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 288, 289, 290,1790,1791,1792,
&end
#
# 141 LEU HN 144 GLN HN 7.00 (# 829:10 Unique 4.60, 4.71 A)
&rst
ixpk= 829, nxpk= 10, iat=2174,2225, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 143 LYS HN 144 GLN HN 3.50 (# 830:10 Unique 2.61, 2.72 A)
&rst
ixpk= 830, nxpk= 10, iat=2203,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 LEU HA 144 GLN HN 5.50 (# 831:10 Unique 3.25, 3.44 A)
&rst
ixpk= 831, nxpk= 10, iat=2176,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLN HA 144 GLN HN 3.50 (# 832:10 Unique 2.82, 2.84 A)
&rst
ixpk= 832, nxpk= 10, iat=2227,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:833 0 AMB 10-1:833 3.50 (# 833:10 Double Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2232,2233, 231, 232,
igr2=2225, 244,
&end
#
# 0 AMB 10-2:834 144 GLN HN 3.50 (# 834:10 Single Ambig)
&rst
ixpk= 834, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2232,2233,2229,2230,
&end
#
# 144 GLN HB- 144 GLN HN 3.50 (# 835:10 Unique 2.42, 3.08 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2229,2230,
&end
#
# 0 AMB 10-2:836 0 AMB 10-1:836 4.50 (# 836:10 Double Ambig)
&rst
ixpk= 836, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2183,2184,2185,2251,2252,2253, 450, 451, 452, 801,
802, 803,2123,2124,2125,
igr2=2225, 244,
&end
#
# 0 AMB 10-2:837 0 AMB 10-1:837 3.50 (# 837:10 Double Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1066,2205,
igr2=1115,2225,
&end
#
# 0 AMB 10-2:838 144 GLN HN 4.50 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2210,2211,2268,2269,
&end
#
# 0 AMB 10-2:839 0 AMB 10-1:839 3.50 (# 839:10 Double Ambig)
&rst
ixpk= 839, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1105,1106,2210,2211,
igr2=1115,2225,
&end
#
# 0 AMB 10-2:840 30 LEU HN 5.50 (# 840:10 Single Ambig)
&rst
ixpk= 840, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 423, 424, 426, 427,
&end
#
# 147 LYS HN 148 ASP HN 5.50 (# 841:10 Unique 1.99, 2.62 A)
&rst
ixpk= 841, nxpk= 10, iat=2283,2305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 ASP HA 148 ASP HN 4.50 (# 843:10 Unique 2.81, 2.93 A)
&rst
ixpk= 843, nxpk= 10, iat=2307,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 ARG HA 148 ASP HN 7.00 (# 844:10 Unique 4.05, 5.06 A)
&rst
ixpk= 844, nxpk= 10, iat=2319,2305, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 147 LYS HA 148 ASP HN 4.50 (# 845:10 Unique 3.21, 3.57 A)
&rst
ixpk= 845, nxpk= 10, iat=2285,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 ASP HB+ 148 ASP HN 5.50 (# 846:10 Unique 2.36, 3.05 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2309,2310,
&end
#
# 148 ASP HB- 148 ASP HN 4.50 (# 847:10 Unique 2.36, 3.05 A)
&rst
ixpk= 847, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2309,2310,
&end
#
# 0 AMB 10-2:848 148 ASP HN 4.50 (# 848:10 Single Ambig)
&rst
ixpk= 848, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2287,2288,2345,2346,
&end
#
# 0 AMB 10-2:849 148 ASP HN 7.00 (# 849:10 Single Ambig)
&rst
ixpk= 849, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2293,2294,2324,2325,
&end
#
# 145 LEU HB- 148 ASP HN 5.50 (# 850:10 Unique 4.85, 5.41 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2246,2247,
&end
#
# 0 AMB 10-2:851 148 ASP HN 5.50 (# 851:10 Single Ambig)
&rst
ixpk= 851, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2263,2227,
&end
#
# 0 AMB 10-2:852 148 ASP HN 5.50 (# 852:10 Single Ambig)
&rst
ixpk= 852, nxpk= 10, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2255,2256,2257, 450, 451, 452,
&end
#
# 130 THR HN 129 GLN HN 4.50 (# 854:10 Unique 2.57, 2.66 A)
&rst
ixpk= 854, nxpk= 10, iat=1981,1964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ASP HB- 129 GLN HN 7.00 (# 855:10 Unique 5.51, 5.90 A)
&rst
ixpk= 855, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1894,1895,
&end
#
# 128 LYS HB+ 129 GLN HN 4.50 (# 856:10 Unique 2.85, 3.81 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1946,1947,
&end
#
# 128 LYS HN 129 GLN HN 4.50 (# 857:10 Unique 2.64, 2.71 A)
&rst
ixpk= 857, nxpk= 10, iat=1942,1964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 GLN HA 129 GLN HN 3.50 (# 859:10 Unique 2.85, 2.86 A)
&rst
ixpk= 859, nxpk= 10, iat=1966,1964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 GLN HB- 129 GLN HN 3.50 (# 860:10 Unique 2.37, 3.04 A)
&rst
ixpk= 860, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1968,1969,
&end
#
# 130 THR MG2 129 GLN HN 7.00 (# 863:10 Unique 5.01, 6.76 A)
&rst
ixpk= 863, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1987,1988,1989,
&end
#
# 0 AMB 10-2:865 0 AMB 10-1:865 3.50 (# 865:10 Double Ambig)
&rst
ixpk= 865, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2305, 254,
igr2=2283, 269,
&end
#
# 21 PHE HN 19 ALA HN 7.00 (# 866:10 Unique 4.06, 4.10 A)
&rst
ixpk= 866, nxpk= 10, iat= 298, 269, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 LEU HN 19 ALA HN 5.50 (# 867:10 Unique 2.58, 2.63 A)
&rst
ixpk= 867, nxpk= 10, iat= 279, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:868 19 ALA HN 7.00 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 227, 79, 87,
&end
#
# 16 MET HA 19 ALA HN 5.50 (# 869:10 Unique 3.43, 3.51 A)
&rst
ixpk= 869, nxpk= 10, iat= 229, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HA 19 ALA HN 5.50 (# 870:10 Unique 3.57, 3.58 A)
&rst
ixpk= 870, nxpk= 10, iat= 256, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HG- 19 ALA HN 4.50 (# 871:10 Unique 2.89, 3.82 A)
&rst
ixpk= 871, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 19 ALA MB 19 ALA HN 3.50 (# 872:10 Unique 2.45, 2.86 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 273, 274, 275,
&end
#
# 0 AMB 10-2:873 19 ALA HN 5.50 (# 873:10 Single Ambig)
&rst
ixpk= 873, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 927, 928, 929,2127,2128,2129,
&end
#
# 0 AMB 10-2:875 0 AMB 10-1:875 5.50 (# 875:10 Double Ambig)
&rst
ixpk= 875, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1333,1400,1401,1985,
igr2=1386,2019,
&end
#
# 92 ALA HA 92 ALA HN 3.50 (# 876:10 Unique 2.82, 2.83 A)
&rst
ixpk= 876, nxpk= 10, iat=1388,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 PHE QD 6 VAL HN 5.50 (# 877:10 Unique 4.00, 5.11 A)
&rst
ixpk= 877, nxpk= 10, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 87,
&end
#
# 0 AMB 10-2:878 6 VAL HN 5.50 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 58, 59, 60, 248, 249, 250,
&end
#
# 0 AMB 10-2:879 130 THR HN 7.00 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1785,1786,2002,2003,1949,1950,
&end
#
# 76 SER HN 75 GLU HN 3.50 (# 880:10 Unique 2.54, 2.61 A)
&rst
ixpk= 880, nxpk= 10, iat=1130,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ALA HN 75 GLU HN 5.50 (# 881:10 Unique 4.00, 4.12 A)
&rst
ixpk= 881, nxpk= 10, iat=1141,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:883 75 GLU HN 5.50 (# 883:10 Single Ambig)
&rst
ixpk= 883, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1100,1134,1135,
&end
#
# 75 GLU HB+ 75 GLU HN 3.50 (# 884:10 Unique 2.28, 2.95 A)
&rst
ixpk= 884, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1119,1120,
&end
#
# 75 GLU HB- 75 GLU HN 3.50 (# 885:10 Unique 2.28, 2.95 A)
&rst
ixpk= 885, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1119,1120,
&end
#
# 74 MET HB- 75 GLU HN 3.50 (# 886:10 Unique 2.93, 3.74 A)
&rst
ixpk= 886, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1102,1103,
&end
#
# 74 MET HB+ 75 GLU HN 4.50 (# 887:10 Unique 2.93, 3.74 A)
&rst
ixpk= 887, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1102,1103,
&end
#
# 125 ASP HA 129 GLN HN 5.50 (# 889:10 Unique 3.94, 4.06 A)
&rst
ixpk= 889, nxpk= 10, iat=1892,1964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 LYS HA 129 GLN HN 5.50 (# 890:10 Unique 3.53, 3.56 A)
&rst
ixpk= 890, nxpk= 10, iat=1944,1964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 GLN HG+ 129 GLN HN 4.50 (# 891:10 Unique 2.43, 3.14 A)
&rst
ixpk= 891, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1971,1972,
&end
#
# 129 GLN HG- 129 GLN HN 5.50 (# 892:10 Unique 2.43, 3.14 A)
&rst
ixpk= 892, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1971,1972,
&end
#
# 129 GLN HB+ 129 GLN HN 3.50 (# 893:10 Unique 2.37, 3.04 A)
&rst
ixpk= 893, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1968,1969,
&end
#
# 0 AMB 10-2:894 129 GLN HN 7.00 (# 894:10 Single Ambig)
&rst
ixpk= 894, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1819,1820,1912,1913,1785,1786, 786, 787, 788,
&end
#
# 0 AMB 10-2:895 129 GLN HN 7.00 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1794,1795,1796,1884,1885,1886,
&end
#
# 0 AMB 10-2:896 129 GLN HN 5.50 (# 896:10 Single Ambig)
&rst
ixpk= 896, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,2019,
&end
#
# 127 TYR HA 129 GLN HN 7.00 (# 897:10 Unique 4.16, 4.38 A)
&rst
ixpk= 897, nxpk= 10, iat=1923,1964, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 LEU MD1 129 GLN HN 7.00 (# 898:10 Unique 4.36, 5.82 A)
&rst
ixpk= 898, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1790,1791,1792,
&end
#
# 0 AMB 10-2:899 0 AMB 10-1:899 5.50 (# 899:10 Double Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2242, 244,2225,
igr2=2283, 269,
&end
#
# 148 ASP HA 147 LYS HN 7.00 (# 901:10 Unique 4.56, 5.15 A)
&rst
ixpk= 901, nxpk= 10, iat=2307,2283, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 147 LYS HA 147 LYS HN 3.50 (# 902:10 Unique 2.79, 2.88 A)
&rst
ixpk= 902, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:903 147 LYS HN 3.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2263,2227,
&end
#
# 0 AMB 10-2:904 147 LYS HN 3.50 (# 904:10 Single Ambig)
&rst
ixpk= 904, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2287,2288,2265,2266,
&end
#
# 0 AMB 10-2:905 147 LYS HN 5.50 (# 905:10 Single Ambig)
&rst
ixpk= 905, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2293,2294,2213,2214,
&end
#
# 0 AMB 10-2:906 147 LYS HN 5.50 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2348,2349,2210,2211,2268,2269,
&end
#
# 147 LYS HG+ 147 LYS HN 4.50 (# 907:10 Unique 2.48, 4.23 A)
&rst
ixpk= 907, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2290,2291,
&end
#
# 0 AMB 10-2:908 0 AMB 10-1:908 4.50 (# 908:10 Double Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 801, 802, 803,2255,2256,2257, 450, 451, 452, 234,
235,
igr2= 269,2283,
&end
#
# 139 ARG HN 138 LEU HN 4.50 (# 910:10 Unique 2.54, 2.62 A)
&rst
ixpk= 910, nxpk= 10, iat=2133,2114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 GLN HN 138 LEU HN 5.50 (# 911:10 Unique 4.09, 4.17 A)
&rst
ixpk= 911, nxpk= 10, iat=2157,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 LEU HA 138 LEU HN 5.50 (# 912:10 Unique 2.86, 2.87 A)
&rst
ixpk= 912, nxpk= 10, iat=2116,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:913 138 LEU HN 4.50 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2102,2140,2141,2087,2088,
&end
#
# 138 LEU HB- 138 LEU HN 5.50 (# 914:10 Unique 2.24, 2.90 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2118,2119,
&end
#
# 137 LEU HB- 138 LEU HN 5.50 (# 915:10 Unique 2.47, 3.18 A)
&rst
ixpk= 915, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2100,
&end
#
# 0 AMB 10-2:916 138 LEU HN 5.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2127,2128,2129,2108,2109,2110,
&end
#
# 137 LEU HN 138 LEU HN 5.50 (# 917:10 Unique 2.63, 2.66 A)
&rst
ixpk= 917, nxpk= 10, iat=2095,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:918 138 LEU HN 5.50 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2097,2082,2135,
&end
#
# 134 LEU HA 138 LEU HN 7.00 (# 919:10 Unique 3.85, 3.89 A)
&rst
ixpk= 919, nxpk= 10, iat=2048,2114, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 135 GLU HA 138 LEU HN 5.50 (# 920:10 Unique 3.29, 3.45 A)
&rst
ixpk= 920, nxpk= 10, iat=2067,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:921 138 LEU HN 4.50 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2072,2073,2069,2070,2050,2051,
&end
#
# 0 AMB 10-2:922 138 LEU HN 4.50 (# 922:10 Single Ambig)
&rst
ixpk= 922, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 288, 289, 290,1611,
&end
#
# 123 SER HN 124 ILE HN 7.00 (# 923:10 Unique 4.53, 4.55 A)
&rst
ixpk= 923, nxpk= 10, iat=1860,1871, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 125 ASP HN 124 ILE HN 4.50 (# 924:10 Unique 2.77, 2.80 A)
&rst
ixpk= 924, nxpk= 10, iat=1890,1871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 SER HA 124 ILE HN 3.50 (# 926:10 Unique 2.48, 2.50 A)
&rst
ixpk= 926, nxpk= 10, iat=1862,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 SER HB+ 124 ILE HN 4.50 (# 928:10 Unique 2.38, 3.08 A)
&rst
ixpk= 928, nxpk= 10, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 123 SER HB- 124 ILE HN 4.50 (# 929:10 Unique 2.38, 3.08 A)
&rst
ixpk= 929, nxpk= 10, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 124 ILE HB 124 ILE HN 3.50 (# 930:10 Unique 2.21, 2.45 A)
&rst
ixpk= 930, nxpk= 10, iat=1875,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ILE QG2 124 ILE HN 3.50 (# 931:10 Unique 2.02, 3.01 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1877,1878,1879,
&end
#
# 0 AMB 10-2:932 130 THR HN 5.50 (# 932:10 Single Ambig)
&rst
ixpk= 932, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1944,1997,
&end
#
# 0 AMB 10-2:933 130 THR HN 5.50 (# 933:10 Single Ambig)
&rst
ixpk= 933, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1971,1972,2035,2036,
&end
#
# 129 GLN HB- 130 THR HN 4.50 (# 934:10 Unique 2.62, 3.13 A)
&rst
ixpk= 934, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1968,1969,
&end
#
# 0 AMB 10-2:935 0 AMB 10-1:935 4.50 (# 935:10 Double Ambig)
&rst
ixpk= 935, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1819,1820,1785,1786,1105,1106,
igr2=1981,1424,
&end
#
# 126 ILE QG2 130 THR HN 5.50 (# 936:10 Unique 4.26, 5.20 A)
&rst
ixpk= 936, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1908,1909,1910,
&end
#
# 129 GLN HA 130 THR HN 4.50 (# 937:10 Unique 3.54, 3.56 A)
&rst
ixpk= 937, nxpk= 10, iat=1966,1981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 THR HB 130 THR HN 3.50 (# 938:10 Unique 2.24, 2.35 A)
&rst
ixpk= 938, nxpk= 10, iat=1985,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 THR HA 130 THR HN 3.50 (# 939:10 Unique 2.82, 2.83 A)
&rst
ixpk= 939, nxpk= 10, iat=1983,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:940 130 THR HN 5.50 (# 940:10 Single Ambig)
&rst
ixpk= 940, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1971,1972,1999,2000,1925,1926,
&end
#
# 129 GLN HB+ 130 THR HN 3.50 (# 941:10 Unique 2.62, 3.13 A)
&rst
ixpk= 941, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1968,1969,
&end
#
# 130 THR MG2 130 THR HN 4.50 (# 942:10 Unique 2.84, 4.32 A)
&rst
ixpk= 942, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1987,1988,1989,
&end
#
# 117 LEU MD1 130 THR HN 4.50 (# 943:10 Unique 2.90, 4.78 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1790,1791,1792,
&end
#
# 0 AMB 10-2:944 75 GLU HN 4.50 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1098,1079,
&end
#
# 71 GLU HA 75 GLU HN 5.50 (# 946:10 Unique 3.93, 3.97 A)
&rst
ixpk= 946, nxpk= 10, iat=1051,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLU HA 75 GLU HN 4.50 (# 947:10 Unique 2.87, 2.89 A)
&rst
ixpk= 947, nxpk= 10, iat=1117,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 MET HG+ 75 GLU HN 5.50 (# 948:10 Unique 2.49, 3.45 A)
&rst
ixpk= 948, nxpk= 10, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1105,1106,
&end
#
# 0 AMB 10-2:950 147 LYS HN 7.00 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2229,2230,2232,2233,
&end
#
# 0 AMB 10-2:952 138 LEU HN 7.00 (# 952:10 Single Ambig)
&rst
ixpk= 952, nxpk= 10, iat= -1,2114, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
igr1=1687,1688,1689,1613,1614,1615,1771,1772,1773, 361,
362,
&end
#
# 124 ILE HA 124 ILE HN 4.50 (# 954:10 Unique 2.79, 2.80 A)
&rst
ixpk= 954, nxpk= 10, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ILE HG1+ 124 ILE HN 5.50 (# 955:10 Unique 4.17, 4.54 A)
&rst
ixpk= 955, nxpk= 10, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1881,1882,
&end
#
# 95 PHE QD 95 PHE HN 3.50 (# 957:10 Unique 3.54, 3.85 A)
&rst
ixpk= 957, nxpk= 10, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1432,1440,
&end
#
# 95 PHE HD2 95 PHE HN 5.50 (# 958:10 Unique 3.54, 3.59 A)
&rst
ixpk= 958, nxpk= 10, iat=1440,1424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HB+ 95 PHE HN 4.50 (# 959:10 Unique 2.34, 2.97 A)
&rst
ixpk= 959, nxpk= 10, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1428,1429,
&end
#
# 94 GLN HG- 95 PHE HN 5.50 (# 960:10 Unique 2.38, 2.81 A)
&rst
ixpk= 960, nxpk= 10, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1414,1415,
&end
#
# 0 AMB 10-2:961 0 AMB 10-1:961 3.50 (# 961:10 Double Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1411,1412,1952,1953,
igr2=1424,1981,
&end
#
# 0 AMB 10-2:962 0 AMB 10-1:962 5.50 (# 962:10 Double Ambig)
&rst
ixpk= 962, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1109,1110,1111,1912,1913,
igr2=1424,1981,
&end
#
# 0 AMB 10-2:963 0 AMB 10-1:963 5.50 (# 963:10 Double Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1788,1390,1391,1392,
igr2=1981,1424,
&end
#
# 0 AMB 10-2:964 0 AMB 10-1:964 4.50 (# 964:10 Double Ambig)
&rst
ixpk= 964, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1411,1412,1816,1817,
igr2=1424,1981,
&end
#
# 0 AMB 10-2:965 0 AMB 10-1:965 5.50 (# 965:10 Double Ambig)
&rst
ixpk= 965, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1373,1374,1375,2050,2051,
igr2=1424,1981,
&end
#
# 94 GLN HN 95 PHE HN 3.50 (# 967:10 Unique 2.49, 2.52 A)
&rst
ixpk= 967, nxpk= 10, iat=1407,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 SER HN 95 PHE HN 5.50 (# 968:10 Unique 4.14, 4.21 A)
&rst
ixpk= 968, nxpk= 10, iat=1396,1424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HA 95 PHE HN 4.50 (# 969:10 Unique 2.93, 2.94 A)
&rst
ixpk= 969, nxpk= 10, iat=1426,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 SER HA 95 PHE HN 5.50 (# 970:10 Unique 4.45, 4.57 A)
&rst
ixpk= 970, nxpk= 10, iat=1398,1424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:971 0 AMB 10-1:971 5.50 (# 971:10 Double Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1369,1814,
igr2=1424,1981,
&end
#
# 95 PHE HB- 95 PHE HN 4.50 (# 972:10 Unique 2.34, 2.97 A)
&rst
ixpk= 972, nxpk= 10, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1428,1429,
&end
#
# 0 AMB 10-2:973 95 PHE HN 7.00 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1434,1438,1483,1492,
&end
#
# 97 ARG HB+ 97 ARG HN 7.00 (# 976:10 Unique 2.84, 3.32 A)
&rst
ixpk= 976, nxpk= 10, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1455,1456,
&end
#
# 97 ARG HB- 97 ARG HN 7.00 (# 977:10 Unique 2.84, 3.32 A)
&rst
ixpk= 977, nxpk= 10, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1455,1456,
&end
#
# 97 ARG HB+ 97 ARG HN 7.00 (# 979:10 Unique 2.84, 3.32 A)
&rst
ixpk= 979, nxpk= 10, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1455,1456,
&end
#
# 138 LEU HN 137 LEU HN 5.50 (# 981:10 Unique 2.63, 2.66 A)
&rst
ixpk= 981, nxpk= 10, iat=2114,2095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:982 0 AMB 10-1:982 5.50 (# 982:10 Double Ambig)
&rst
ixpk= 982, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2087,2088,2038,2039, 426, 427,2229,2230,
igr2=2095,2261,
&end
#
# 136 GLU HB+ 137 LEU HN 3.50 (# 983:10 Unique 2.61, 3.28 A)
&rst
ixpk= 983, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2084,2085,
&end
#
# 137 LEU HB- 137 LEU HN 4.50 (# 984:10 Unique 2.41, 2.54 A)
&rst
ixpk= 984, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2099,2100,
&end
#
# 109 VAL MG1 137 LEU HN 5.50 (# 985:10 Unique 5.69, 7.04 A)
&rst
ixpk= 985, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1687,1688,1689,
&end
#
# 0 AMB 10-2:986 137 LEU HN 5.50 (# 986:10 Single Ambig)
&rst
ixpk= 986, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 288, 289, 290,1611,
&end
#
# 134 LEU HA 137 LEU HN 7.00 (# 987:10 Unique 3.34, 3.45 A)
&rst
ixpk= 987, nxpk= 10, iat=2048,2095, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 145 LEU HN 146 LYS HN 3.50 (# 991:10 Unique 2.77, 2.83 A)
&rst
ixpk= 991, nxpk= 10, iat=2242,2261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:992 146 LYS HN 7.00 (# 992:10 Single Ambig)
&rst
ixpk= 992, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2305,2317,
&end
#
# 143 LYS HN 146 LYS HN 7.00 (# 993:10 Unique 4.66, 4.81 A)
&rst
ixpk= 993, nxpk= 10, iat=2203,2261, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 145 LEU HA 146 LYS HN 4.50 (# 994:10 Unique 3.53, 3.59 A)
&rst
ixpk= 994, nxpk= 10, iat=2244,2261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:995 146 LYS HN 3.50 (# 995:10 Single Ambig)
&rst
ixpk= 995, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2263,2195,
&end
#
# 143 LYS HA 146 LYS HN 4.50 (# 996:10 Unique 3.25, 3.45 A)
&rst
ixpk= 996, nxpk= 10, iat=2205,2261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 LYS HE+ 146 LYS HN 7.00 (# 997:10 Unique 3.85, 5.17 A)
&rst
ixpk= 997, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2274,2275,
&end
#
# 0 AMB 10-2:998 0 AMB 10-1:998 7.00 (# 998:10 Double Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2164,2165,2232,2233,
igr2=2095,2261,
&end
#
# 146 LYS HB+ 146 LYS HN 3.50 (# 999:10 Unique 2.15, 2.87 A)
&rst
ixpk= 999, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2265,2266,
&end
#
# 146 LYS HB- 146 LYS HN 3.50 (# 1000:10 Unique 2.15, 2.87 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2265,2266,
&end
#
# 146 LYS HG+ 146 LYS HN 3.50 (# 1001:10 Unique 2.66, 3.44 A)
&rst
ixpk= 1001, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2268,2269,
&end
#
# 0 AMB 10-2:1002 146 LYS HN 3.50 (# 1002:10 Single Ambig)
&rst
ixpk= 1002, nxpk= 10, iat= -1,2261, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2246,2247,2268,2269,
&end
#
# 0 AMB 10-2:1003 0 AMB 10-1:1003 3.50 (# 1003:10 Double Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 450, 451, 452,2104,2105,2106,
igr2=2261,2095,
&end
#
# 140 GLN HG- 140 GLN HN 4.50 (# 1004:10 Unique 2.46, 3.12 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2164,2165,
&end
#
# 140 GLN HB- 140 GLN HN 3.50 (# 1005:10 Unique 2.40, 3.05 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2161,2162,
&end
#
# 0 AMB 10-2:1006 140 GLN HN 3.50 (# 1006:10 Single Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2137,2138,2087,2088,
&end
#
# 139 ARG HB- 140 GLN HN 5.50 (# 1007:10 Unique 2.61, 3.22 A)
&rst
ixpk= 1007, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2137,2138,
&end
#
# 0 AMB 10-2:1008 140 GLN HN 5.50 (# 1008:10 Single Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2140,2141,2210,2211,
&end
#
# 138 LEU HN 140 GLN HN 7.00 (# 1009:10 Unique 4.09, 4.17 A)
&rst
ixpk= 1009, nxpk= 10, iat=2114,2157, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1010 140 GLN HN 5.50 (# 1010:10 Single Ambig)
&rst
ixpk= 1010, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2178,2179,2197,2198,2199,
&end
#
# 0 AMB 10-2:1011 140 GLN HN 5.50 (# 1011:10 Single Ambig)
&rst
ixpk= 1011, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2183,2184,2185,2104,2105,2106, 364, 365, 366, 357,
358, 359,2123,2124,2125,
&end
#
# 2 ASP HN 78 ASP HN 7.00 (# 1013:10 Unique 2.84, 3.09 A)
&rst
ixpk= 1013, nxpk= 10, iat= 21,1151, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1014 78 ASP HN 7.00 (# 1014:10 Single Ambig)
&rst
ixpk= 1014, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1167,1168, 62, 63,
&end
#
# 79 LEU HN 78 ASP HN 4.50 (# 1015:10 Unique 1.86, 1.89 A)
&rst
ixpk= 1015, nxpk= 10, iat=1163,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ASP HA 78 ASP HN 7.00 (# 1016:10 Unique 4.43, 4.51 A)
&rst
ixpk= 1016, nxpk= 10, iat= 23,1151, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 78 ASP HA 78 ASP HN 5.50 (# 1017:10 Unique 2.97, 2.97 A)
&rst
ixpk= 1017, nxpk= 10, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1018 78 ASP HN 7.00 (# 1018:10 Single Ambig)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 6,1132,
&end
#
# 77 ALA HA 78 ASP HN 3.50 (# 1019:10 Unique 2.42, 2.50 A)
&rst
ixpk= 1019, nxpk= 10, iat=1143,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ASP HB- 78 ASP HN 3.50 (# 1020:10 Unique 2.59, 2.84 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1155,1156,
&end
#
# 77 ALA MB 78 ASP HN 4.50 (# 1021:10 Unique 2.15, 3.07 A)
&rst
ixpk= 1021, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1145,1146,1147,
&end
#
# 0 AMB 10-2:1022 78 ASP HN 7.00 (# 1022:10 Single Ambig)
&rst
ixpk= 1022, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1192,1193,1194,1176,1177,1178,
&end
#
# 0 AMB 10-2:1023 10 ASN HN 3.70 (# 1023:10 Single Ambig)
&rst
ixpk= 1023, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 111, 112, 143, 144,
&end
#
# 10 ASN HA 10 ASN HN 2.50 (# 1025:10 Unique 2.21, 2.27 A)
&rst
ixpk= 1025, nxpk= 10, iat= 141, 139, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 144 GLN HN 142 ALA HN 5.50 (# 1026:10 Unique 4.09, 4.18 A)
&rst
ixpk= 1026, nxpk= 10, iat=2225,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1027 142 ALA HN 7.00 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1668, 314,
&end
#
# 21 PHE QE 142 ALA HN 4.50 (# 1028:10 Unique 2.41, 4.44 A)
&rst
ixpk= 1028, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 308, 312,
&end
#
# 21 PHE QD 142 ALA HN 7.00 (# 1029:10 Unique 4.25, 5.91 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 306, 314,
&end
#
# 0 AMB 10-2:1030 142 ALA HN 4.50 (# 1030:10 Single Ambig)
&rst
ixpk= 1030, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2249,2207,2208,2140,2141,
&end
#
# 0 AMB 10-2:1031 142 ALA HN 5.50 (# 1031:10 Single Ambig)
&rst
ixpk= 1031, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2207,2208,2246,2247,2137,2138,
&end
#
# 138 LEU MD2 142 ALA HN 7.00 (# 1032:10 Unique 6.79, 7.49 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2127,2128,2129,
&end
#
# 0 AMB 10-2:1033 39 VAL HN 7.00 (# 1033:10 Single Ambig)
&rst
ixpk= 1033, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 107, 132,
&end
#
# 0 AMB 10-2:1036 39 VAL HN 5.50 (# 1036:10 Single Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 576,1020,1021,
&end
#
# 0 AMB 10-2:1037 39 VAL HN 7.00 (# 1037:10 Single Ambig)
&rst
ixpk= 1037, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 612, 613, 614, 559, 560, 561,
&end
#
# 39 VAL MG1 39 VAL HN 4.50 (# 1038:10 Unique 2.63, 4.22 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 578, 579, 580,
&end
#
# 39 VAL MG2 39 VAL HN 5.50 (# 1039:10 Unique 1.91, 2.86 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 582, 583, 584,
&end
#
# 40 PHE HN 39 VAL HN 2.70 (# 1040:10 Unique 2.61, 2.69 A)
&rst
ixpk= 1040, nxpk= 10, iat= 588, 572, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 0 AMB 10-2:1041 39 VAL HN 4.50 (# 1041:10 Single Ambig)
&rst
ixpk= 1041, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 574,
&end
#
# 56 PHE HN 57 GLU HN 4.50 (# 1042:10 Unique 2.62, 2.65 A)
&rst
ixpk= 1042, nxpk= 10, iat= 811, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE QE 57 GLU HN 7.00 (# 1043:10 Unique 6.07, 6.78 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 821, 825,
&end
#
# 58 LYS HN 57 GLU HN 4.50 (# 1044:10 Unique 2.70, 2.73 A)
&rst
ixpk= 1044, nxpk= 10, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HA 57 GLU HN 4.50 (# 1046:10 Unique 3.60, 3.61 A)
&rst
ixpk= 1046, nxpk= 10, iat= 813, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLU HA 57 GLU HN 3.50 (# 1047:10 Unique 2.83, 2.86 A)
&rst
ixpk= 1047, nxpk= 10, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HB- 57 GLU HN 5.50 (# 1048:10 Unique 2.72, 3.36 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 815, 816,
&end
#
# 56 PHE HB+ 57 GLU HN 5.50 (# 1049:10 Unique 2.72, 3.36 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 815, 816,
&end
#
# 57 GLU HG+ 57 GLU HN 5.50 (# 1050:10 Unique 2.55, 4.18 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 839,
&end
#
# 57 GLU HG- 57 GLU HN 5.50 (# 1051:10 Unique 2.55, 4.18 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 838, 839,
&end
#
# 57 GLU HB+ 57 GLU HN 3.50 (# 1052:10 Unique 2.24, 2.57 A)
&rst
ixpk= 1052, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 57 GLU HB- 57 GLU HN 3.50 (# 1053:10 Unique 2.24, 2.57 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 835, 836,
&end
#
# 55 LEU HB+ 57 GLU HN 5.50 (# 1054:10 Unique 5.29, 5.52 A)
&rst
ixpk= 1054, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 58 LYS HB- 57 GLU HN 7.00 (# 1055:10 Unique 5.01, 5.10 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:1056 57 GLU HN 5.50 (# 1056:10 Single Ambig)
&rst
ixpk= 1056, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 786, 787, 788, 889, 853, 854,
&end
#
# 141 LEU HN 140 GLN HN 3.50 (# 1058:10 Unique 2.63, 2.68 A)
&rst
ixpk= 1058, nxpk= 10, iat=2174,2157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1059 140 GLN HN 3.50 (# 1059:10 Single Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2159,2097,2135,
&end
#
# 140 GLN HG+ 140 GLN HN 3.50 (# 1060:10 Unique 2.46, 3.12 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2164,2165,
&end
#
# 109 VAL MG1 140 GLN HN 5.50 (# 1061:10 Unique 4.20, 5.12 A)
&rst
ixpk= 1061, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1687,1688,1689,
&end
#
# 140 GLN HB+ 140 GLN HN 3.50 (# 1062:10 Unique 2.40, 3.05 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2161,2162,
&end
#
# 41 ALA HA 42 SER HN 2.50 (# 1064:10 Unique 2.20, 2.45 A)
&rst
ixpk= 1064, nxpk= 10, iat= 610, 618, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 42 SER HB+ 42 SER HN 3.50 (# 1065:10 Unique 2.57, 3.25 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 622, 623,
&end
#
# 41 ALA MB 42 SER HN 4.50 (# 1066:10 Unique 2.28, 3.42 A)
&rst
ixpk= 1066, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 612, 613, 614,
&end
#
# 143 LYS HN 142 ALA HN 4.50 (# 1067:10 Unique 2.63, 2.69 A)
&rst
ixpk= 1067, nxpk= 10, iat=2203,2193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 LEU HA 142 ALA HN 5.50 (# 1068:10 Unique 3.56, 3.57 A)
&rst
ixpk= 1068, nxpk= 10, iat=2176,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 LEU HA 142 ALA HN 5.50 (# 1069:10 Unique 3.75, 3.90 A)
&rst
ixpk= 1069, nxpk= 10, iat=2116,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1070 142 ALA HN 4.50 (# 1070:10 Single Ambig)
&rst
ixpk= 1070, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2135,2159,
&end
#
# 142 ALA HA 142 ALA HN 3.50 (# 1071:10 Unique 2.84, 2.85 A)
&rst
ixpk= 1071, nxpk= 10, iat=2195,2193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 LYS HA 142 ALA HN 7.00 (# 1072:10 Unique 5.28, 5.32 A)
&rst
ixpk= 1072, nxpk= 10, iat=2205,2193, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 141 LEU HB+ 142 ALA HN 4.50 (# 1073:10 Unique 2.57, 3.07 A)
&rst
ixpk= 1073, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2178,2179,
&end
#
# 0 AMB 10-2:1074 142 ALA HN 3.50 (# 1074:10 Single Ambig)
&rst
ixpk= 1074, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2197,2198,2199,2178,2179,
&end
#
# 0 AMB 10-2:1075 142 ALA HN 4.50 (# 1075:10 Single Ambig)
&rst
ixpk= 1075, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 357, 358, 359,2251,2252,2253, 364, 365, 366,2183,
2184,2185,2123,2124,2125,
&end
#
# 141 LEU HG 142 ALA HN 5.50 (# 1076:10 Unique 4.65, 4.95 A)
&rst
ixpk= 1076, nxpk= 10, iat=2181,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 LEU HN 142 ALA HN 4.50 (# 1077:10 Unique 2.80, 2.82 A)
&rst
ixpk= 1077, nxpk= 10, iat=2174,2193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1078 142 ALA HN 5.50 (# 1078:10 Single Ambig)
&rst
ixpk= 1078, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2161,2162, 426, 427, 423, 424,
&end
#
# 0 AMB 10-2:1079 142 ALA HN 7.00 (# 1079:10 Single Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1687,1688,1689, 361, 362,
&end
#
# 6 VAL MG2 39 VAL HN 5.50 (# 1080:10 Unique 2.68, 3.50 A)
&rst
ixpk= 1080, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 101, 102, 103,
&end
#
# 0 AMB 10-2:1082 32 VAL HN 3.50 (# 1082:10 Single Ambig)
&rst
ixpk= 1082, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 462, 476,
&end
#
# 31 ASN HB+ 32 VAL HN 5.50 (# 1083:10 Unique 4.30, 4.45 A)
&rst
ixpk= 1083, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 464, 465,
&end
#
# 31 ASN HB- 32 VAL HN 5.50 (# 1084:10 Unique 4.30, 4.45 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 464, 465,
&end
#
# 32 VAL MG2 32 VAL HN 4.50 (# 1085:10 Unique 2.63, 3.32 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 484, 485, 486,
&end
#
# 32 VAL MG1 32 VAL HN 4.50 (# 1086:10 Unique 3.46, 4.17 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 480, 481, 482,
&end
#
# 0 AMB 10-2:1087 88 LYS HN 7.00 (# 1087:10 Single Ambig)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1244,1227,
&end
#
# 89 GLN HN 88 LYS HN 4.50 (# 1088:10 Unique 2.77, 2.81 A)
&rst
ixpk= 1088, nxpk= 10, iat=1331,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 HIS HN 88 LYS HN 4.50 (# 1089:10 Unique 2.64, 2.68 A)
&rst
ixpk= 1089, nxpk= 10, iat=1292,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1090 0 AMB 10-1:1090 5.50 (# 1090:10 Double Ambig)
&rst
ixpk= 1090, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1294, 813,
igr2=1309, 792,
&end
#
# 85 HIS HA 88 LYS HN 5.50 (# 1091:10 Unique 2.98, 3.06 A)
&rst
ixpk= 1091, nxpk= 10, iat=1260,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HB- 88 LYS HN 5.50 (# 1092:10 Unique 2.46, 3.14 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1296,1297,
&end
#
# 88 LYS HA 88 LYS HN 4.50 (# 1093:10 Unique 2.83, 2.84 A)
&rst
ixpk= 1093, nxpk= 10, iat=1311,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 HIS HB+ 88 LYS HN 5.50 (# 1094:10 Unique 2.46, 3.14 A)
&rst
ixpk= 1094, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1296,1297,
&end
#
# 88 LYS HB+ 88 LYS HN 3.50 (# 1095:10 Unique 2.33, 2.52 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1313,1314,
&end
#
# 88 LYS QD 88 LYS HN 5.50 (# 1096:10 Unique 4.57, 5.19 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 0 AMB 10-2:1097 88 LYS HN 3.50 (# 1097:10 Single Ambig)
&rst
ixpk= 1097, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1313,1314,1221,1222,1223,
&end
#
# 0 AMB 10-2:1098 0 AMB 10-1:1098 5.50 (# 1098:10 Double Ambig)
&rst
ixpk= 1098, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 918, 919,1377,1378,1250,1251,1252,1358,1359,
igr2= 792,1309,
&end
#
# 39 VAL MG1 88 LYS HN 7.00 (# 1099:10 Unique 6.13, 7.92 A)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 578, 579, 580,
&end
#
# 104 THR MG2 88 LYS HN 5.50 (# 1100:10 Unique 4.23, 5.22 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1596,1597,1598,
&end
#
# 20 LEU HA 21 PHE HN 5.50 (# 1102:10 Unique 3.58, 3.59 A)
&rst
ixpk= 1102, nxpk= 10, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HB+ 21 PHE HN 4.50 (# 1103:10 Unique 2.74, 3.22 A)
&rst
ixpk= 1103, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 283, 284,
&end
#
# 20 LEU HN 21 PHE HN 4.50 (# 1104:10 Unique 2.59, 2.62 A)
&rst
ixpk= 1104, nxpk= 10, iat= 279, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 LYS HN 21 PHE HN 4.50 (# 1105:10 Unique 2.60, 2.65 A)
&rst
ixpk= 1105, nxpk= 10, iat= 318, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1106 21 PHE HN 5.50 (# 1106:10 Single Ambig)
&rst
ixpk= 1106, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 306, 314, 79, 87,
&end
#
# 21 PHE HA 21 PHE HN 5.50 (# 1107:10 Unique 2.86, 2.86 A)
&rst
ixpk= 1107, nxpk= 10, iat= 300, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB- 21 PHE HN 4.50 (# 1108:10 Unique 2.49, 2.67 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 302, 303,
&end
#
# 0 AMB 10-2:1109 21 PHE HN 5.50 (# 1109:10 Single Ambig)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 325, 326, 328, 329,
&end
#
# 20 LEU HB- 21 PHE HN 5.50 (# 1110:10 Unique 2.74, 3.22 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 283, 284,
&end
#
# 138 LEU MD2 21 PHE HN 5.50 (# 1111:10 Unique 2.70, 3.58 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2127,2128,2129,
&end
#
# 41 ALA HN 42 SER HN 4.50 (# 1112:10 Unique 4.35, 4.53 A)
&rst
ixpk= 1112, nxpk= 10, iat= 608, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1113 55 LEU HN 3.50 (# 1113:10 Single Ambig)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 811, 782,
&end
#
# 0 AMB 10-2:1114 55 LEU HN 5.50 (# 1114:10 Single Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 743, 769,
&end
#
# 56 PHE HB- 55 LEU HN 7.00 (# 1115:10 Unique 4.57, 4.98 A)
&rst
ixpk= 1115, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 815, 816,
&end
#
# 0 AMB 10-2:1116 55 LEU HN 7.00 (# 1116:10 Single Ambig)
&rst
ixpk= 1116, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2005,2006, 815, 816,
&end
#
# 55 LEU HB+ 55 LEU HN 3.50 (# 1117:10 Unique 2.17, 2.91 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 796, 797,
&end
#
# 54 ALA MB 55 LEU HN 3.50 (# 1118:10 Unique 2.51, 3.39 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 786, 787, 788,
&end
#
# 52 VAL MG1 55 LEU HN 7.00 (# 1119:10 Unique 5.95, 6.36 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 757, 758, 759,
&end
#
# 0 AMB 10-2:1120 0 AMB 10-1:1120 7.00 (# 1120:10 Double Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 923, 924, 925,1380,1381,1382,
igr2= 792,1309,
&end
#
# 78 ASP HN 79 LEU HN 3.50 (# 1121:10 Unique 1.86, 1.89 A)
&rst
ixpk= 1121, nxpk= 10, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE HN 79 LEU HN 5.50 (# 1122:10 Unique 3.75, 3.97 A)
&rst
ixpk= 1122, nxpk= 10, iat= 52,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ALA HN 79 LEU HN 7.00 (# 1123:10 Unique 5.76, 5.83 A)
&rst
ixpk= 1123, nxpk= 10, iat=1141,1163, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1124 79 LEU HN 3.50 (# 1124:10 Single Ambig)
&rst
ixpk= 1124, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 35,1153,
&end
#
# 79 LEU HA 79 LEU HN 4.50 (# 1125:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1125, nxpk= 10, iat=1165,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ALA HA 79 LEU HN 4.50 (# 1126:10 Unique 4.15, 4.22 A)
&rst
ixpk= 1126, nxpk= 10, iat=1143,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 ASP HB- 79 LEU HN 3.50 (# 1127:10 Unique 2.99, 3.68 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1155,1156,
&end
#
# 0 AMB 10-2:1128 79 LEU HN 5.50 (# 1128:10 Single Ambig)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1539,1540, 43, 44, 56,
&end
#
# 79 LEU HB+ 79 LEU HN 3.50 (# 1129:10 Unique 2.67, 2.94 A)
&rst
ixpk= 1129, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1167,1168,
&end
#
# 77 ALA MB 79 LEU HN 3.50 (# 1130:10 Unique 2.72, 3.74 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1145,1146,1147,
&end
#
# 3 ILE HG1+ 79 LEU HN 5.50 (# 1131:10 Unique 4.17, 4.75 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 43, 44,
&end
#
# 0 AMB 10-2:1132 79 LEU HN 5.50 (# 1132:10 Single Ambig)
&rst
ixpk= 1132, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 46, 47, 48,1188,1189,1190,
&end
#
# 0 AMB 10-2:1133 79 LEU HN 5.50 (# 1133:10 Single Ambig)
&rst
ixpk= 1133, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,1176,1177,1178,
&end
#
# 79 LEU MD1 79 LEU HN 5.50 (# 1134:10 Unique 4.87, 5.43 A)
&rst
ixpk= 1134, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1172,1173,1174,
&end
#
# 3 ILE QG2 79 LEU HN 7.00 (# 1135:10 Unique 4.48, 5.49 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 39, 40, 41,
&end
#
# 0 AMB 10-2:1136 21 PHE HN 5.50 (# 1136:10 Single Ambig)
&rst
ixpk= 1136, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 514, 515, 516, 273, 274, 275,
&end
#
# 21 PHE HD2 21 PHE HN 5.50 (# 1137:10 Unique 5.00, 5.07 A)
&rst
ixpk= 1137, nxpk= 10, iat= 314, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1138 21 PHE HN 5.50 (# 1138:10 Single Ambig)
&rst
ixpk= 1138, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 320,
&end
#
# 17 ALA HA 21 PHE HN 5.50 (# 1139:10 Unique 3.66, 3.76 A)
&rst
ixpk= 1139, nxpk= 10, iat= 246, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB+ 21 PHE HN 4.50 (# 1140:10 Unique 2.49, 2.67 A)
&rst
ixpk= 1140, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 302, 303,
&end
#
# 0 AMB 10-2:1141 21 PHE HN 4.50 (# 1141:10 Single Ambig)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 286, 288, 289, 290,
&end
#
# 98 TYR HA 100 ASP HN 5.50 (# 1147:10 Unique 3.20, 3.44 A)
&rst
ixpk= 1147, nxpk= 10, iat=1477,1520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR HN 100 ASP HN 7.00 (# 1148:10 Unique 5.16, 5.32 A)
&rst
ixpk= 1148, nxpk= 10, iat=1475,1520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 101 LYS HN 100 ASP HN 4.50 (# 1149:10 Unique 2.84, 2.92 A)
&rst
ixpk= 1149, nxpk= 10, iat=1532,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ARG HN 100 ASP HN 4.50 (# 1150:10 Unique 2.49, 2.61 A)
&rst
ixpk= 1150, nxpk= 10, iat=1496,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 VAL HN 100 ASP HN 7.00 (# 1151:10 Unique 4.10, 4.22 A)
&rst
ixpk= 1151, nxpk= 10, iat=1554,1520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 101 LYS HA 100 ASP HN 5.50 (# 1153:10 Unique 5.43, 5.50 A)
&rst
ixpk= 1153, nxpk= 10, iat=1534,1520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HA 100 ASP HN 3.50 (# 1154:10 Unique 2.75, 2.78 A)
&rst
ixpk= 1154, nxpk= 10, iat=1522,1520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ARG HA 100 ASP HN 4.50 (# 1155:10 Unique 3.35, 3.45 A)
&rst
ixpk= 1155, nxpk= 10, iat=1498,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1156 0 AMB 10-1:1156 5.50 (# 1156:10 Double Ambig)
&rst
ixpk= 1156, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1506,1507,2005,2006,
igr2=1520,2046,
&end
#
# 100 ASP HB+ 100 ASP HN 4.50 (# 1157:10 Unique 2.39, 2.48 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1524,1525,
&end
#
# 100 ASP HB- 100 ASP HN 3.50 (# 1158:10 Unique 2.39, 2.48 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1524,1525,
&end
#
# 0 AMB 10-2:1159 100 ASP HN 4.50 (# 1159:10 Single Ambig)
&rst
ixpk= 1159, nxpk= 10, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1500,1501,1536,1537,
&end
#
# 99 ARG HG- 100 ASP HN 4.50 (# 1160:10 Unique 3.03, 4.72 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1503,1504,
&end
#
# 101 LYS HG- 100 ASP HN 7.00 (# 1161:10 Unique 4.35, 5.44 A)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1539,1540,
&end
#
# 146 LYS HN 145 LEU HN 4.50 (# 1162:10 Unique 2.77, 2.83 A)
&rst
ixpk= 1162, nxpk= 10, iat=2261,2242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1163 145 LEU HN 4.50 (# 1163:10 Single Ambig)
&rst
ixpk= 1163, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2244,2176,
&end
#
# 0 AMB 10-2:1164 145 LEU HN 4.50 (# 1164:10 Single Ambig)
&rst
ixpk= 1164, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2195,2227,
&end
#
# 143 LYS HA 145 LEU HN 7.00 (# 1165:10 Unique 4.43, 4.53 A)
&rst
ixpk= 1165, nxpk= 10, iat=2205,2242, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 144 GLN HG- 145 LEU HN 5.50 (# 1166:10 Unique 4.39, 4.79 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2232,2233,
&end
#
# 144 GLN HB+ 145 LEU HN 4.50 (# 1167:10 Unique 2.49, 3.08 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2229,2230,
&end
#
# 0 AMB 10-2:1168 145 LEU HN 7.00 (# 1168:10 Single Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2178,2179,2161,2162,
&end
#
# 144 GLN HB- 145 LEU HN 5.50 (# 1169:10 Unique 2.49, 3.08 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2229,2230,
&end
#
# 145 LEU HG 145 LEU HN 3.50 (# 1170:10 Unique 2.38, 2.45 A)
&rst
ixpk= 1170, nxpk= 10, iat=2249,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 LEU HB+ 145 LEU HN 3.50 (# 1171:10 Unique 2.39, 3.09 A)
&rst
ixpk= 1171, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2246,2247,
&end
#
# 145 LEU HB- 145 LEU HN 3.50 (# 1172:10 Unique 2.39, 3.09 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2246,2247,
&end
#
# 0 AMB 10-2:1173 145 LEU HN 3.50 (# 1173:10 Single Ambig)
&rst
ixpk= 1173, nxpk= 10, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2255,2256,2257,2251,2252,2253, 450, 451, 452,
&end
#
# 143 LYS HN 145 LEU HN 7.00 (# 1174:10 Unique 4.19, 4.25 A)
&rst
ixpk= 1174, nxpk= 10, iat=2203,2242, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 PRO HA 18 GLU HN 5.50 (# 1175:10 Unique 2.95, 3.12 A)
&rst
ixpk= 1175, nxpk= 10, iat= 223, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1176 18 GLU HN 5.50 (# 1176:10 Single Ambig)
&rst
ixpk= 1176, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 548, 549, 229, 206, 207,
&end
#
# 0 AMB 10-2:1177 18 GLU HN 7.00 (# 1177:10 Single Ambig)
&rst
ixpk= 1177, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2055,2056,2057, 286,
&end
#
# 0 AMB 10-2:1178 18 GLU HN 5.50 (# 1178:10 Single Ambig)
&rst
ixpk= 1178, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 220, 221,2055,2056,2057, 927, 928, 929,
&end
#
# 17 ALA HN 18 GLU HN 4.50 (# 1179:10 Unique 2.61, 2.69 A)
&rst
ixpk= 1179, nxpk= 10, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ALA HN 18 GLU HN 4.50 (# 1180:10 Unique 2.78, 2.80 A)
&rst
ixpk= 1180, nxpk= 10, iat= 269, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1181 18 GLU HN 5.50 (# 1181:10 Single Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 79, 87, 227,
&end
#
# 14 SER HA 18 GLU HN 7.00 (# 1182:10 Unique 4.02, 4.14 A)
&rst
ixpk= 1182, nxpk= 10, iat= 204, 254, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 GLU HA 18 GLU HN 4.50 (# 1183:10 Unique 2.81, 2.83 A)
&rst
ixpk= 1183, nxpk= 10, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HA 18 GLU HN 5.50 (# 1184:10 Unique 3.55, 3.56 A)
&rst
ixpk= 1184, nxpk= 10, iat= 246, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 PHE HB+ 18 GLU HN 7.00 (# 1185:10 Unique 3.94, 4.33 A)
&rst
ixpk= 1185, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 75, 76,
&end
#
# 18 GLU HB+ 18 GLU HN 3.50 (# 1186:10 Unique 2.10, 2.50 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 0 AMB 10-2:1187 18 GLU HN 4.50 (# 1187:10 Single Ambig)
&rst
ixpk= 1187, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 261, 262, 508,
&end
#
# 18 GLU HB- 18 GLU HN 3.50 (# 1188:10 Unique 2.10, 2.50 A)
&rst
ixpk= 1188, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 0 AMB 10-2:1189 18 GLU HN 5.50 (# 1189:10 Single Ambig)
&rst
ixpk= 1189, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 273, 274, 275, 514, 515, 516, 921,
&end
#
# 17 ALA MB 18 GLU HN 4.50 (# 1190:10 Unique 2.60, 3.46 A)
&rst
ixpk= 1190, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 248, 249, 250,
&end
#
# 86 GLN HN 87 HIS HN 5.50 (# 1192:10 Unique 2.60, 2.68 A)
&rst
ixpk= 1192, nxpk= 10, iat=1275,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HN 87 HIS HN 5.50 (# 1193:10 Unique 3.19, 3.47 A)
&rst
ixpk= 1193, nxpk= 10, iat=1244,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HD2 87 HIS HN 5.50 (# 1194:10 Unique 2.90, 4.56 A)
&rst
ixpk= 1194, nxpk= 10, iat=1305,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HB 87 HIS HN 5.50 (# 1196:10 Unique 2.24, 3.59 A)
&rst
ixpk= 1196, nxpk= 10, iat=1248,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HA 87 HIS HN 4.50 (# 1197:10 Unique 2.85, 2.86 A)
&rst
ixpk= 1197, nxpk= 10, iat=1294,1292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLN HA 87 HIS HN 5.50 (# 1198:10 Unique 3.56, 3.58 A)
&rst
ixpk= 1198, nxpk= 10, iat=1277,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HB- 87 HIS HN 4.50 (# 1199:10 Unique 2.36, 3.05 A)
&rst
ixpk= 1199, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1296,1297,
&end
#
# 87 HIS HB+ 87 HIS HN 4.50 (# 1200:10 Unique 2.36, 3.05 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1296,1297,
&end
#
# 86 GLN HG- 87 HIS HN 7.00 (# 1201:10 Unique 3.65, 4.28 A)
&rst
ixpk= 1201, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1282,1283,
&end
#
# 88 LYS HB+ 87 HIS HN 7.00 (# 1202:10 Unique 4.63, 4.96 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1313,1314,
&end
#
# 86 GLN HB+ 87 HIS HN 4.50 (# 1203:10 Unique 2.61, 3.35 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1279,1280,
&end
#
# 86 GLN HB- 87 HIS HN 4.50 (# 1204:10 Unique 2.61, 3.35 A)
&rst
ixpk= 1204, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1279,1280,
&end
#
# 0 AMB 10-2:1205 87 HIS HN 5.50 (# 1205:10 Single Ambig)
&rst
ixpk= 1205, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1221,1222,1223,1313,1314, 124, 125, 126,
&end
#
# 84 THR MG2 87 HIS HN 5.50 (# 1206:10 Unique 4.11, 4.92 A)
&rst
ixpk= 1206, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1250,1251,1252,
&end
#
# 90 ILE QD1 87 HIS HN 7.00 (# 1207:10 Unique 4.36, 5.34 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1361,1362,1363,
&end
#
# 103 PHE QD 102 VAL HN 7.00 (# 1210:10 Unique 4.24, 5.75 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1578,1586,
&end
#
# 99 ARG HG- 102 VAL HN 5.50 (# 1211:10 Unique 3.95, 4.76 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1503,1504,
&end
#
# 91 ILE QG2 102 VAL HN 7.00 (# 1212:10 Unique 5.70, 6.56 A)
&rst
ixpk= 1212, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1373,1374,1375,
&end
#
# 103 PHE HN 102 VAL HN 5.50 (# 1213:10 Unique 4.31, 4.48 A)
&rst
ixpk= 1213, nxpk= 10, iat=1570,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HN 102 VAL HN 5.50 (# 1214:10 Unique 4.10, 4.22 A)
&rst
ixpk= 1214, nxpk= 10, iat=1520,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LYS HN 102 VAL HN 3.50 (# 1215:10 Unique 2.47, 2.59 A)
&rst
ixpk= 1215, nxpk= 10, iat=1532,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1216 102 VAL HN 5.50 (# 1216:10 Single Ambig)
&rst
ixpk= 1216, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1580,1584,1496,
&end
#
# 102 VAL HA 102 VAL HN 4.50 (# 1217:10 Unique 2.90, 2.93 A)
&rst
ixpk= 1217, nxpk= 10, iat=1556,1554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LYS HA 102 VAL HN 4.50 (# 1218:10 Unique 3.12, 3.38 A)
&rst
ixpk= 1218, nxpk= 10, iat=1534,1554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ASP HA 102 VAL HN 5.50 (# 1219:10 Unique 3.82, 3.94 A)
&rst
ixpk= 1219, nxpk= 10, iat=1522,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HA 102 VAL HN 5.50 (# 1220:10 Unique 2.97, 3.38 A)
&rst
ixpk= 1220, nxpk= 10, iat=1498,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1221 102 VAL HN 3.50 (# 1221:10 Single Ambig)
&rst
ixpk= 1221, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1558,1536,1537,
&end
#
# 101 LYS HB- 102 VAL HN 5.50 (# 1222:10 Unique 3.21, 4.09 A)
&rst
ixpk= 1222, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1536,1537,
&end
#
# 101 LYS HG- 102 VAL HN 5.50 (# 1223:10 Unique 3.65, 4.51 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1539,1540,
&end
#
# 102 VAL MG2 102 VAL HN 3.50 (# 1224:10 Unique 2.25, 3.36 A)
&rst
ixpk= 1224, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1564,1565,1566,
&end
#
# 80 VAL MG1 102 VAL HN 5.50 (# 1225:10 Unique 5.55, 6.19 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1188,1189,1190,
&end
#
# 0 AMB 10-2:1226 102 VAL HN 5.50 (# 1226:10 Single Ambig)
&rst
ixpk= 1226, nxpk= 10, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,1380,1381,1382,
&end
#
# 135 GLU HN 134 LEU HN 5.50 (# 1228:10 Unique 2.71, 2.75 A)
&rst
ixpk= 1228, nxpk= 10, iat=2065,2046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HA 134 LEU HN 4.50 (# 1229:10 Unique 2.81, 2.81 A)
&rst
ixpk= 1229, nxpk= 10, iat=2048,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1230 134 LEU HN 3.50 (# 1230:10 Single Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2035,2036,2038,2039,
&end
#
# 0 AMB 10-2:1231 134 LEU HN 3.50 (# 1231:10 Single Ambig)
&rst
ixpk= 1231, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2050,2051,2035,2036,
&end
#
# 0 AMB 10-2:1232 134 LEU HN 5.50 (# 1232:10 Single Ambig)
&rst
ixpk= 1232, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2038,2039,2099,2100,
&end
#
# 134 LEU HB- 134 LEU HN 4.50 (# 1233:10 Unique 2.29, 2.45 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2051,
&end
#
# 0 AMB 10-2:1234 0 AMB 10-1:1234 4.50 (# 1234:10 Double Ambig)
&rst
ixpk= 1234, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2055,2056,2057,1564,1565,1566,
igr2=2046,1520,
&end
#
# 132 ASP HN 134 LEU HN 7.00 (# 1235:10 Unique 3.87, 3.94 A)
&rst
ixpk= 1235, nxpk= 10, iat=2019,2046, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 133 GLU HN 134 LEU HN 4.50 (# 1236:10 Unique 2.37, 2.43 A)
&rst
ixpk= 1236, nxpk= 10, iat=2031,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1237 134 LEU HN 5.50 (# 1237:10 Single Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2033,1767,
&end
#
# 0 AMB 10-2:1239 0 AMB 10-1:1239 5.50 (# 1239:10 Double Ambig)
&rst
ixpk= 1239, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1987,1988,1989,2099,2100,1455,1456,
igr2=2046,1520,
&end
#
# 21 PHE HN 22 LYS HN 4.50 (# 1240:10 Unique 2.60, 2.65 A)
&rst
ixpk= 1240, nxpk= 10, iat= 298, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ALA HN 22 LYS HN 7.00 (# 1241:10 Unique 4.58, 4.65 A)
&rst
ixpk= 1241, nxpk= 10, iat= 370, 318, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 PHE QD 22 LYS HN 7.00 (# 1242:10 Unique 4.06, 4.98 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 306, 314,
&end
#
# 21 PHE HA 22 LYS HN 4.50 (# 1243:10 Unique 3.57, 3.57 A)
&rst
ixpk= 1243, nxpk= 10, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ALA HA 22 LYS HN 4.50 (# 1244:10 Unique 3.42, 3.52 A)
&rst
ixpk= 1244, nxpk= 10, iat= 271, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 LEU HA 22 LYS HN 5.50 (# 1245:10 Unique 4.47, 4.51 A)
&rst
ixpk= 1245, nxpk= 10, iat= 281, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HG+ 22 LYS HN 4.50 (# 1246:10 Unique 2.46, 3.17 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 25 ALA MB 22 LYS HN 7.00 (# 1247:10 Unique 5.11, 5.79 A)
&rst
ixpk= 1247, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 374, 375, 376,
&end
#
# 0 AMB 10-2:1248 22 LYS HN 5.50 (# 1248:10 Single Ambig)
&rst
ixpk= 1248, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 898, 899, 900, 484, 485, 486, 286, 357, 358, 359,
&end
#
# 0 AMB 10-2:1251 83 MET HN 7.00 (# 1251:10 Single Ambig)
&rst
ixpk= 1251, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 107,1309,
&end
#
# 82 ALA HA 83 MET HN 4.50 (# 1252:10 Unique 2.15, 2.18 A)
&rst
ixpk= 1252, nxpk= 10, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 MET HA 83 MET HN 5.50 (# 1253:10 Unique 2.80, 2.84 A)
&rst
ixpk= 1253, nxpk= 10, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 MET HB+ 83 MET HN 3.50 (# 1254:10 Unique 2.25, 2.98 A)
&rst
ixpk= 1254, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1231,1232,
&end
#
# 0 AMB 10-2:1255 83 MET HN 4.50 (# 1255:10 Single Ambig)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1234,1235,1238,1239,1240,
&end
#
# 83 MET HG- 83 MET HN 4.50 (# 1256:10 Unique 2.28, 3.45 A)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1234,1235,
&end
#
# 0 AMB 10-2:1257 83 MET HN 4.50 (# 1257:10 Single Ambig)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1221,1222,1223,1608,1609,
&end
#
# 84 THR MG2 83 MET HN 7.00 (# 1258:10 Unique 4.90, 6.20 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1250,1251,1252,
&end
#
# 85 HIS HA 87 HIS HN 7.00 (# 1261:10 Unique 4.03, 4.23 A)
&rst
ixpk= 1261, nxpk= 10, iat=1260,1292, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 131 ARG HA 134 LEU HN 5.50 (# 1263:10 Unique 3.26, 3.35 A)
&rst
ixpk= 1263, nxpk= 10, iat=1997,2046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HN 72 GLU HN 4.50 (# 1264:10 Unique 2.80, 2.81 A)
&rst
ixpk= 1264, nxpk= 10, iat=1049,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1265 72 GLU HN 4.50 (# 1265:10 Single Ambig)
&rst
ixpk= 1265, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1079,1098,
&end
#
# 95 PHE HD2 72 GLU HN 7.00 (# 1266:10 Unique 6.46, 6.60 A)
&rst
ixpk= 1266, nxpk= 10, iat=1440,1064, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 THR HN 72 GLU HN 7.00 (# 1267:10 Unique 4.97, 5.02 A)
&rst
ixpk= 1267, nxpk= 10, iat=1035,1064, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 THR HB 72 GLU HN 3.50 (# 1270:10 Unique 3.31, 3.38 A)
&rst
ixpk= 1270, nxpk= 10, iat=1039,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLU HA 72 GLU HN 3.50 (# 1271:10 Unique 2.84, 2.84 A)
&rst
ixpk= 1271, nxpk= 10, iat=1066,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1272 72 GLU HN 7.00 (# 1272:10 Single Ambig)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1081,1134,1135,
&end
#
# 71 GLU HA 72 GLU HN 5.50 (# 1273:10 Unique 3.53, 3.54 A)
&rst
ixpk= 1273, nxpk= 10, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HG+ 72 GLU HN 5.50 (# 1274:10 Unique 4.24, 4.65 A)
&rst
ixpk= 1274, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1056,1057,
&end
#
# 71 GLU HG- 72 GLU HN 7.00 (# 1275:10 Unique 4.24, 4.65 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1056,1057,
&end
#
# 0 AMB 10-2:1276 72 GLU HN 3.50 (# 1276:10 Single Ambig)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1071,1072,1053,1054,
&end
#
# 71 GLU HB- 72 GLU HN 3.50 (# 1277:10 Unique 2.83, 3.42 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1053,1054,
&end
#
# 72 GLU HB+ 72 GLU HN 3.50 (# 1278:10 Unique 2.62, 3.12 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1068,1069,
&end
#
# 72 GLU HB- 72 GLU HN 3.50 (# 1279:10 Unique 2.62, 3.12 A)
&rst
ixpk= 1279, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1068,1069,
&end
#
# 73 LEU HB+ 72 GLU HN 5.50 (# 1280:10 Unique 4.82, 5.02 A)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1083,1084,
&end
#
# 70 THR MG2 72 GLU HN 5.50 (# 1281:10 Unique 5.58, 5.90 A)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 0 AMB 10-2:1282 72 GLU HN 7.00 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1083,1084,1105,1106,
&end
#
# 23 SER HA 22 LYS HN 5.50 (# 1285:10 Unique 5.29, 5.32 A)
&rst
ixpk= 1285, nxpk= 10, iat= 342, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HA 22 LYS HN 4.50 (# 1286:10 Unique 4.47, 4.51 A)
&rst
ixpk= 1286, nxpk= 10, iat= 281, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ASP HN 99 ARG HN 5.50 (# 1288:10 Unique 2.49, 2.61 A)
&rst
ixpk= 1288, nxpk= 10, iat=1520,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR HN 99 ARG HN 3.50 (# 1289:10 Unique 3.14, 3.23 A)
&rst
ixpk= 1289, nxpk= 10, iat=1475,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 LYS HN 99 ARG HN 7.00 (# 1290:10 Unique 4.53, 4.82 A)
&rst
ixpk= 1290, nxpk= 10, iat=1532,1496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 98 TYR HA 99 ARG HN 5.50 (# 1291:10 Unique 2.69, 2.85 A)
&rst
ixpk= 1291, nxpk= 10, iat=1477,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HA 99 ARG HN 7.00 (# 1293:10 Unique 4.88, 5.02 A)
&rst
ixpk= 1293, nxpk= 10, iat=1522,1496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 GLN HA 99 ARG HN 7.00 (# 1294:10 Unique 6.95, 7.87 A)
&rst
ixpk= 1294, nxpk= 10, iat=1333,1496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1295 99 ARG HN 3.50 (# 1295:10 Single Ambig)
&rst
ixpk= 1295, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1498,1388,
&end
#
# 0 AMB 10-2:1296 99 ARG HN 5.50 (# 1296:10 Single Ambig)
&rst
ixpk= 1296, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1506,1507,1428,1429,
&end
#
# 98 TYR HB+ 99 ARG HN 5.50 (# 1297:10 Unique 4.10, 4.38 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1479,1480,
&end
#
# 99 ARG HB+ 99 ARG HN 3.50 (# 1298:10 Unique 2.32, 2.60 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1500,1501,
&end
#
# 99 ARG HB- 99 ARG HN 3.50 (# 1299:10 Unique 2.32, 2.60 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1500,1501,
&end
#
# 99 ARG HG+ 99 ARG HN 4.50 (# 1300:10 Unique 1.99, 4.10 A)
&rst
ixpk= 1300, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1503,1504,
&end
#
# 99 ARG HG- 99 ARG HN 4.50 (# 1301:10 Unique 1.99, 4.10 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1503,1504,
&end
#
# 92 ALA MB 99 ARG HN 5.50 (# 1302:10 Unique 3.56, 4.95 A)
&rst
ixpk= 1302, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1390,1391,1392,
&end
#
# 102 VAL MG2 99 ARG HN 5.50 (# 1303:10 Unique 4.85, 5.74 A)
&rst
ixpk= 1303, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1564,1565,1566,
&end
#
# 98 TYR QD 99 ARG HN 5.50 (# 1308:10 Unique 4.46, 5.65 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1483,1492,
&end
#
# 17 ALA HA 20 LEU HN 5.50 (# 1309:10 Unique 3.43, 3.49 A)
&rst
ixpk= 1309, nxpk= 10, iat= 246, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HN 20 LEU HN 5.50 (# 1310:10 Unique 2.59, 2.62 A)
&rst
ixpk= 1310, nxpk= 10, iat= 298, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ALA HN 20 LEU HN 5.50 (# 1311:10 Unique 2.58, 2.63 A)
&rst
ixpk= 1311, nxpk= 10, iat= 269, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ALA HA 20 LEU HN 5.50 (# 1312:10 Unique 3.51, 3.53 A)
&rst
ixpk= 1312, nxpk= 10, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HA 20 LEU HN 4.50 (# 1313:10 Unique 2.86, 2.87 A)
&rst
ixpk= 1313, nxpk= 10, iat= 281, 279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1314 20 LEU HN 7.00 (# 1314:10 Single Ambig)
&rst
ixpk= 1314, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 302, 303, 331, 332,
&end
#
# 20 LEU HB+ 20 LEU HN 3.50 (# 1315:10 Unique 2.14, 2.67 A)
&rst
ixpk= 1315, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 283, 284,
&end
#
# 0 AMB 10-2:1316 20 LEU HN 5.50 (# 1316:10 Single Ambig)
&rst
ixpk= 1316, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 328, 329, 325, 326,1999,2000,
&end
#
# 19 ALA MB 20 LEU HN 4.50 (# 1317:10 Unique 2.61, 3.44 A)
&rst
ixpk= 1317, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 273, 274, 275,
&end
#
# 20 LEU HB- 20 LEU HN 4.50 (# 1318:10 Unique 2.14, 2.67 A)
&rst
ixpk= 1318, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 283, 284,
&end
#
# 20 LEU HG 20 LEU HN 4.50 (# 1319:10 Unique 2.64, 3.84 A)
&rst
ixpk= 1319, nxpk= 10, iat= 286, 279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 ALA HN 89 GLN HN 7.00 (# 1321:10 Unique 4.69, 4.74 A)
&rst
ixpk= 1321, nxpk= 10, iat=1386,1331, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 90 ILE HN 89 GLN HN 4.50 (# 1322:10 Unique 2.70, 2.73 A)
&rst
ixpk= 1322, nxpk= 10, iat=1348,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS HN 89 GLN HN 4.50 (# 1323:10 Unique 2.77, 2.81 A)
&rst
ixpk= 1323, nxpk= 10, iat=1309,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLN HA 89 GLN HN 5.50 (# 1324:10 Unique 3.23, 3.32 A)
&rst
ixpk= 1324, nxpk= 10, iat=1277,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HA 89 GLN HN 4.50 (# 1325:10 Unique 2.85, 2.85 A)
&rst
ixpk= 1325, nxpk= 10, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS HA 89 GLN HN 5.50 (# 1326:10 Unique 3.55, 3.56 A)
&rst
ixpk= 1326, nxpk= 10, iat=1311,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HG+ 89 GLN HN 4.50 (# 1327:10 Unique 2.38, 3.16 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1338,1339,
&end
#
# 89 GLN HG- 89 GLN HN 4.50 (# 1328:10 Unique 2.38, 3.16 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1338,1339,
&end
#
# 89 GLN HB- 89 GLN HN 3.50 (# 1329:10 Unique 2.34, 2.99 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1335,1336,
&end
#
# 0 AMB 10-2:1330 89 GLN HN 5.50 (# 1330:10 Single Ambig)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1358,1359,1352,1279,1280,1377,1378,
&end
#
# 88 LYS QD 89 GLN HN 5.50 (# 1331:10 Unique 4.35, 5.47 A)
&rst
ixpk= 1331, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 88 LYS HB- 89 GLN HN 4.50 (# 1332:10 Unique 2.55, 3.32 A)
&rst
ixpk= 1332, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,
&end
#
# 0 AMB 10-2:1333 89 GLN HN 5.50 (# 1333:10 Single Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1358,1359,1377,1378,
&end
#
# 104 THR MG2 89 GLN HN 7.00 (# 1334:10 Unique 6.30, 7.31 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1596,1597,1598,
&end
#
# 85 HIS HA 89 GLN HN 5.50 (# 1335:10 Unique 3.89, 4.01 A)
&rst
ixpk= 1335, nxpk= 10, iat=1260,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLU HN 136 GLU HN 5.50 (# 1338:10 Unique 2.66, 2.70 A)
&rst
ixpk= 1338, nxpk= 10, iat=2065,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 LEU HN 136 GLU HN 5.50 (# 1339:10 Unique 4.08, 4.12 A)
&rst
ixpk= 1339, nxpk= 10, iat=2114,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1340 136 GLU HN 3.50 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2082,2033,
&end
#
# 134 LEU HA 136 GLU HN 7.00 (# 1341:10 Unique 4.41, 4.43 A)
&rst
ixpk= 1341, nxpk= 10, iat=2048,2080, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 135 GLU HA 136 GLU HN 5.50 (# 1342:10 Unique 3.56, 3.57 A)
&rst
ixpk= 1342, nxpk= 10, iat=2067,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1343 136 GLU HN 3.50 (# 1343:10 Single Ambig)
&rst
ixpk= 1343, nxpk= 10, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2069,2070,2072,2073,
&end
#
# 136 GLU HG- 136 GLU HN 4.50 (# 1344:10 Unique 2.60, 4.25 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2087,2088,
&end
#
# 0 AMB 10-2:1345 136 GLU HN 5.50 (# 1345:10 Single Ambig)
&rst
ixpk= 1345, nxpk= 10, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 288, 289, 290, 286,
&end
#
# 0 AMB 10-2:1346 0 AMB 10-1:1346 5.50 (# 1346:10 Double Ambig)
&rst
ixpk= 1346, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 726,2021,
igr2= 751,2080,
&end
#
# 0 AMB 10-2:1347 0 AMB 10-1:1347 3.50 (# 1347:10 Double Ambig)
&rst
ixpk= 1347, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 755,2087,2088,
igr2= 751,2080,
&end
#
# 0 AMB 10-2:1348 0 AMB 10-1:1348 5.50 (# 1348:10 Double Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 918, 919,2099,2100,
igr2= 751,2080,
&end
#
# 0 AMB 10-2:1349 52 VAL HN 4.50 (# 1349:10 Single Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 767, 782,
&end
#
# 51 ALA HN 52 VAL HN 4.50 (# 1350:10 Unique 2.61, 2.63 A)
&rst
ixpk= 1350, nxpk= 10, iat= 741, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 ALA MB 52 VAL HN 4.50 (# 1351:10 Unique 2.40, 3.25 A)
&rst
ixpk= 1351, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 745, 746, 747,
&end
#
# 0 AMB 10-2:1352 0 AMB 10-1:1352 5.50 (# 1352:10 Double Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 702, 703, 704, 786, 787, 788, 445, 446,
igr2= 751, 380,
&end
#
# 0 AMB 10-2:1353 52 VAL HN 3.50 (# 1353:10 Single Ambig)
&rst
ixpk= 1353, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 757, 758, 759, 761, 762, 763,
&end
#
# 52 VAL HA 52 VAL HN 5.50 (# 1355:10 Unique 2.80, 2.81 A)
&rst
ixpk= 1355, nxpk= 10, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 VAL MG2 89 GLN HN 7.00 (# 1356:10 Unique 6.07, 7.57 A)
&rst
ixpk= 1356, nxpk= 10, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1564,1565,1566,
&end
#
# 0 AMB 10-2:1361 26 GLU HN 7.00 (# 1361:10 Single Ambig)
&rst
ixpk= 1361, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 445, 446,2197,2198,2199, 448,
&end
#
# 0 AMB 10-2:1362 0 AMB 10-1:1362 3.50 (# 1362:10 Double Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2084,2085, 384, 385,
igr2=2080, 380,
&end
#
# 0 AMB 10-2:1363 0 AMB 10-1:1363 5.50 (# 1363:10 Double Ambig)
&rst
ixpk= 1363, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 402, 403, 325, 326,1999,2000,
igr2= 380,2080,
&end
#
# 47 ALA MB 52 VAL HN 5.50 (# 1365:10 Unique 3.26, 4.30 A)
&rst
ixpk= 1365, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 690, 691, 692,
&end
#
# 25 ALA HN 26 GLU HN 4.50 (# 1366:10 Unique 2.66, 2.69 A)
&rst
ixpk= 1366, nxpk= 10, iat= 370, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 SER HA 26 GLU HN 5.50 (# 1367:10 Unique 3.43, 3.47 A)
&rst
ixpk= 1367, nxpk= 10, iat= 342, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLU HA 26 GLU HN 3.50 (# 1368:10 Unique 2.83, 2.84 A)
&rst
ixpk= 1368, nxpk= 10, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS HA 26 GLU HN 7.00 (# 1369:10 Unique 3.92, 4.01 A)
&rst
ixpk= 1369, nxpk= 10, iat= 320, 380, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1370 26 GLU HN 4.50 (# 1370:10 Single Ambig)
&rst
ixpk= 1370, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 372, 353,
&end
#
# 25 ALA MB 26 GLU HN 3.50 (# 1371:10 Unique 2.65, 3.48 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 374, 375, 376,
&end
#
# 14 SER HA 14 SER HN 7.00 (# 1372:10 Unique 2.64, 2.71 A)
&rst
ixpk= 1372, nxpk= 10, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 PRO HD- 14 SER HN 7.00 (# 1373:10 Unique 2.65, 3.13 A)
&rst
ixpk= 1373, nxpk= 10, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 214, 215,
&end
#
# 14 SER HB+ 14 SER HN 7.00 (# 1374:10 Unique 2.52, 3.12 A)
&rst
ixpk= 1374, nxpk= 10, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 206, 207,
&end
#
# 14 SER HA 14 SER HN 7.00 (# 1376:10 Unique 2.64, 2.71 A)
&rst
ixpk= 1376, nxpk= 10, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 PHE HA 98 TYR HN 7.00 (# 1377:10 Unique 4.73, 4.92 A)
&rst
ixpk= 1377, nxpk= 10, iat=1426,1475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 99 ARG HB- 98 TYR HN 5.50 (# 1378:10 Unique 4.29, 5.06 A)
&rst
ixpk= 1378, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1500,1501,
&end
#
# 100 ASP HN 98 TYR HN 7.00 (# 1379:10 Unique 5.16, 5.32 A)
&rst
ixpk= 1379, nxpk= 10, iat=1520,1475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 97 ARG HN 98 TYR HN 3.40 (# 1380:10 Unique 2.78, 2.94 A)
&rst
ixpk= 1380, nxpk= 10, iat=1451,1475, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 96 GLY HN 98 TYR HN 7.00 (# 1381:10 Unique 3.68, 4.10 A)
&rst
ixpk= 1381, nxpk= 10, iat=1444,1475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 99 ARG HN 98 TYR HN 3.50 (# 1382:10 Unique 3.14, 3.23 A)
&rst
ixpk= 1382, nxpk= 10, iat=1496,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 TYR QD 98 TYR HN 4.50 (# 1383:10 Unique 2.85, 3.83 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1483,1492,
&end
#
# 98 TYR HA 98 TYR HN 4.50 (# 1384:10 Unique 2.88, 2.94 A)
&rst
ixpk= 1384, nxpk= 10, iat=1477,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 ARG HA 98 TYR HN 4.50 (# 1386:10 Unique 2.68, 2.78 A)
&rst
ixpk= 1386, nxpk= 10, iat=1453,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1387 98 TYR HN 5.50 (# 1387:10 Single Ambig)
&rst
ixpk= 1387, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1498,
&end
#
# 0 AMB 10-2:1388 98 TYR HN 4.50 (# 1388:10 Single Ambig)
&rst
ixpk= 1388, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1479,1480,1428,1429,
&end
#
# 95 PHE HB- 98 TYR HN 5.50 (# 1389:10 Unique 2.79, 3.13 A)
&rst
ixpk= 1389, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1428,1429,
&end
#
# 98 TYR HB+ 98 TYR HN 4.50 (# 1390:10 Unique 2.40, 3.03 A)
&rst
ixpk= 1390, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1479,1480,
&end
#
# 0 AMB 10-2:1391 98 TYR HN 7.00 (# 1391:10 Single Ambig)
&rst
ixpk= 1391, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1503,1504,1371,
&end
#
# 0 AMB 10-2:1392 98 TYR HN 5.50 (# 1392:10 Single Ambig)
&rst
ixpk= 1392, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1109,1110,1111,1503,1504,
&end
#
# 97 ARG HB+ 98 TYR HN 5.50 (# 1393:10 Unique 4.17, 4.51 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1455,1456,
&end
#
# 97 ARG HG+ 98 TYR HN 5.50 (# 1394:10 Unique 4.71, 5.03 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1458,1459,
&end
#
# 0 AMB 10-2:1395 98 TYR HN 5.50 (# 1395:10 Single Ambig)
&rst
ixpk= 1395, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1458,1459,1373,1374,1375,
&end
#
# 15 PRO HD+ 14 SER HN 7.00 (# 1397:10 Unique 2.65, 3.13 A)
&rst
ixpk= 1397, nxpk= 10, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 214, 215,
&end
#
# 66 SER HN 67 SER HN 7.00 (# 1398:10 Unique 4.62, 4.63 A)
&rst
ixpk= 1398, nxpk= 10, iat= 980, 991, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 SER HA 67 SER HN 5.50 (# 1399:10 Unique 2.87, 2.90 A)
&rst
ixpk= 1399, nxpk= 10, iat= 993, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HA 67 SER HN 3.50 (# 1401:10 Unique 2.35, 2.40 A)
&rst
ixpk= 1401, nxpk= 10, iat= 982, 991, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 SER HB+ 67 SER HN 4.50 (# 1402:10 Unique 2.76, 3.40 A)
&rst
ixpk= 1402, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 995, 996,
&end
#
# 67 SER HB- 67 SER HN 4.50 (# 1403:10 Unique 2.76, 3.40 A)
&rst
ixpk= 1403, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 995, 996,
&end
#
# 66 SER HB- 67 SER HN 5.50 (# 1404:10 Unique 2.38, 3.07 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 985,
&end
#
# 0 AMB 10-2:1405 67 SER HN 7.00 (# 1405:10 Single Ambig)
&rst
ixpk= 1405, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1003,1004, 214, 215,
&end
#
# 10 ASN HB+ 67 SER HN 5.50 (# 1406:10 Unique 3.64, 3.93 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 37 ALA HA 67 SER HN 5.50 (# 1407:10 Unique 2.97, 3.28 A)
&rst
ixpk= 1407, nxpk= 10, iat= 557, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1408 67 SER HN 5.50 (# 1408:10 Single Ambig)
&rst
ixpk= 1408, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 612, 613, 614, 559, 560, 561,
&end
#
# 66 SER HN 67 SER HN 7.00 (# 1409:10 Unique 4.62, 4.63 A)
&rst
ixpk= 1409, nxpk= 10, iat= 980, 991, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 10 ASN HB- 67 SER HN 7.00 (# 1411:10 Unique 3.64, 3.93 A)
&rst
ixpk= 1411, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 143, 144,
&end
#
# 49 PRO QG 48 THR HN 7.00 (# 1412:10 Unique 6.41, 6.94 A)
&rst
ixpk= 1412, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 714, 715,
&end
#
# 0 AMB 10-2:1414 48 THR HN 5.50 (# 1414:10 Single Ambig)
&rst
ixpk= 1414, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 157, 720,
&end
#
# 0 AMB 10-2:1415 48 THR HN 5.50 (# 1415:10 Single Ambig)
&rst
ixpk= 1415, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 155, 726,
&end
#
# 0 AMB 10-2:1416 48 THR HN 4.50 (# 1416:10 Single Ambig)
&rst
ixpk= 1416, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 698, 700,
&end
#
# 49 PRO HD3 48 THR HN 7.00 (# 1417:10 Unique 4.87, 4.92 A)
&rst
ixpk= 1417, nxpk= 10, iat= 712, 696, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 51 ALA MB 48 THR HN 5.50 (# 1418:10 Unique 2.42, 3.38 A)
&rst
ixpk= 1418, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 745, 746, 747,
&end
#
# 48 THR MG2 48 THR HN 4.50 (# 1419:10 Unique 2.00, 3.04 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 702, 703, 704,
&end
#
# 47 ALA MB 48 THR HN 4.50 (# 1420:10 Unique 1.97, 3.52 A)
&rst
ixpk= 1420, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 690, 691, 692,
&end
#
# 0 AMB 10-2:1421 48 THR HN 5.50 (# 1421:10 Single Ambig)
&rst
ixpk= 1421, nxpk= 10, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 159, 160, 161, 761, 762, 763,
&end
#
# 107 GLU HB- 112 SER HN 5.50 (# 1431:10 Unique 4.23, 5.03 A)
&rst
ixpk= 1431, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1649,1650,
&end
#
# 106 LYS HB+ 112 SER HN 4.50 (# 1432:10 Unique 3.38, 4.25 A)
&rst
ixpk= 1432, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1627,1628,
&end
#
# 44 ASN HB+ 44 ASN HN 4.00 (# 1434:10 Unique 2.92, 3.31 A)
&rst
ixpk= 1434, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 647, 648,
&end
#
# 0 AMB 10-2:1436 44 ASN HN 2.80 (# 1436:10 Single Ambig)
&rst
ixpk= 1436, nxpk= 10, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 645, 639,
&end
#
# 110 THR HN 112 SER HN 3.80 (# 1440:10 Unique 3.52, 3.72 A)
&rst
ixpk= 1440, nxpk= 10, iat=1697,1718, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 107 GLU HA 112 SER HN 2.60 (# 1442:10 Unique 2.33, 2.53 A)
&rst
ixpk= 1442, nxpk= 10, iat=1647,1718, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 112 SER HB+ 112 SER HN 3.80 (# 1443:10 Unique 2.52, 3.27 A)
&rst
ixpk= 1443, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1722,1723,
&end
#
# 112 SER HB- 112 SER HN 3.50 (# 1444:10 Unique 2.52, 3.27 A)
&rst
ixpk= 1444, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1722,1723,
&end
#
# 0 AMB 10-2:1445 112 SER HN 5.50 (# 1445:10 Single Ambig)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1703,1704,1705,1630,1631,
&end
#
# 111 GLY HN 112 SER HN 2.80 (# 1446:10 Unique 2.53, 2.76 A)
&rst
ixpk= 1446, nxpk= 10, iat=1711,1718, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1447 112 SER HN 3.50 (# 1447:10 Single Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1720,1699,
&end
#
# 110 THR HB 112 SER HN 3.80 (# 1448:10 Unique 3.37, 3.93 A)
&rst
ixpk= 1448, nxpk= 10, iat=1701,1718, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 107 GLU HB+ 112 SER HN 5.50 (# 1450:10 Unique 4.23, 5.03 A)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1649,1650,
&end
#
# 98 TYR QD 101 LYS HN 7.00 (# 1453:10 Unique 6.60, 7.17 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1483,1492,
&end
#
# 101 LYS HE+ 101 LYS HN 7.00 (# 1454:10 Unique 4.27, 4.75 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1545,1546,
&end
#
# 100 ASP HN 101 LYS HN 4.50 (# 1455:10 Unique 2.84, 2.92 A)
&rst
ixpk= 1455, nxpk= 10, iat=1520,1532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1456 101 LYS HN 5.50 (# 1456:10 Single Ambig)
&rst
ixpk= 1456, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1496,1580,1584,
&end
#
# 102 VAL HN 101 LYS HN 3.50 (# 1457:10 Unique 2.47, 2.59 A)
&rst
ixpk= 1457, nxpk= 10, iat=1554,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 TYR HA 101 LYS HN 5.50 (# 1458:10 Unique 4.41, 4.89 A)
&rst
ixpk= 1458, nxpk= 10, iat=1477,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LYS HA 101 LYS HN 4.50 (# 1459:10 Unique 2.89, 2.93 A)
&rst
ixpk= 1459, nxpk= 10, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ASP HA 101 LYS HN 5.50 (# 1460:10 Unique 3.52, 3.57 A)
&rst
ixpk= 1460, nxpk= 10, iat=1522,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HA 101 LYS HN 5.50 (# 1461:10 Unique 3.67, 3.90 A)
&rst
ixpk= 1461, nxpk= 10, iat=1498,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP HB+ 101 LYS HN 5.50 (# 1462:10 Unique 2.79, 3.50 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1524,1525,
&end
#
# 100 ASP HB- 101 LYS HN 5.50 (# 1463:10 Unique 2.79, 3.50 A)
&rst
ixpk= 1463, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1524,1525,
&end
#
# 101 LYS HB+ 101 LYS HN 3.50 (# 1464:10 Unique 2.28, 3.14 A)
&rst
ixpk= 1464, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1536,1537,
&end
#
# 101 LYS HG+ 101 LYS HN 3.80 (# 1465:10 Unique 2.17, 2.95 A)
&rst
ixpk= 1465, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1539,1540,
&end
#
# 102 VAL MG2 101 LYS HN 4.50 (# 1466:10 Unique 3.57, 4.85 A)
&rst
ixpk= 1466, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1564,1565,1566,
&end
#
# 80 VAL MG2 101 LYS HN 7.00 (# 1467:10 Unique 5.19, 6.21 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1192,1193,1194,
&end
#
# 0 AMB 10-2:1469 74 MET HN 7.00 (# 1469:10 Single Ambig)
&rst
ixpk= 1469, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1081,1134,1135,
&end
#
# 0 AMB 10-2:1470 74 MET HN 5.50 (# 1470:10 Single Ambig)
&rst
ixpk= 1470, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1119,1120,1068,1069,
&end
#
# 69 LEU MD1 74 MET HN 5.50 (# 1471:10 Unique 3.31, 3.99 A)
&rst
ixpk= 1471, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1025,1026,1027,
&end
#
# 72 GLU HN 74 MET HN 7.00 (# 1472:10 Unique 4.00, 4.05 A)
&rst
ixpk= 1472, nxpk= 10, iat=1064,1098, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 75 GLU HN 74 MET HN 5.50 (# 1473:10 Unique 2.75, 2.79 A)
&rst
ixpk= 1473, nxpk= 10, iat=1115,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HN 74 MET HN 7.00 (# 1474:10 Unique 3.94, 4.07 A)
&rst
ixpk= 1474, nxpk= 10, iat=1035,1098, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 72 GLU HA 74 MET HN 7.00 (# 1475:10 Unique 4.40, 4.42 A)
&rst
ixpk= 1475, nxpk= 10, iat=1066,1098, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 74 MET HA 74 MET HN 4.50 (# 1476:10 Unique 2.81, 2.82 A)
&rst
ixpk= 1476, nxpk= 10, iat=1100,1098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLU HA 74 MET HN 5.50 (# 1477:10 Unique 3.18, 3.22 A)
&rst
ixpk= 1477, nxpk= 10, iat=1051,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1478 74 MET HN 7.00 (# 1478:10 Single Ambig)
&rst
ixpk= 1478, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1117,1428,1429,
&end
#
# 75 GLU HB- 74 MET HN 7.00 (# 1479:10 Unique 4.79, 5.58 A)
&rst
ixpk= 1479, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1119,1120,
&end
#
# 0 AMB 10-2:1480 74 MET HN 3.50 (# 1480:10 Single Ambig)
&rst
ixpk= 1480, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1083,1084,1105,1106,
&end
#
# 0 AMB 10-2:1481 74 MET HN 4.50 (# 1481:10 Single Ambig)
&rst
ixpk= 1481, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1083,1084,1105,1106,
&end
#
# 74 MET HB+ 74 MET HN 4.50 (# 1482:10 Unique 2.03, 2.61 A)
&rst
ixpk= 1482, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1102,1103,
&end
#
# 0 AMB 10-2:1483 74 MET HN 5.50 (# 1483:10 Single Ambig)
&rst
ixpk= 1483, nxpk= 10, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1092,1093,1094,1020,1021,
&end
#
# 29 GLY HN 28 GLU HN 4.50 (# 1484:10 Unique 2.52, 2.57 A)
&rst
ixpk= 1484, nxpk= 10, iat= 434, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LYS HE- 101 LYS HN 7.00 (# 1485:10 Unique 4.27, 4.75 A)
&rst
ixpk= 1485, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1545,1546,
&end
#
# 98 TYR HB- 101 LYS HN 7.00 (# 1487:10 Unique 4.26, 5.20 A)
&rst
ixpk= 1487, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1479,1480,
&end
#
# 101 LYS HB- 101 LYS HN 4.50 (# 1488:10 Unique 2.28, 3.14 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1536,1537,
&end
#
# 101 LYS HG- 101 LYS HN 4.50 (# 1489:10 Unique 2.17, 2.95 A)
&rst
ixpk= 1489, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1539,1540,
&end
#
# 27 ARG HN 28 GLU HN 3.50 (# 1490:10 Unique 2.57, 2.65 A)
&rst
ixpk= 1490, nxpk= 10, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 GLU HA 28 GLU HN 4.50 (# 1491:10 Unique 2.88, 2.90 A)
&rst
ixpk= 1491, nxpk= 10, iat= 421, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1492 28 GLU HN 4.50 (# 1492:10 Single Ambig)
&rst
ixpk= 1492, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 397, 382,
&end
#
# 0 AMB 10-2:1495 28 GLU HN 5.50 (# 1495:10 Single Ambig)
&rst
ixpk= 1495, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 372, 353,
&end
#
# 28 GLU HG+ 28 GLU HN 4.50 (# 1496:10 Unique 2.50, 3.59 A)
&rst
ixpk= 1496, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 426, 427,
&end
#
# 0 AMB 10-2:1497 28 GLU HN 3.50 (# 1497:10 Single Ambig)
&rst
ixpk= 1497, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 423, 424, 426, 427,
&end
#
# 27 ARG HB+ 28 GLU HN 3.50 (# 1498:10 Unique 2.55, 3.46 A)
&rst
ixpk= 1498, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 399, 400,
&end
#
# 0 AMB 10-2:1499 28 GLU HN 3.50 (# 1499:10 Single Ambig)
&rst
ixpk= 1499, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 423, 424, 402, 403,
&end
#
# 0 AMB 10-2:1500 28 GLU HN 5.50 (# 1500:10 Single Ambig)
&rst
ixpk= 1500, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446,2197,2198,2199, 448,
&end
#
# 0 AMB 10-2:1501 28 GLU HN 5.50 (# 1501:10 Single Ambig)
&rst
ixpk= 1501, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 357, 358, 359, 450, 451, 452,
&end
#
# 0 AMB 10-2:1502 0 AMB 10-1:1502 5.50 (# 1502:10 Double Ambig)
&rst
ixpk= 1502, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1134,1135,1134,1135,
igr2= 499, 500, 499, 500,
&end
#
# 35 ARG HB+ 33 ASN HD2+ 5.50 (# 1503:10 Unique 2.61, 5.48 A)
&rst
ixpk= 1503, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 524, 525,
igr2= 499, 500,
&end
#
# 77 ALA MB 33 ASN HD2+ 7.00 (# 1504:10 Unique 5.34, 7.08 A)
&rst
ixpk= 1504, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1145,1146,1147,
igr2= 499, 500,
&end
#
# 33 ASN HN 33 ASN HD2+ 5.50 (# 1506:10 Unique 4.57, 5.34 A)
&rst
ixpk= 1506, nxpk= 10, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 499, 500,
&end
#
# 2 ASP HA 33 ASN HD2+ 7.00 (# 1508:10 Unique 3.57, 4.73 A)
&rst
ixpk= 1508, nxpk= 10, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 499, 500,
&end
#
# 0 AMB 10-2:1509 0 AMB 10-1:1509 5.50 (# 1509:10 Double Ambig)
&rst
ixpk= 1509, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 506, 492,
igr2= 499, 500, 499, 500,
&end
#
# 33 ASN HB+ 33 ASN HD2+ 3.50 (# 1511:10 Unique 2.22, 3.31 A)
&rst
ixpk= 1511, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 494, 495,
igr2= 499, 500,
&end
#
# 142 ALA HN 143 LYS HN 4.50 (# 1512:10 Unique 2.63, 2.69 A)
&rst
ixpk= 1512, nxpk= 10, iat=2193,2203, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 GLN HN 143 LYS HN 3.50 (# 1513:10 Unique 2.61, 2.72 A)
&rst
ixpk= 1513, nxpk= 10, iat=2225,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 LEU HA 143 LYS HN 7.00 (# 1514:10 Unique 4.43, 4.45 A)
&rst
ixpk= 1514, nxpk= 10, iat=2176,2203, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1515 143 LYS HN 4.50 (# 1515:10 Single Ambig)
&rst
ixpk= 1515, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2159,2135,
&end
#
# 0 AMB 10-2:1516 143 LYS HN 5.50 (# 1516:10 Single Ambig)
&rst
ixpk= 1516, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2195,2227,
&end
#
# 143 LYS HA 143 LYS HN 3.50 (# 1517:10 Unique 2.84, 2.87 A)
&rst
ixpk= 1517, nxpk= 10, iat=2205,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1518 143 LYS HN 5.50 (# 1518:10 Single Ambig)
&rst
ixpk= 1518, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2229,2230,2232,2233,
&end
#
# 0 AMB 10-2:1519 143 LYS HN 7.00 (# 1519:10 Single Ambig)
&rst
ixpk= 1519, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2178,2179,2161,2162,
&end
#
# 0 AMB 10-2:1520 143 LYS HN 5.50 (# 1520:10 Single Ambig)
&rst
ixpk= 1520, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 426, 427,2161,2162, 423, 424,
&end
#
# 143 LYS HB- 143 LYS HN 3.50 (# 1521:10 Unique 2.21, 3.00 A)
&rst
ixpk= 1521, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2207,2208,
&end
#
# 143 LYS HG+ 143 LYS HN 4.50 (# 1522:10 Unique 2.39, 3.38 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2210,2211,
&end
#
# 0 AMB 10-2:1523 143 LYS HN 3.50 (# 1523:10 Single Ambig)
&rst
ixpk= 1523, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2210,2211,2197,2198,2199,
&end
#
# 0 AMB 10-2:1524 143 LYS HN 5.50 (# 1524:10 Single Ambig)
&rst
ixpk= 1524, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 450, 451, 452, 357, 358, 359,2251,2252,2253,2183,
2184,2185, 364, 365, 366,
&end
#
# 3 ILE HN 33 ASN HD2- 7.00 (# 1529:10 Unique 3.85, 5.08 A)
&rst
ixpk= 1529, nxpk= 10, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 499, 500,
&end
#
# 2 ASP HA 33 ASN HD2- 7.00 (# 1531:10 Unique 3.57, 4.73 A)
&rst
ixpk= 1531, nxpk= 10, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 499, 500,
&end
#
# 0 AMB 10-2:1532 33 ASN HD2- 7.00 (# 1532:10 Single Ambig)
&rst
ixpk= 1532, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 506, 492,
igr2= 499, 500,
&end
#
# 33 ASN HB+ 33 ASN HD2- 4.50 (# 1534:10 Unique 2.22, 3.31 A)
&rst
ixpk= 1534, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 494, 495,
igr2= 499, 500,
&end
#
# 0 AMB 10-2:1541 58 LYS HN 7.00 (# 1541:10 Single Ambig)
&rst
ixpk= 1541, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 811, 782,
&end
#
# 59 HIS HN 58 LYS HN 3.50 (# 1542:10 Unique 2.60, 2.70 A)
&rst
ixpk= 1542, nxpk= 10, iat= 868, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1543 58 LYS HN 4.50 (# 1543:10 Single Ambig)
&rst
ixpk= 1543, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 848, 813,
&end
#
# 57 GLU HA 58 LYS HN 4.50 (# 1544:10 Unique 3.60, 3.63 A)
&rst
ixpk= 1544, nxpk= 10, iat= 833, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLU HG- 58 LYS HN 7.00 (# 1545:10 Unique 3.96, 4.67 A)
&rst
ixpk= 1545, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 838, 839,
&end
#
# 58 LYS HG- 58 LYS HN 5.50 (# 1546:10 Unique 4.37, 4.52 A)
&rst
ixpk= 1546, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 853, 854,
&end
#
# 60 ILE QD1 58 LYS HN 5.50 (# 1547:10 Unique 4.94, 6.17 A)
&rst
ixpk= 1547, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 898, 899, 900,
&end
#
# 57 GLU HN 58 LYS HN 4.50 (# 1548:10 Unique 2.70, 2.73 A)
&rst
ixpk= 1548, nxpk= 10, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 LEU HA 58 LYS HN 5.50 (# 1550:10 Unique 2.73, 2.82 A)
&rst
ixpk= 1550, nxpk= 10, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HG+ 58 LYS HN 7.00 (# 1551:10 Unique 3.96, 4.67 A)
&rst
ixpk= 1551, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 838, 839,
&end
#
# 58 LYS HB+ 58 LYS HN 4.50 (# 1552:10 Unique 2.38, 2.57 A)
&rst
ixpk= 1552, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 57 GLU HB+ 58 LYS HN 5.50 (# 1553:10 Unique 2.66, 3.33 A)
&rst
ixpk= 1553, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 835, 836,
&end
#
# 57 GLU HB- 58 LYS HN 5.50 (# 1554:10 Unique 2.66, 3.33 A)
&rst
ixpk= 1554, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 835, 836,
&end
#
# 0 AMB 10-2:1555 58 LYS HN 7.00 (# 1555:10 Single Ambig)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 796, 797, 799,
&end
#
# 58 LYS HB- 58 LYS HN 4.50 (# 1556:10 Unique 2.38, 2.57 A)
&rst
ixpk= 1556, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:1557 58 LYS HN 5.50 (# 1557:10 Single Ambig)
&rst
ixpk= 1557, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 853, 854, 786, 787, 788,
&end
#
# 15 PRO HD- 16 MET HN 5.50 (# 1558:10 Unique 2.66, 3.43 A)
&rst
ixpk= 1558, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 214, 215,
&end
#
# 0 AMB 10-2:1561 16 MET HN 5.50 (# 1561:10 Single Ambig)
&rst
ixpk= 1561, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 238, 239, 240, 261, 262,
&end
#
# 15 PRO HB+ 16 MET HN 5.50 (# 1562:10 Unique 2.97, 3.99 A)
&rst
ixpk= 1562, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 221,
&end
#
# 16 MET HA 16 MET HN 4.50 (# 1563:10 Unique 2.87, 2.88 A)
&rst
ixpk= 1563, nxpk= 10, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 PHE HD2 70 THR HN 7.00 (# 1565:10 Unique 7.01, 7.02 A)
&rst
ixpk= 1565, nxpk= 10, iat=1440,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 THR HB 70 THR HN 5.50 (# 1568:10 Unique 3.65, 3.67 A)
&rst
ixpk= 1568, nxpk= 10, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HA 70 THR HN 3.50 (# 1569:10 Unique 2.13, 2.17 A)
&rst
ixpk= 1569, nxpk= 10, iat=1018,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1570 70 THR HN 7.00 (# 1570:10 Single Ambig)
&rst
ixpk= 1570, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1006,1007,1068,1069,
&end
#
# 73 LEU HB+ 70 THR HN 3.50 (# 1571:10 Unique 2.57, 3.14 A)
&rst
ixpk= 1571, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1083,1084,
&end
#
# 0 AMB 10-2:1572 70 THR HN 3.50 (# 1572:10 Single Ambig)
&rst
ixpk= 1572, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1092,1093,1094,1020,1021,
&end
#
# 73 LEU MD1 70 THR HN 5.50 (# 1573:10 Unique 5.74, 6.24 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 69 LEU MD1 70 THR HN 4.50 (# 1574:10 Unique 2.40, 3.48 A)
&rst
ixpk= 1574, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1025,1026,1027,
&end
#
# 72 GLU HN 70 THR HN 7.00 (# 1575:10 Unique 4.97, 5.02 A)
&rst
ixpk= 1575, nxpk= 10, iat=1064,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 69 LEU HN 70 THR HN 7.00 (# 1576:10 Unique 4.36, 4.38 A)
&rst
ixpk= 1576, nxpk= 10, iat=1016,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1577 70 THR HN 5.50 (# 1577:10 Single Ambig)
&rst
ixpk= 1577, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1079,1098,
&end
#
# 69 LEU HB+ 70 THR HN 5.50 (# 1578:10 Unique 4.38, 4.43 A)
&rst
ixpk= 1578, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1020,1021,
&end
#
# 70 THR MG2 70 THR HN 4.50 (# 1579:10 Unique 3.29, 4.07 A)
&rst
ixpk= 1579, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1041,1042,1043,
&end
#
# 0 AMB 10-2:1580 70 THR HN 4.50 (# 1580:10 Single Ambig)
&rst
ixpk= 1580, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1083,1084,1023,
&end
#
# 107 GLU HN 104 THR HN 7.00 (# 1582:10 Unique 3.84, 4.09 A)
&rst
ixpk= 1582, nxpk= 10, iat=1645,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 107 GLU HG- 104 THR HN 4.50 (# 1584:10 Unique 3.45, 3.96 A)
&rst
ixpk= 1584, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1652,1653,
&end
#
# 107 GLU HB- 104 THR HN 7.00 (# 1585:10 Unique 2.02, 2.79 A)
&rst
ixpk= 1585, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1649,1650,
&end
#
# 88 LYS QD 104 THR HN 5.50 (# 1586:10 Unique 3.16, 4.20 A)
&rst
ixpk= 1586, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 0 AMB 10-2:1587 104 THR HN 5.50 (# 1587:10 Single Ambig)
&rst
ixpk= 1587, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1578,1586,1271,
&end
#
# 104 THR HA 104 THR HN 5.50 (# 1588:10 Unique 2.91, 2.92 A)
&rst
ixpk= 1588, nxpk= 10, iat=1592,1590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE HA 104 THR HN 4.50 (# 1589:10 Unique 2.25, 2.30 A)
&rst
ixpk= 1589, nxpk= 10, iat=1572,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE HB+ 104 THR HN 5.50 (# 1590:10 Unique 2.51, 3.35 A)
&rst
ixpk= 1590, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 107 GLU HG+ 104 THR HN 4.50 (# 1591:10 Unique 3.45, 3.96 A)
&rst
ixpk= 1591, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1652,1653,
&end
#
# 103 PHE HB- 104 THR HN 5.50 (# 1592:10 Unique 2.51, 3.35 A)
&rst
ixpk= 1592, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 104 THR MG2 104 THR HN 4.50 (# 1593:10 Unique 4.29, 4.53 A)
&rst
ixpk= 1593, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1596,1597,1598,
&end
#
# 81 LEU HG 104 THR HN 7.00 (# 1594:10 Unique 5.78, 5.88 A)
&rst
ixpk= 1594, nxpk= 10, iat=1205,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1595 104 THR HN 7.00 (# 1595:10 Single Ambig)
&rst
ixpk= 1595, nxpk= 10, iat= -1,1590, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1313,1314,1221,1222,1223,
&end
#
# 105 LEU HN 106 LYS HN 5.50 (# 1597:10 Unique 3.10, 3.20 A)
&rst
ixpk= 1597, nxpk= 10, iat=1604,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HN 106 LYS HN 5.50 (# 1598:10 Unique 2.37, 2.52 A)
&rst
ixpk= 1598, nxpk= 10, iat=1645,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HA 106 LYS HN 7.00 (# 1599:10 Unique 4.58, 4.88 A)
&rst
ixpk= 1599, nxpk= 10, iat=1592,1623, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 LEU HA 106 LYS HN 5.50 (# 1601:10 Unique 3.55, 3.61 A)
&rst
ixpk= 1601, nxpk= 10, iat=1606,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HA 106 LYS HN 5.50 (# 1602:10 Unique 2.91, 2.95 A)
&rst
ixpk= 1602, nxpk= 10, iat=1625,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HB+ 106 LYS HN 3.50 (# 1603:10 Unique 2.37, 3.05 A)
&rst
ixpk= 1603, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1627,1628,
&end
#
# 106 LYS HD- 106 LYS HN 5.50 (# 1604:10 Unique 3.87, 4.57 A)
&rst
ixpk= 1604, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1633,1634,
&end
#
# 106 LYS HD+ 106 LYS HN 5.50 (# 1605:10 Unique 3.87, 4.57 A)
&rst
ixpk= 1605, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1633,1634,
&end
#
# 106 LYS HG+ 106 LYS HN 4.50 (# 1606:10 Unique 2.43, 3.21 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1630,1631,
&end
#
# 105 LEU MD1 106 LYS HN 5.50 (# 1607:10 Unique 4.95, 5.57 A)
&rst
ixpk= 1607, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1613,1614,1615,
&end
#
# 105 LEU HG 106 LYS HN 5.50 (# 1608:10 Unique 3.48, 3.81 A)
&rst
ixpk= 1608, nxpk= 10, iat=1611,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR MG2 106 LYS HN 7.00 (# 1609:10 Unique 2.99, 4.32 A)
&rst
ixpk= 1609, nxpk= 10, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1596,1597,1598,
&end
#
# 35 ARG HD- 36 SER HN 7.00 (# 1610:10 Unique 4.00, 5.29 A)
&rst
ixpk= 1610, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 530, 531,
&end
#
# 126 ILE HB 123 SER HN 5.50 (# 1611:10 Unique 3.18, 3.28 A)
&rst
ixpk= 1611, nxpk= 10, iat=1906,1860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASN HA 44 ASN HD2+ 7.00 (# 1614:10 Unique 2.46, 4.53 A)
&rst
ixpk= 1614, nxpk= 10, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 652, 653,
&end
#
# 44 ASN HB+ 44 ASN HD2+ 5.50 (# 1615:10 Unique 2.27, 3.27 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 647, 648,
igr2= 652, 653,
&end
#
# 44 ASN HB- 44 ASN HD2+ 4.50 (# 1616:10 Unique 2.27, 3.27 A)
&rst
ixpk= 1616, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 647, 648,
igr2= 652, 653,
&end
#
# 44 ASN HA 44 ASN HD2- 7.00 (# 1617:10 Unique 2.46, 4.53 A)
&rst
ixpk= 1617, nxpk= 10, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 652, 653,
&end
#
# 44 ASN HB+ 44 ASN HD2- 7.00 (# 1618:10 Unique 2.27, 3.27 A)
&rst
ixpk= 1618, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 647, 648,
igr2= 652, 653,
&end
#
# 0 AMB 10-2:1619 0 AMB 10-1:1619 7.00 (# 1619:10 Double Ambig)
&rst
ixpk= 1619, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 636, 637, 918, 919,
igr2= 652, 653, 942, 943,
&end
#
# 35 ARG HN 36 SER HN 5.50 (# 1620:10 Unique 4.33, 4.36 A)
&rst
ixpk= 1620, nxpk= 10, iat= 520, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER HA 36 SER HN 5.50 (# 1621:10 Unique 2.91, 2.94 A)
&rst
ixpk= 1621, nxpk= 10, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG HA 36 SER HN 3.50 (# 1622:10 Unique 2.35, 2.44 A)
&rst
ixpk= 1622, nxpk= 10, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ILE QG2 36 SER HN 5.50 (# 1623:10 Unique 3.93, 5.25 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 58, 59, 60,
&end
#
# 36 SER HB- 36 SER HN 7.00 (# 1624:10 Unique 2.51, 3.37 A)
&rst
ixpk= 1624, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 548, 549,
&end
#
# 126 ILE HN 123 SER HN 7.00 (# 1625:10 Unique 3.37, 3.44 A)
&rst
ixpk= 1625, nxpk= 10, iat=1902,1860, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 123 SER HB+ 123 SER HN 4.50 (# 1627:10 Unique 2.78, 3.17 A)
&rst
ixpk= 1627, nxpk= 10, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 123 SER HB- 123 SER HN 4.50 (# 1628:10 Unique 2.78, 3.17 A)
&rst
ixpk= 1628, nxpk= 10, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 126 ILE HG1- 123 SER HN 5.50 (# 1629:10 Unique 2.04, 2.40 A)
&rst
ixpk= 1629, nxpk= 10, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1912,1913,
&end
#
# 126 ILE HG1+ 123 SER HN 5.50 (# 1630:10 Unique 2.04, 2.40 A)
&rst
ixpk= 1630, nxpk= 10, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1912,1913,
&end
#
# 126 ILE QG2 123 SER HN 5.50 (# 1631:10 Unique 4.52, 5.19 A)
&rst
ixpk= 1631, nxpk= 10, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1908,1909,1910,
&end
#
# 122 GLY HN 123 SER HN 5.50 (# 1632:10 Unique 4.55, 4.56 A)
&rst
ixpk= 1632, nxpk= 10, iat=1853,1860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 SER HA 123 SER HN 4.50 (# 1633:10 Unique 2.91, 2.92 A)
&rst
ixpk= 1633, nxpk= 10, iat=1862,1860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 ILE QD1 123 SER HN 5.50 (# 1636:10 Unique 3.82, 4.47 A)
&rst
ixpk= 1636, nxpk= 10, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1915,1916,1917,
&end
#
# 0 AMB 10-2:1643 0 AMB 10-1:1643 5.50 (# 1643:10 Double Ambig)
&rst
ixpk= 1643, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 647, 648, 937, 938,
igr2= 652, 653, 942, 943,
&end
#
# 56 PHE QE 59 HIS HN 7.00 (# 1645:10 Unique 6.28, 6.93 A)
&rst
ixpk= 1645, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 821, 825,
&end
#
# 58 LYS HB- 59 HIS HN 5.50 (# 1646:10 Unique 3.45, 3.87 A)
&rst
ixpk= 1646, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 850, 851,
&end
#
# 58 LYS HG+ 59 HIS HN 7.00 (# 1648:10 Unique 4.67, 4.94 A)
&rst
ixpk= 1648, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 853, 854,
&end
#
# 63 ASN HB+ 63 ASN HD2+ 5.50 (# 1651:10 Unique 2.30, 3.45 A)
&rst
ixpk= 1651, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 937, 938,
igr2= 942, 943,
&end
#
# 63 ASN HB- 63 ASN HD2+ 5.50 (# 1652:10 Unique 2.30, 3.45 A)
&rst
ixpk= 1652, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 937, 938,
igr2= 942, 943,
&end
#
# 61 ALA MB 63 ASN HD2+ 7.00 (# 1653:10 Unique 2.55, 5.17 A)
&rst
ixpk= 1653, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 908, 909, 910,
igr2= 942, 943,
&end
#
# 63 ASN HB- 63 ASN HD2- 5.50 (# 1661:10 Unique 2.30, 3.45 A)
&rst
ixpk= 1661, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 937, 938,
igr2= 942, 943,
&end
#
# 61 ALA MB 63 ASN HD2- 5.50 (# 1662:10 Unique 2.55, 5.17 A)
&rst
ixpk= 1662, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 908, 909, 910,
igr2= 942, 943,
&end
#
# 58 LYS HB+ 59 HIS HN 7.00 (# 1663:10 Unique 3.45, 3.87 A)
&rst
ixpk= 1663, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:1664 59 HIS HN 5.50 (# 1664:10 Single Ambig)
&rst
ixpk= 1664, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 895, 896, 889,
&end
#
# 58 LYS HN 59 HIS HN 4.50 (# 1665:10 Unique 2.60, 2.70 A)
&rst
ixpk= 1665, nxpk= 10, iat= 846, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1666 59 HIS HN 4.50 (# 1666:10 Single Ambig)
&rst
ixpk= 1666, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 813, 848,
&end
#
# 59 HIS HA 59 HIS HN 3.50 (# 1667:10 Unique 2.19, 2.20 A)
&rst
ixpk= 1667, nxpk= 10, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 HIS HB+ 59 HIS HN 4.00 (# 1668:10 Unique 3.10, 3.60 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 872, 873,
&end
#
# 59 HIS HB- 59 HIS HN 4.00 (# 1669:10 Unique 3.10, 3.60 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 872, 873,
&end
#
# 58 LYS HG- 59 HIS HN 7.00 (# 1670:10 Unique 4.67, 4.94 A)
&rst
ixpk= 1670, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 853, 854,
&end
#
# 31 ASN HB+ 31 ASN HD2+ 5.50 (# 1677:10 Unique 2.26, 3.30 A)
&rst
ixpk= 1677, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 464, 465,
igr2= 469, 470,
&end
#
# 31 ASN HB- 31 ASN HD2+ 5.50 (# 1678:10 Unique 2.26, 3.30 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 464, 465,
igr2= 469, 470,
&end
#
# 31 ASN HB+ 31 ASN HD2- 5.50 (# 1682:10 Unique 2.26, 3.30 A)
&rst
ixpk= 1682, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 464, 465,
igr2= 469, 470,
&end
#
# 31 ASN HB- 31 ASN HD2- 7.00 (# 1683:10 Unique 2.26, 3.30 A)
&rst
ixpk= 1683, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 464, 465,
igr2= 469, 470,
&end
#
# 86 GLN HG+ 86 GLN HE2+ 5.50 (# 1687:10 Unique 2.24, 3.39 A)
&rst
ixpk= 1687, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1282,1283,
igr2=1287,1288,
&end
#
# 86 GLN HG- 86 GLN HE2+ 7.00 (# 1688:10 Unique 2.24, 3.39 A)
&rst
ixpk= 1688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1282,1283,
igr2=1287,1288,
&end
#
# 90 ILE QD1 86 GLN HE2+ 7.00 (# 1689:10 Unique 2.83, 4.77 A)
&rst
ixpk= 1689, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1361,1362,1363,
igr2=1287,1288,
&end
#
# 0 AMB 10-2:1690 23 SER HN 5.50 (# 1690:10 Single Ambig)
&rst
ixpk= 1690, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 380, 395,
&end
#
# 86 GLN HG+ 86 GLN HE2- 5.50 (# 1693:10 Unique 2.24, 3.39 A)
&rst
ixpk= 1693, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1282,1283,
igr2=1287,1288,
&end
#
# 86 GLN HG- 86 GLN HE2- 7.00 (# 1694:10 Unique 2.24, 3.39 A)
&rst
ixpk= 1694, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1282,1283,
igr2=1287,1288,
&end
#
# 0 AMB 10-2:1695 86 GLN HE2- 7.00 (# 1695:10 Single Ambig)
&rst
ixpk= 1695, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1358,1359,1279,1280,
igr2=1287,1288,
&end
#
# 90 ILE QD1 86 GLN HE2- 7.00 (# 1696:10 Unique 2.83, 4.77 A)
&rst
ixpk= 1696, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1361,1362,1363,
igr2=1287,1288,
&end
#
# 25 ALA HN 23 SER HN 7.00 (# 1699:10 Unique 4.18, 4.20 A)
&rst
ixpk= 1699, nxpk= 10, iat= 370, 340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 LYS HN 23 SER HN 4.50 (# 1700:10 Unique 2.70, 2.74 A)
&rst
ixpk= 1700, nxpk= 10, iat= 318, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ILE HN 23 SER HN 4.50 (# 1701:10 Unique 2.75, 2.79 A)
&rst
ixpk= 1701, nxpk= 10, iat= 351, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 SER HA 23 SER HN 4.50 (# 1703:10 Unique 2.83, 2.83 A)
&rst
ixpk= 1703, nxpk= 10, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1704 23 SER HN 3.50 (# 1704:10 Single Ambig)
&rst
ixpk= 1704, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 344, 345, 281,
&end
#
# 22 LYS HA 23 SER HN 5.50 (# 1705:10 Unique 3.56, 3.57 A)
&rst
ixpk= 1705, nxpk= 10, iat= 320, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1706 23 SER HN 7.00 (# 1706:10 Single Ambig)
&rst
ixpk= 1706, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 353, 372, 246,
&end
#
# 22 LYS HB- 23 SER HN 3.50 (# 1708:10 Unique 2.57, 3.06 A)
&rst
ixpk= 1708, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 322, 323,
&end
#
# 0 AMB 10-2:1709 23 SER HN 5.50 (# 1709:10 Single Ambig)
&rst
ixpk= 1709, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 325, 326, 328, 329, 402, 403,
&end
#
# 0 AMB 10-2:1710 23 SER HN 5.50 (# 1710:10 Single Ambig)
&rst
ixpk= 1710, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 355, 856, 857,2118,2119,
&end
#
# 0 AMB 10-2:1711 23 SER HN 4.50 (# 1711:10 Single Ambig)
&rst
ixpk= 1711, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 898, 899, 900, 286,
&end
#
# 0 AMB 10-2:1712 23 SER HN 5.50 (# 1712:10 Single Ambig)
&rst
ixpk= 1712, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 325, 326, 895, 896,
&end
#
# 110 THR HA 109 VAL HN 7.00 (# 1713:10 Unique 4.92, 5.05 A)
&rst
ixpk= 1713, nxpk= 10, iat=1699,1681, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1714 109 VAL HN 5.50 (# 1714:10 Single Ambig)
&rst
ixpk= 1714, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1647,1606,
&end
#
# 0 AMB 10-2:1715 109 VAL HN 7.00 (# 1715:10 Single Ambig)
&rst
ixpk= 1715, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1652,1653,1636,1637,
&end
#
# 0 AMB 10-2:1716 109 VAL HN 4.50 (# 1716:10 Single Ambig)
&rst
ixpk= 1716, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1687,1688,1689,1613,1614,1615,
&end
#
# 108 TYR HN 109 VAL HN 4.50 (# 1717:10 Unique 2.75, 2.81 A)
&rst
ixpk= 1717, nxpk= 10, iat=1660,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HN 109 VAL HN 4.50 (# 1718:10 Unique 2.16, 2.36 A)
&rst
ixpk= 1718, nxpk= 10, iat=1697,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 TYR QE 109 VAL HN 7.00 (# 1719:10 Unique 5.94, 6.87 A)
&rst
ixpk= 1719, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1670,1675,
&end
#
# 108 TYR HD1 109 VAL HN 5.50 (# 1720:10 Unique 3.69, 4.13 A)
&rst
ixpk= 1720, nxpk= 10, iat=1668,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HA 109 VAL HN 3.50 (# 1721:10 Unique 2.89, 2.95 A)
&rst
ixpk= 1721, nxpk= 10, iat=1683,1681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 LYS HA 109 VAL HN 5.50 (# 1722:10 Unique 3.30, 3.49 A)
&rst
ixpk= 1722, nxpk= 10, iat=1625,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HA 109 VAL HN 5.50 (# 1723:10 Unique 3.47, 3.54 A)
&rst
ixpk= 1723, nxpk= 10, iat=1662,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 TYR HB+ 109 VAL HN 3.50 (# 1724:10 Unique 2.42, 3.41 A)
&rst
ixpk= 1724, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1664,1665,
&end
#
# 109 VAL HB 109 VAL HN 3.50 (# 1725:10 Unique 2.53, 2.57 A)
&rst
ixpk= 1725, nxpk= 10, iat=1685,1681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 VAL MG2 109 VAL HN 3.50 (# 1726:10 Unique 2.09, 3.13 A)
&rst
ixpk= 1726, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1691,1692,1693,
&end
#
# 0 AMB 10-2:1727 109 VAL HN 5.50 (# 1727:10 Single Ambig)
&rst
ixpk= 1727, nxpk= 10, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2104,2105,2106,2183,2184,2185,
&end
#
# 81 LEU HG 109 VAL HN 7.00 (# 1728:10 Unique 6.28, 6.80 A)
&rst
ixpk= 1728, nxpk= 10, iat=1205,1681, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 PHE HN 23 SER HN 7.00 (# 1730:10 Unique 4.14, 4.17 A)
&rst
ixpk= 1730, nxpk= 10, iat= 298, 340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 GLN HG+ 89 GLN HE2+ 7.00 (# 1733:10 Unique 2.30, 3.43 A)
&rst
ixpk= 1733, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1338,1339,
igr2=1343,1344,
&end
#
# 89 GLN HG- 89 GLN HE2+ 7.00 (# 1734:10 Unique 2.30, 3.43 A)
&rst
ixpk= 1734, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1338,1339,
igr2=1343,1344,
&end
#
# 89 GLN HB- 89 GLN HE2+ 7.00 (# 1735:10 Unique 2.37, 3.76 A)
&rst
ixpk= 1735, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1335,1336,
igr2=1343,1344,
&end
#
# 89 GLN HA 89 GLN HE2+ 7.00 (# 1737:10 Unique 3.34, 4.93 A)
&rst
ixpk= 1737, nxpk= 10, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1343,1344,
&end
#
# 86 GLN HE2+ 89 GLN HE2- 7.00 (# 1739:10 Unique 4.14, 6.33 A)
&rst
ixpk= 1739, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1287,1288,
igr2=1343,1344,
&end
#
# 89 GLN HG+ 89 GLN HE2- 7.00 (# 1743:10 Unique 2.30, 3.43 A)
&rst
ixpk= 1743, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1338,1339,
igr2=1343,1344,
&end
#
# 89 GLN HG- 89 GLN HE2- 7.00 (# 1744:10 Unique 2.30, 3.43 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1338,1339,
igr2=1343,1344,
&end
#
# 89 GLN HB- 89 GLN HE2- 7.00 (# 1745:10 Unique 2.37, 3.76 A)
&rst
ixpk= 1745, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1335,1336,
igr2=1343,1344,
&end
#
# 87 HIS HN 84 THR HN 7.00 (# 1748:10 Unique 3.19, 3.47 A)
&rst
ixpk= 1748, nxpk= 10, iat=1292,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 109 VAL HB 111 GLY HN 5.50 (# 1750:10 Unique 4.43, 4.87 A)
&rst
ixpk= 1750, nxpk= 10, iat=1685,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 THR HN 111 GLY HN 3.50 (# 1751:10 Unique 2.00, 2.19 A)
&rst
ixpk= 1751, nxpk= 10, iat=1697,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 SER HN 111 GLY HN 3.50 (# 1752:10 Unique 2.53, 2.76 A)
&rst
ixpk= 1752, nxpk= 10, iat=1718,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 THR HA 111 GLY HN 5.50 (# 1753:10 Unique 3.28, 3.35 A)
&rst
ixpk= 1753, nxpk= 10, iat=1699,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 THR HB 111 GLY HN 5.50 (# 1754:10 Unique 3.94, 4.25 A)
&rst
ixpk= 1754, nxpk= 10, iat=1701,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HA 111 GLY HN 3.50 (# 1755:10 Unique 2.74, 2.99 A)
&rst
ixpk= 1755, nxpk= 10, iat=1647,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1757 111 GLY HN 5.50 (# 1757:10 Single Ambig)
&rst
ixpk= 1757, nxpk= 10, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1662,1722,1723,
&end
#
# 107 GLU HB+ 111 GLY HN 7.00 (# 1758:10 Unique 5.18, 5.42 A)
&rst
ixpk= 1758, nxpk= 10, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1649,1650,
&end
#
# 0 AMB 10-2:1759 111 GLY HN 5.50 (# 1759:10 Single Ambig)
&rst
ixpk= 1759, nxpk= 10, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1703,1704,1705,1691,1692,1693,
&end
#
# 140 GLN HE2- 111 GLY HN 7.00 (# 1760:10 Unique 7.56, 7.94 A)
&rst
ixpk= 1760, nxpk= 10, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2169,2170,
&end
#
# 137 LEU HA 140 GLN HE2+ 5.50 (# 1767:10 Unique 2.62, 5.12 A)
&rst
ixpk= 1767, nxpk= 10, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2169,2170,
&end
#
# 140 GLN HG- 140 GLN HE2+ 5.50 (# 1768:10 Unique 2.33, 3.46 A)
&rst
ixpk= 1768, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2164,2165,
igr2=2169,2170,
&end
#
# 0 AMB 10-2:1769 0 AMB 10-1:1769 7.00 (# 1769:10 Double Ambig)
&rst
ixpk= 1769, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2087,2088,2102,
igr2=2169,2170,2169,2170,
&end
#
# 109 VAL MG1 140 GLN HE2+ 7.00 (# 1770:10 Unique 2.60, 3.82 A)
&rst
ixpk= 1770, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1687,1688,1689,
igr2=2169,2170,
&end
#
# 110 THR MG2 140 GLN HE2+ 7.00 (# 1771:10 Unique 2.58, 4.21 A)
&rst
ixpk= 1771, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1703,1704,1705,
igr2=2169,2170,
&end
#
# 137 LEU HA 140 GLN HE2- 5.50 (# 1774:10 Unique 2.62, 5.12 A)
&rst
ixpk= 1774, nxpk= 10, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2169,2170,
&end
#
# 140 GLN HG+ 140 GLN HE2- 5.50 (# 1775:10 Unique 2.33, 3.46 A)
&rst
ixpk= 1775, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2164,2165,
igr2=2169,2170,
&end
#
# 140 GLN HG- 140 GLN HE2- 5.50 (# 1776:10 Unique 2.33, 3.46 A)
&rst
ixpk= 1776, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2164,2165,
igr2=2169,2170,
&end
#
# 136 GLU HG+ 140 GLN HE2- 5.50 (# 1777:10 Unique 3.91, 7.04 A)
&rst
ixpk= 1777, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2087,2088,
igr2=2169,2170,
&end
#
# 140 GLN HB- 140 GLN HE2- 7.00 (# 1778:10 Unique 2.47, 3.60 A)
&rst
ixpk= 1778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2161,2162,
igr2=2169,2170,
&end
#
# 0 AMB 10-2:1779 140 GLN HE2- 7.00 (# 1779:10 Single Ambig)
&rst
ixpk= 1779, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=2087,2088,2102,2207,2208,
igr2=2169,2170,
&end
#
# 110 THR MG2 140 GLN HE2- 7.00 (# 1780:10 Unique 2.58, 4.21 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1703,1704,1705,
igr2=2169,2170,
&end
#
# 137 LEU MD1 140 GLN HE2- 7.00 (# 1781:10 Unique 2.65, 5.60 A)
&rst
ixpk= 1781, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2104,2105,2106,
igr2=2169,2170,
&end
#
# 88 LYS HN 84 THR HN 7.00 (# 1782:10 Unique 3.71, 3.90 A)
&rst
ixpk= 1782, nxpk= 10, iat=1309,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 83 MET HB- 84 THR HN 5.50 (# 1783:10 Unique 3.16, 3.79 A)
&rst
ixpk= 1783, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1231,1232,
&end
#
# 88 LYS HN 84 THR HN 7.00 (# 1784:10 Unique 3.71, 3.90 A)
&rst
ixpk= 1784, nxpk= 10, iat=1309,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 84 THR HA 84 THR HN 5.50 (# 1785:10 Unique 2.86, 2.91 A)
&rst
ixpk= 1785, nxpk= 10, iat=1246,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 HIS HB+ 84 THR HN 5.50 (# 1786:10 Unique 2.10, 3.07 A)
&rst
ixpk= 1786, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1296,1297,
&end
#
# 82 ALA MB 84 THR HN 5.50 (# 1787:10 Unique 2.59, 3.85 A)
&rst
ixpk= 1787, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1221,1222,1223,
&end
#
# 83 MET HA 84 THR HN 7.00 (# 1788:10 Unique 3.19, 3.51 A)
&rst
ixpk= 1788, nxpk= 10, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 87 HIS HB- 84 THR HN 5.50 (# 1790:10 Unique 2.10, 3.07 A)
&rst
ixpk= 1790, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1296,1297,
&end
#
# 84 THR MG2 84 THR HN 5.50 (# 1791:10 Unique 3.15, 4.18 A)
&rst
ixpk= 1791, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1250,1251,1252,
&end
#
# 106 LYS HA 111 GLY HN 5.50 (# 1793:10 Unique 4.41, 5.10 A)
&rst
ixpk= 1793, nxpk= 10, iat=1625,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 GLN HG+ 140 GLN HE2+ 4.50 (# 1794:10 Unique 2.33, 3.46 A)
&rst
ixpk= 1794, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2164,2165,
igr2=2169,2170,
&end
#
# 136 GLU HG+ 140 GLN HE2+ 5.50 (# 1795:10 Unique 3.91, 7.04 A)
&rst
ixpk= 1795, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2087,2088,
igr2=2169,2170,
&end
#
# 140 GLN HB- 140 GLN HE2+ 5.50 (# 1796:10 Unique 2.47, 3.60 A)
&rst
ixpk= 1796, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2161,2162,
igr2=2169,2170,
&end
#
# 137 LEU MD1 140 GLN HE2+ 5.50 (# 1797:10 Unique 2.65, 5.60 A)
&rst
ixpk= 1797, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2104,2105,2106,
igr2=2169,2170,
&end
#
# 72 GLU HN 76 SER HN 7.00 (# 1798:10 Unique 5.93, 5.96 A)
&rst
ixpk= 1798, nxpk= 10, iat=1064,1130, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 109 VAL MG1 140 GLN HE2- 7.00 (# 1801:10 Unique 2.60, 3.82 A)
&rst
ixpk= 1801, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1687,1688,1689,
igr2=2169,2170,
&end
#
# 92 ALA HN 93 SER HN 4.50 (# 1802:10 Unique 2.66, 2.71 A)
&rst
ixpk= 1802, nxpk= 10, iat=1386,1396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 PHE HN 93 SER HN 5.50 (# 1803:10 Unique 4.14, 4.21 A)
&rst
ixpk= 1803, nxpk= 10, iat=1424,1396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1804 93 SER HN 5.50 (# 1804:10 Single Ambig)
&rst
ixpk= 1804, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1348,1444,
&end
#
# 94 GLN HN 93 SER HN 3.50 (# 1805:10 Unique 2.66, 2.72 A)
&rst
ixpk= 1805, nxpk= 10, iat=1407,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 SER HA 93 SER HN 3.50 (# 1807:10 Unique 2.85, 2.86 A)
&rst
ixpk= 1807, nxpk= 10, iat=1398,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 SER HB+ 93 SER HN 3.50 (# 1808:10 Unique 2.49, 3.07 A)
&rst
ixpk= 1808, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1400,1401,
&end
#
# 0 AMB 10-2:1809 93 SER HN 3.50 (# 1809:10 Single Ambig)
&rst
ixpk= 1809, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1350,1388,
&end
#
# 0 AMB 10-2:1810 93 SER HN 5.50 (# 1810:10 Single Ambig)
&rst
ixpk= 1810, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1311,
&end
#
# 0 AMB 10-2:1811 93 SER HN 7.00 (# 1811:10 Single Ambig)
&rst
ixpk= 1811, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1414,1415,1335,1336,
&end
#
# 0 AMB 10-2:1812 93 SER HN 5.50 (# 1812:10 Single Ambig)
&rst
ixpk= 1812, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1414,1415,1352,1358,1359,1377,1378,
&end
#
# 0 AMB 10-2:1813 93 SER HN 5.50 (# 1813:10 Single Ambig)
&rst
ixpk= 1813, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1371,1411,1412,
&end
#
# 92 ALA MB 93 SER HN 3.50 (# 1814:10 Unique 2.53, 3.45 A)
&rst
ixpk= 1814, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1390,1391,1392,
&end
#
# 94 GLN HB+ 93 SER HN 7.00 (# 1815:10 Unique 5.29, 5.90 A)
&rst
ixpk= 1815, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1411,1412,
&end
#
# 0 AMB 10-2:1816 93 SER HN 5.50 (# 1816:10 Single Ambig)
&rst
ixpk= 1816, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1373,1374,1375,1458,1459,1361,1362,1363,
&end
#
# 90 ILE QG2 93 SER HN 7.00 (# 1817:10 Unique 5.09, 5.64 A)
&rst
ixpk= 1817, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1354,1355,1356,
&end
#
# 0 AMB 10-2:1818 93 SER HN 7.00 (# 1818:10 Single Ambig)
&rst
ixpk= 1818, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 578, 579, 580,1564,1565,1566,
&end
#
# 75 GLU HA 76 SER HN 5.50 (# 1820:10 Unique 3.51, 3.55 A)
&rst
ixpk= 1820, nxpk= 10, iat=1117,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1821 76 SER HN 4.50 (# 1821:10 Single Ambig)
&rst
ixpk= 1821, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1122,1123,1122,1123,
&end
#
# 0 AMB 10-2:1822 76 SER HN 7.00 (# 1822:10 Single Ambig)
&rst
ixpk= 1822, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1086,1083,1084,
&end
#
# 75 GLU HN 76 SER HN 4.50 (# 1823:10 Unique 2.54, 2.61 A)
&rst
ixpk= 1823, nxpk= 10, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 SER HA 76 SER HN 3.50 (# 1825:10 Unique 2.85, 2.87 A)
&rst
ixpk= 1825, nxpk= 10, iat=1132,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1826 76 SER HN 5.50 (# 1826:10 Single Ambig)
&rst
ixpk= 1826, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1066,1143,
&end
#
# 0 AMB 10-2:1827 76 SER HN 3.50 (# 1827:10 Single Ambig)
&rst
ixpk= 1827, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1134,1135,1134,1135,
&end
#
# 75 GLU HB+ 76 SER HN 4.50 (# 1828:10 Unique 2.81, 3.40 A)
&rst
ixpk= 1828, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1119,1120,
&end
#
# 75 GLU HB- 76 SER HN 3.50 (# 1829:10 Unique 2.81, 3.40 A)
&rst
ixpk= 1829, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1119,1120,
&end
#
# 74 MET HB- 76 SER HN 7.00 (# 1830:10 Unique 5.19, 5.67 A)
&rst
ixpk= 1830, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1102,1103,
&end
#
# 0 AMB 10-2:1831 76 SER HN 5.50 (# 1831:10 Single Ambig)
&rst
ixpk= 1831, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1145,1146,1147,1102,1103,
&end
#
# 73 LEU MD1 76 SER HN 7.00 (# 1832:10 Unique 4.49, 5.64 A)
&rst
ixpk= 1832, nxpk= 10, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1088,1089,1090,
&end
#
# 95 PHE QD 93 SER HN 7.00 (# 1835:10 Unique 6.70, 7.23 A)
&rst
ixpk= 1835, nxpk= 10, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1432,1440,
&end
#
# 126 ILE HA 129 GLN HE2+ 7.00 (# 1840:10 Unique 2.46, 4.05 A)
&rst
ixpk= 1840, nxpk= 10, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1976,1977,
&end
#
# 129 GLN HG+ 129 GLN HE2+ 5.50 (# 1841:10 Unique 2.26, 3.31 A)
&rst
ixpk= 1841, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1971,1972,
igr2=1976,1977,
&end
#
# 129 GLN HG- 129 GLN HE2+ 5.50 (# 1842:10 Unique 2.26, 3.31 A)
&rst
ixpk= 1842, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1971,1972,
igr2=1976,1977,
&end
#
# 129 GLN HB- 129 GLN HE2+ 7.00 (# 1843:10 Unique 2.71, 4.22 A)
&rst
ixpk= 1843, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1968,1969,
igr2=1976,1977,
&end
#
# 129 GLN HB+ 129 GLN HE2+ 7.00 (# 1844:10 Unique 2.71, 4.22 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1968,1969,
igr2=1976,1977,
&end
#
# 0 AMB 10-2:1845 0 AMB 10-1:1845 5.50 (# 1845:10 Double Ambig)
&rst
ixpk= 1845, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1915,1916,1917,1790,1791,1792,
igr2=1976,1977,1976,1977,
&end
#
# 129 GLN HG+ 129 GLN HE2- 5.50 (# 1852:10 Unique 2.26, 3.31 A)
&rst
ixpk= 1852, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1971,1972,
igr2=1976,1977,
&end
#
# 129 GLN HG- 129 GLN HE2- 5.50 (# 1853:10 Unique 2.26, 3.31 A)
&rst
ixpk= 1853, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1971,1972,
igr2=1976,1977,
&end
#
# 0 AMB 10-2:1854 129 GLN HE2- 5.50 (# 1854:10 Single Ambig)
&rst
ixpk= 1854, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1915,1916,1917,1790,1791,1792,
igr2=1976,1977,
&end
#
# 125 ASP HB+ 129 GLN HE2+ 7.00 (# 1858:10 Unique 3.94, 5.52 A)
&rst
ixpk= 1858, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1894,1895,
igr2=1976,1977,
&end
#
# 95 PHE HB- 96 GLY HN 7.00 (# 1860:10 Unique 3.33, 3.91 A)
&rst
ixpk= 1860, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1428,1429,
&end
#
# 97 ARG HN 96 GLY HN 7.00 (# 1861:10 Unique 2.22, 2.42 A)
&rst
ixpk= 1861, nxpk= 10, iat=1451,1444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 PHE HN 96 GLY HN 5.50 (# 1862:10 Unique 2.63, 2.67 A)
&rst
ixpk= 1862, nxpk= 10, iat=1424,1444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR HN 96 GLY HN 7.00 (# 1863:10 Unique 3.68, 4.10 A)
&rst
ixpk= 1863, nxpk= 10, iat=1475,1444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 PHE QD 96 GLY HN 5.50 (# 1864:10 Unique 5.08, 5.56 A)
&rst
ixpk= 1864, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1432,1440,
&end
#
# 95 PHE HA 96 GLY HN 3.50 (# 1865:10 Unique 3.35, 3.39 A)
&rst
ixpk= 1865, nxpk= 10, iat=1426,1444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 SER HA 96 GLY HN 7.00 (# 1867:10 Unique 3.55, 3.81 A)
&rst
ixpk= 1867, nxpk= 10, iat=1398,1444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 94 GLN HA 96 GLY HN 4.50 (# 1868:10 Unique 4.15, 4.25 A)
&rst
ixpk= 1868, nxpk= 10, iat=1409,1444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 ALA HA 96 GLY HN 5.50 (# 1869:10 Unique 4.01, 4.19 A)
&rst
ixpk= 1869, nxpk= 10, iat=1388,1444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PHE HB+ 96 GLY HN 5.50 (# 1870:10 Unique 3.33, 3.91 A)
&rst
ixpk= 1870, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1428,1429,
&end
#
# 0 AMB 10-2:1871 117 LEU HN 7.00 (# 1871:10 Single Ambig)
&rst
ixpk= 1871, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1757,1758,1636,1637,
&end
#
# 118 ASP HN 117 LEU HN 7.00 (# 1878:10 Unique 2.89, 4.30 A)
&rst
ixpk= 1878, nxpk= 10, iat=1800,1781, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 116 VAL HA 117 LEU HN 3.50 (# 1879:10 Unique 2.41, 2.62 A)
&rst
ixpk= 1879, nxpk= 10, iat=1767,1781, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 LEU HA 117 LEU HN 4.50 (# 1880:10 Unique 2.23, 2.79 A)
&rst
ixpk= 1880, nxpk= 10, iat=1783,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 VAL HB 117 LEU HN 5.50 (# 1881:10 Unique 2.31, 3.44 A)
&rst
ixpk= 1881, nxpk= 10, iat=1769,1781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LEU HB+ 117 LEU HN 4.50 (# 1882:10 Unique 2.20, 2.67 A)
&rst
ixpk= 1882, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1785,1786,
&end
#
# 117 LEU HB- 117 LEU HN 4.50 (# 1883:10 Unique 2.20, 2.67 A)
&rst
ixpk= 1883, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1785,1786,
&end
#
# 117 LEU HG 117 LEU HN 5.50 (# 1884:10 Unique 3.69, 4.34 A)
&rst
ixpk= 1884, nxpk= 10, iat=1788,1781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 VAL MG2 117 LEU HN 5.50 (# 1885:10 Unique 4.16, 4.83 A)
&rst
ixpk= 1885, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1775,1776,1777,
&end
#
# 116 VAL MG1 117 LEU HN 4.50 (# 1886:10 Unique 1.85, 3.16 A)
&rst
ixpk= 1886, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1771,1772,1773,
&end
#
# 117 LEU MD2 117 LEU HN 5.50 (# 1887:10 Unique 2.28, 5.11 A)
&rst
ixpk= 1887, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1794,1795,1796,
&end
#
# 0 AMB 10-2:1888 117 LEU HN 5.50 (# 1888:10 Single Ambig)
&rst
ixpk= 1888, nxpk= 10, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1790,1791,1792,1611,
&end
#
# 121 GLY HN 122 GLY HN 2.50 (# 1889:10 Unique 2.52, 2.54 A)
&rst
ixpk= 1889, nxpk= 10, iat=1846,1853, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 123 SER HN 122 GLY HN 5.50 (# 1890:10 Unique 4.55, 4.56 A)
&rst
ixpk= 1890, nxpk= 10, iat=1860,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1894 122 GLY HN 5.50 (# 1894:10 Single Ambig)
&rst
ixpk= 1894, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1822, 700,
&end
#
# 126 ILE HA 122 GLY HN 7.00 (# 1895:10 Unique 7.01, 7.05 A)
&rst
ixpk= 1895, nxpk= 10, iat=1904,1853, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1898 122 GLY HN 7.00 (# 1898:10 Single Ambig)
&rst
ixpk= 1898, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1906, 728,
&end
#
# 126 ILE QG2 122 GLY HN 5.50 (# 1899:10 Unique 4.16, 5.10 A)
&rst
ixpk= 1899, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1908,1909,1910,
&end
#
# 28 GLU HA 29 GLY HN 4.50 (# 1909:10 Unique 3.47, 3.50 A)
&rst
ixpk= 1909, nxpk= 10, iat= 421, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLU HB- 29 GLY HN 5.50 (# 1910:10 Unique 3.04, 3.57 A)
&rst
ixpk= 1910, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 424,
&end
#
# 0 AMB 10-2:1911 29 GLY HN 5.50 (# 1911:10 Single Ambig)
&rst
ixpk= 1911, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 423, 424, 426, 427,
&end
#
# 0 AMB 10-2:1912 29 GLY HN 5.50 (# 1912:10 Single Ambig)
&rst
ixpk= 1912, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 445, 446, 448,
&end
#
# 30 LEU HB- 29 GLY HN 7.00 (# 1913:10 Unique 3.91, 4.79 A)
&rst
ixpk= 1913, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 445, 446,
&end
#
# 30 LEU MD1 29 GLY HN 5.50 (# 1914:10 Unique 5.39, 6.56 A)
&rst
ixpk= 1914, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 450, 451, 452,
&end
#
# 108 TYR HD1 144 GLN HE2+ 7.00 (# 1916:10 Unique 3.25, 4.55 A)
&rst
ixpk= 1916, nxpk= 10, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1917 0 AMB 10-1:1917 7.00 (# 1917:10 Double Ambig)
&rst
ixpk= 1917, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2249,1685,
igr2=2237,2238,2237,2238,
&end
#
# 94 GLN HA 94 GLN HE2+ 7.00 (# 1918:10 Unique 5.71, 6.15 A)
&rst
ixpk= 1918, nxpk= 10, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1419,1420,
&end
#
# 95 PHE HD2 94 GLN HE2- 7.00 (# 1921:10 Unique 3.34, 4.02 A)
&rst
ixpk= 1921, nxpk= 10, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1419,1420,
&end
#
# 94 GLN HB- 94 GLN HE2- 7.00 (# 1922:10 Unique 3.74, 4.38 A)
&rst
ixpk= 1922, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1411,1412,
igr2=1419,1420,
&end
#
# 0 AMB 10-2:1923 0 AMB 10-1:1923 7.00 (# 1923:10 Double Ambig)
&rst
ixpk= 1923, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2225,1697,
igr2=2237,2238,2237,2238,
&end
#
# 109 VAL HA 144 GLN HE2+ 5.50 (# 1925:10 Unique 2.18, 2.96 A)
&rst
ixpk= 1925, nxpk= 10, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2237,2238,
&end
#
# 144 GLN HA 144 GLN HE2+ 7.00 (# 1926:10 Unique 4.41, 5.10 A)
&rst
ixpk= 1926, nxpk= 10, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2237,2238,
&end
#
# 144 GLN HG- 144 GLN HE2+ 4.50 (# 1927:10 Unique 2.25, 3.40 A)
&rst
ixpk= 1927, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2232,2233,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1928 0 AMB 10-1:1928 4.50 (# 1928:10 Double Ambig)
&rst
ixpk= 1928, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2232,2233,2229,2230,
igr2=2237,2238,2237,2238,
&end
#
# 109 VAL MG1 144 GLN HE2+ 5.50 (# 1929:10 Unique 2.69, 5.33 A)
&rst
ixpk= 1929, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1687,1688,1689,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1930 0 AMB 10-1:1930 5.50 (# 1930:10 Double Ambig)
&rst
ixpk= 1930, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2183,2184,2185,2255,2256,2257,
igr2=2237,2238,2237,2238,
&end
#
# 144 GLN HB- 144 GLN HE2+ 5.50 (# 1931:10 Unique 2.33, 3.82 A)
&rst
ixpk= 1931, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2229,2230,
igr2=2237,2238,
&end
#
# 109 VAL MG2 144 GLN HE2+ 7.00 (# 1932:10 Unique 2.54, 5.22 A)
&rst
ixpk= 1932, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1691,1692,1693,
igr2=2237,2238,
&end
#
# 94 GLN HG+ 94 GLN HE2+ 5.50 (# 1934:10 Unique 2.21, 3.21 A)
&rst
ixpk= 1934, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,
igr2=1419,1420,
&end
#
# 0 AMB 10-2:1935 0 AMB 10-1:1935 4.50 (# 1935:10 Double Ambig)
&rst
ixpk= 1935, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1414,1415,1020,1021,
igr2=1419,1420,1419,1420,
&end
#
# 94 GLN HB- 94 GLN HE2+ 7.00 (# 1936:10 Unique 3.74, 4.38 A)
&rst
ixpk= 1936, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1411,1412,
igr2=1419,1420,
&end
#
# 69 LEU HB- 94 GLN HE2+ 5.50 (# 1937:10 Unique 3.02, 4.42 A)
&rst
ixpk= 1937, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1020,1021,
igr2=1419,1420,
&end
#
# 0 AMB 10-2:1938 0 AMB 10-1:1938 7.00 (# 1938:10 Double Ambig)
&rst
ixpk= 1938, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 582, 583, 584,1188,1189,1190,
igr2=1419,1420,1419,1420,
&end
#
# 108 TYR QE 144 GLN HE2- 5.50 (# 1940:10 Unique 2.89, 5.20 A)
&rst
ixpk= 1940, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1670,1675,
igr2=2237,2238,
&end
#
# 108 TYR HD1 144 GLN HE2- 5.50 (# 1941:10 Unique 3.25, 4.55 A)
&rst
ixpk= 1941, nxpk= 10, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2237,2238,
&end
#
# 109 VAL HA 144 GLN HE2- 5.50 (# 1942:10 Unique 2.18, 2.96 A)
&rst
ixpk= 1942, nxpk= 10, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2237,2238,
&end
#
# 144 GLN HG- 144 GLN HE2- 5.50 (# 1943:10 Unique 2.25, 3.40 A)
&rst
ixpk= 1943, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2232,2233,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1944 144 GLN HE2- 7.00 (# 1944:10 Single Ambig)
&rst
ixpk= 1944, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=2232,2233,2229,2230,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1945 144 GLN HE2- 7.00 (# 1945:10 Single Ambig)
&rst
ixpk= 1945, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2249,1685,
igr2=2237,2238,
&end
#
# 109 VAL MG2 144 GLN HE2- 7.00 (# 1946:10 Unique 2.54, 5.22 A)
&rst
ixpk= 1946, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1691,1692,1693,
igr2=2237,2238,
&end
#
# 109 VAL MG1 144 GLN HE2- 5.50 (# 1947:10 Unique 2.69, 5.33 A)
&rst
ixpk= 1947, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1687,1688,1689,
igr2=2237,2238,
&end
#
# 141 LEU MD1 144 GLN HE2- 5.50 (# 1948:10 Unique 3.63, 6.90 A)
&rst
ixpk= 1948, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2183,2184,2185,
igr2=2237,2238,
&end
#
# 0 AMB 10-2:1949 144 GLN HE2- 7.00 (# 1949:10 Single Ambig)
&rst
ixpk= 1949, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2225,1697,
igr2=2237,2238,
&end
#
# 144 GLN HB- 144 GLN HE2- 7.00 (# 1950:10 Unique 2.33, 3.82 A)
&rst
ixpk= 1950, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2229,2230,
igr2=2237,2238,
&end
#
# 94 GLN HA 94 GLN HE2- 7.00 (# 1953:10 Unique 5.71, 6.15 A)
&rst
ixpk= 1953, nxpk= 10, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1419,1420,
&end
#
# 94 GLN HG+ 94 GLN HE2- 5.50 (# 1954:10 Unique 2.21, 3.21 A)
&rst
ixpk= 1954, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,
igr2=1419,1420,
&end
#
# 0 AMB 10-2:1955 94 GLN HE2- 5.50 (# 1955:10 Single Ambig)
&rst
ixpk= 1955, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1414,1415,1020,1021,
igr2=1419,1420,
&end
#
# 69 LEU HB- 94 GLN HE2- 5.50 (# 1956:10 Unique 3.02, 4.42 A)
&rst
ixpk= 1956, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1020,1021,
igr2=1419,1420,
&end
#
# 0 AMB 10-2:1957 94 GLN HE2- 7.00 (# 1957:10 Single Ambig)
&rst
ixpk= 1957, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 582, 583, 584,1188,1189,1190,
igr2=1419,1420,
&end
#
# 66 SER HB+ 45 GLY HN 5.50 (# 1958:10 Unique 2.42, 3.84 A)
&rst
ixpk= 1958, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 985,
&end
#
# 60 ILE HB 61 ALA HN 5.50 (# 1962:10 Unique 2.70, 3.13 A)
&rst
ixpk= 1962, nxpk= 10, iat= 889, 904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASN HN 45 GLY HN 2.90 (# 1964:10 Unique 1.97, 2.42 A)
&rst
ixpk= 1964, nxpk= 10, iat= 643, 657, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 44 ASN HB+ 45 GLY HN 7.00 (# 1965:10 Unique 3.76, 4.43 A)
&rst
ixpk= 1965, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 647, 648,
&end
#
# 0 AMB 10-2:1966 45 GLY HN 7.00 (# 1966:10 Single Ambig)
&rst
ixpk= 1966, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 612, 613, 614, 159, 160, 161,
&end
#
# 66 SER HN 45 GLY HN 5.50 (# 1967:10 Unique 2.98, 3.49 A)
&rst
ixpk= 1967, nxpk= 10, iat= 980, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HN 45 GLY HN 5.50 (# 1968:10 Unique 3.88, 4.47 A)
&rst
ixpk= 1968, nxpk= 10, iat= 664, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1970 45 GLY HN 4.50 (# 1970:10 Single Ambig)
&rst
ixpk= 1970, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 645, 639,
&end
#
# 42 SER HB+ 45 GLY HN 5.50 (# 1972:10 Unique 2.88, 4.58 A)
&rst
ixpk= 1972, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 622, 623,
&end
#
# 44 ASN HB- 45 GLY HN 7.00 (# 1974:10 Unique 3.76, 4.43 A)
&rst
ixpk= 1974, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 647, 648,
&end
#
# 65 VAL MG1 45 GLY HN 7.00 (# 1975:10 Unique 2.54, 4.12 A)
&rst
ixpk= 1975, nxpk= 10, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 970, 971, 972,
&end
#
# 62 LEU HN 61 ALA HN 7.00 (# 1980:10 Unique 2.90, 3.12 A)
&rst
ixpk= 1980, nxpk= 10, iat= 914, 904, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 ILE HN 61 ALA HN 7.00 (# 1981:10 Unique 1.78, 1.86 A)
&rst
ixpk= 1981, nxpk= 10, iat= 885, 904, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 PHE HA 61 ALA HN 3.50 (# 1983:10 Unique 2.10, 2.25 A)
&rst
ixpk= 1983, nxpk= 10, iat= 813, 904, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ALA MB 61 ALA HN 3.50 (# 1984:10 Unique 2.97, 3.56 A)
&rst
ixpk= 1984, nxpk= 10, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 908, 909, 910,
&end
#
# 60 ILE HG1+ 61 ALA HN 5.50 (# 1985:10 Unique 4.23, 4.87 A)
&rst
ixpk= 1985, nxpk= 10, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 895, 896,
&end
#
# 60 ILE QG2 61 ALA HN 4.50 (# 1986:10 Unique 3.92, 4.77 A)
&rst
ixpk= 1986, nxpk= 10, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 891, 892, 893,
&end
#
# 3 ILE HN 2 ASP HN 7.00 (# 1993:10 Unique 3.95, 4.14 A)
&rst
ixpk= 1993, nxpk= 10, iat= 33, 21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 ASP HA 2 ASP HN 5.50 (# 1994:10 Unique 2.90, 2.92 A)
&rst
ixpk= 1994, nxpk= 10, iat= 23, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1995 2 ASP HN 3.50 (# 1995:10 Single Ambig)
&rst
ixpk= 1995, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1155,1156, 25, 26,
&end
#
# 1 MET HB- 2 ASP HN 5.50 (# 1996:10 Unique 4.02, 4.28 A)
&rst
ixpk= 1996, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 8, 9,
&end
#
# 78 ASP HN 2 ASP HN 5.50 (# 1997:10 Unique 2.84, 3.09 A)
&rst
ixpk= 1997, nxpk= 10, iat=1151, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 1 MET HA 2 ASP HN 3.50 (# 1999:10 Unique 2.22, 2.24 A)
&rst
ixpk= 1999, nxpk= 10, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 MET HG+ 2 ASP HN 5.50 (# 2001:10 Unique 2.92, 3.85 A)
&rst
ixpk= 2001, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 109 VAL HN 110 THR HN 4.50 (# 2005:10 Unique 2.16, 2.36 A)
&rst
ixpk= 2005, nxpk= 10, iat=1681,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 GLY HN 110 THR HN 3.50 (# 2006:10 Unique 2.00, 2.19 A)
&rst
ixpk= 2006, nxpk= 10, iat=1711,1697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 THR HA 110 THR HN 4.50 (# 2007:10 Unique 2.86, 2.96 A)
&rst
ixpk= 2007, nxpk= 10, iat=1699,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HB 110 THR HN 5.50 (# 2013:10 Unique 3.43, 3.65 A)
&rst
ixpk= 2013, nxpk= 10, iat=1701,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HA 110 THR HN 5.50 (# 2014:10 Unique 3.55, 3.58 A)
&rst
ixpk= 2014, nxpk= 10, iat=1683,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HA 110 THR HN 5.50 (# 2015:10 Unique 3.57, 3.95 A)
&rst
ixpk= 2015, nxpk= 10, iat=1647,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 LYS HA 110 THR HN 5.50 (# 2016:10 Unique 2.92, 3.47 A)
&rst
ixpk= 2016, nxpk= 10, iat=1625,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2017 110 THR HN 7.00 (# 2017:10 Single Ambig)
&rst
ixpk= 2017, nxpk= 10, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1722,1723,1662,
&end
#
# 0 AMB 10-2:2018 110 THR HN 7.00 (# 2018:10 Single Ambig)
&rst
ixpk= 2018, nxpk= 10, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1649,1650,2161,2162,
&end
#
# 109 VAL HB 110 THR HN 4.50 (# 2019:10 Unique 2.09, 2.76 A)
&rst
ixpk= 2019, nxpk= 10, iat=1685,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2020 110 THR HN 3.50 (# 2020:10 Single Ambig)
&rst
ixpk= 2020, nxpk= 10, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1703,1704,1705,1691,1692,1693,
&end
#
# 109 VAL MG1 110 THR HN 5.50 (# 2021:10 Unique 3.34, 4.68 A)
&rst
ixpk= 2021, nxpk= 10, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1687,1688,1689,
&end
#
# 137 LEU MD1 110 THR HN 5.50 (# 2022:10 Unique 3.74, 5.38 A)
&rst
ixpk= 2022, nxpk= 10, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2104,2105,2106,
&end
#
# 112 SER HN 110 THR HN 5.50 (# 2023:10 Unique 3.52, 3.72 A)
&rst
ixpk= 2023, nxpk= 10, iat=1718,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ASP HB- 13 ARG HE 7.00 (# 2030:10 Unique 4.32, 5.62 A)
&rst
ixpk= 2030, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1804,1805,
&end
#
# 115 ASP HB- 13 ARG HE 7.00 (# 2031:10 Unique 6.09, 7.31 A)
&rst
ixpk= 2031, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1757,1758,
&end
#
# 131 ARG HA 13 ARG HE 7.00 (# 2032:10 Unique 5.76, 6.81 A)
&rst
ixpk= 2032, nxpk= 10, iat=1997, 191, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 118 ASP HB- 13 ARG HE 7.00 (# 2033:10 Unique 4.32, 5.62 A)
&rst
ixpk= 2033, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1804,1805,
&end
#
# 13 ARG HG+ 13 ARG HE 7.00 (# 2034:10 Unique 2.68, 3.32 A)
&rst
ixpk= 2034, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 185, 186,
&end
#
# 13 ARG HD- 13 ARG HE 5.50 (# 2037:10 Unique 2.28, 2.67 A)
&rst
ixpk= 2037, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 188, 189,
&end
#
# 115 ASP HB- 13 ARG HE 7.00 (# 2038:10 Unique 6.09, 7.31 A)
&rst
ixpk= 2038, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1757,1758,
&end
#
# 117 LEU HB+ 13 ARG HE 5.50 (# 2039:10 Unique 4.26, 5.46 A)
&rst
ixpk= 2039, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1785,1786,
&end
#
# 0 AMB 10-2:2040 13 ARG HE 7.00 (# 2040:10 Single Ambig)
&rst
ixpk= 2040, nxpk= 10, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1611,1790,1791,1792,
&end
#
# 93 SER HN 94 GLN HN 4.50 (# 2044:10 Unique 2.66, 2.72 A)
&rst
ixpk= 2044, nxpk= 10, iat=1396,1407, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS HN 87 HIS HN 4.50 (# 2045:10 Unique 2.64, 2.68 A)
&rst
ixpk= 2045, nxpk= 10, iat=1309,1292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2046 67 SER HN 7.00 (# 2046:10 Single Ambig)
&rst
ixpk= 2046, nxpk= 10, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 565, 555,
&end
#
# 108 TYR QE 144 GLN HE2+ 5.50 (# 2051:10 Unique 2.89, 5.20 A)
&rst
ixpk= 2051, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1670,1675,
igr2=2237,2238,
&end
#
# 30 LEU HN 29 GLY HN 3.50 (# 2052:10 Unique 2.30, 2.38 A)
&rst
ixpk= 2052, nxpk= 10, iat= 441, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2054 98 TYR HN 5.50 (# 2054:10 Single Ambig)
&rst
ixpk= 2054, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1455,1456,1105,1106,
&end
#
# 129 GLN HN 130 THR HN 4.50 (# 2055:10 Unique 2.57, 2.66 A)
&rst
ixpk= 2055, nxpk= 10, iat=1964,1981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2056 4 ILE HN 5.50 (# 2056:10 Single Ambig)
&rst
ixpk= 2056, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1207,1208,1209,1172,1173,1174,
&end
#
# 0 AMB 10-2:2057 4 ILE HN 7.00 (# 2057:10 Single Ambig)
&rst
ixpk= 2057, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 524, 525, 15, 16, 17,
&end
#
# 78 ASP HB- 77 ALA HN 7.00 (# 2058:10 Unique 6.07, 6.55 A)
&rst
ixpk= 2058, nxpk= 10, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1155,1156,
&end
#
# 90 ILE QG2 90 ILE HN 5.50 (# 2059:10 Unique 4.42, 4.60 A)
&rst
ixpk= 2059, nxpk= 10, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1354,1355,1356,
&end
#
# 143 LYS HB+ 143 LYS HN 3.50 (# 2060:10 Unique 2.21, 3.00 A)
&rst
ixpk= 2060, nxpk= 10, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2207,2208,
&end
#
# 0 AMB 10-2:2061 2 ASP HN 7.00 (# 2061:10 Single Ambig)
&rst
ixpk= 2061, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1145,1146,1147,1170,
&end
#
# 79 LEU HN 2 ASP HN 7.00 (# 2062:10 Unique 3.57, 3.72 A)
&rst
ixpk= 2062, nxpk= 10, iat=1163, 21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 ARG HN 3 ILE HN 7.00 (# 2063:10 Unique 3.76, 3.91 A)
&rst
ixpk= 2063, nxpk= 10, iat= 520, 33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 ASP HA 3 ILE HN 3.50 (# 2064:10 Unique 2.19, 2.22 A)
&rst
ixpk= 2064, nxpk= 10, iat= 23, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 VAL HA 3 ILE HN 5.50 (# 2065:10 Unique 2.12, 2.27 A)
&rst
ixpk= 2065, nxpk= 10, iat= 506, 33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ILE HA 3 ILE HN 5.50 (# 2066:10 Unique 2.96, 2.97 A)
&rst
ixpk= 2066, nxpk= 10, iat= 35, 33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ASN HB+ 3 ILE HN 5.50 (# 2067:10 Unique 3.95, 4.80 A)
&rst
ixpk= 2067, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 494, 495,
&end
#
# 0 AMB 10-2:2068 3 ILE HN 7.00 (# 2068:10 Single Ambig)
&rst
ixpk= 2068, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 508, 8, 9,
&end
#
# 0 AMB 10-2:2069 3 ILE HN 7.00 (# 2069:10 Single Ambig)
&rst
ixpk= 2069, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 524, 525, 15, 16, 17,
&end
#
# 0 AMB 10-2:2070 3 ILE HN 4.50 (# 2070:10 Single Ambig)
&rst
ixpk= 2070, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 43, 44, 37,
&end
#
# 3 ILE HG1+ 3 ILE HN 5.50 (# 2071:10 Unique 2.34, 3.08 A)
&rst
ixpk= 2071, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 43, 44,
&end
#
# 3 ILE QG2 3 ILE HN 5.50 (# 2072:10 Unique 4.49, 4.70 A)
&rst
ixpk= 2072, nxpk= 10, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41,
&end
#
# 1 MET HA 3 ILE HN 7.00 (# 2073:10 Unique 5.74, 5.99 A)
&rst
ixpk= 2073, nxpk= 10, iat= 6, 33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 ILE HN 4 ILE HN 7.00 (# 2074:10 Unique 4.45, 4.49 A)
&rst
ixpk= 2074, nxpk= 10, iat= 33, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 ILE HN 4 ILE HN 7.00 (# 2075:10 Unique 4.45, 4.49 A)
&rst
ixpk= 2075, nxpk= 10, iat= 33, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2076 4 ILE HN 7.00 (# 2076:10 Single Ambig)
&rst
ixpk= 2076, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 520, 91,
&end
#
# 0 AMB 10-2:2077 4 ILE HN 7.00 (# 2077:10 Single Ambig)
&rst
ixpk= 2077, nxpk= 10, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 527, 528, 524, 525,1536,1537,
&end
#
# 36 SER HB- 5 PHE HN 7.00 (# 2079:10 Unique 3.40, 4.97 A)
&rst
ixpk= 2079, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 548, 549,
&end
#
# 0 AMB 10-2:2080 5 PHE HN 7.00 (# 2080:10 Single Ambig)
&rst
ixpk= 2080, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 524, 525,1238,1239,1240,
&end
#
# 0 AMB 10-2:2081 5 PHE HN 7.00 (# 2081:10 Single Ambig)
&rst
ixpk= 2081, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 559, 560, 561,1170,
&end
#
# 4 ILE HG1- 5 PHE HN 7.00 (# 2082:10 Unique 4.65, 4.96 A)
&rst
ixpk= 2082, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 62, 63,
&end
#
# 81 LEU HB- 5 PHE HN 7.00 (# 2083:10 Unique 5.19, 5.39 A)
&rst
ixpk= 2083, nxpk= 10, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1202,1203,
&end
#
# 95 PHE QD 92 ALA HN 7.00 (# 2084:10 Unique 5.40, 6.70 A)
&rst
ixpk= 2084, nxpk= 10, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1432,1440,
&end
#
# 94 GLN HN 92 ALA HN 7.00 (# 2085:10 Unique 4.23, 4.26 A)
&rst
ixpk= 2085, nxpk= 10, iat=1407,1386, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2086 0 AMB 10-1:2086 7.00 (# 2086:10 Double Ambig)
&rst
ixpk= 2086, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2065,1217,
igr2=2019, 91,
&end
#
# 0 AMB 10-2:2087 0 AMB 10-1:2087 5.50 (# 2087:10 Double Ambig)
&rst
ixpk= 2087, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,2046,
igr2= 91,2019,
&end
#
# 133 GLU HN 132 ASP HN 4.50 (# 2088:10 Unique 2.58, 2.65 A)
&rst
ixpk= 2088, nxpk= 10, iat=2031,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 CYS HN 6 VAL HN 7.00 (# 2089:10 Unique 4.03, 4.26 A)
&rst
ixpk= 2089, nxpk= 10, iat= 107, 91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 VAL HA 6 VAL HN 7.00 (# 2091:10 Unique 2.93, 2.94 A)
&rst
ixpk= 2091, nxpk= 10, iat= 93, 91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2093 132 ASP HN 4.50 (# 2093:10 Single Ambig)
&rst
ixpk= 2093, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1966,2033,
&end
#
# 0 AMB 10-2:2094 132 ASP HN 5.50 (# 2094:10 Single Ambig)
&rst
ixpk= 2094, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1997,1944,
&end
#
# 7 CYS HB+ 6 VAL HN 6.00 (# 2095:10 Unique 4.62, 5.84 A)
&rst
ixpk= 2095, nxpk= 10, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 111, 112,
&end
#
# 132 ASP HB+ 132 ASP HN 4.50 (# 2096:10 Unique 2.42, 2.53 A)
&rst
ixpk= 2096, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2023,2024,
&end
#
# 131 ARG HB+ 132 ASP HN 5.50 (# 2097:10 Unique 2.88, 4.05 A)
&rst
ixpk= 2097, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1999,2000,
&end
#
# 0 AMB 10-2:2098 132 ASP HN 5.50 (# 2098:10 Single Ambig)
&rst
ixpk= 2098, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2035,2036,2038,2039,
&end
#
# 0 AMB 10-2:2099 132 ASP HN 5.50 (# 2099:10 Single Ambig)
&rst
ixpk= 2099, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2050,2051,2069,2070,1968,1969,
&end
#
# 131 ARG QG 132 ASP HN 4.50 (# 2100:10 Unique 2.42, 3.08 A)
&rst
ixpk= 2100, nxpk= 10, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2002,2003,
&end
#
# 0 AMB 10-2:2101 0 AMB 10-1:2101 7.00 (# 2101:10 Double Ambig)
&rst
ixpk= 2101, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1231,1232,1955,1956,
igr2= 91,2019,
&end
#
# 132 ASP HA 132 ASP HN 4.50 (# 2102:10 Unique 2.85, 2.86 A)
&rst
ixpk= 2102, nxpk= 10, iat=2021,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2106 7 CYS HN 7.00 (# 2106:10 Single Ambig)
&rst
ixpk= 2106, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 143, 144,1234,1235,1238,1239,1240,
&end
#
# 6 VAL HB 7 CYS HN 7.00 (# 2107:10 Unique 3.65, 3.95 A)
&rst
ixpk= 2107, nxpk= 10, iat= 95, 107, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2108 7 CYS HN 7.00 (# 2108:10 Single Ambig)
&rst
ixpk= 2108, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 559, 560, 561, 612, 613, 614,
&end
#
# 39 VAL MG1 7 CYS HN 7.00 (# 2109:10 Unique 5.68, 7.80 A)
&rst
ixpk= 2109, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 578, 579, 580,
&end
#
# 4 ILE QG2 7 CYS HN 7.00 (# 2110:10 Unique 5.86, 6.84 A)
&rst
ixpk= 2110, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 58, 59, 60,
&end
#
# 0 AMB 10-2:2111 7 CYS HN 7.00 (# 2111:10 Single Ambig)
&rst
ixpk= 2111, nxpk= 10, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 91,1227,
&end
#
# 41 ALA MB 10 ASN HN 7.00 (# 2115:10 Unique 2.21, 4.35 A)
&rst
ixpk= 2115, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 612, 613, 614,
&end
#
# 10 ASN HB- 10 ASN HN 3.00 (# 2116:10 Unique 2.39, 3.35 A)
&rst
ixpk= 2116, nxpk= 10, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 143, 144,
&end
#
# 15 PRO HA 16 MET HN 7.00 (# 2117:10 Unique 3.55, 3.56 A)
&rst
ixpk= 2117, nxpk= 10, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 PRO HD+ 16 MET HN 7.00 (# 2118:10 Unique 2.66, 3.43 A)
&rst
ixpk= 2118, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 214, 215,
&end
#
# 16 MET HB- 16 MET HN 5.50 (# 2119:10 Unique 2.51, 3.09 A)
&rst
ixpk= 2119, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 231, 232,
&end
#
# 51 ALA MB 16 MET HN 7.00 (# 2120:10 Unique 4.61, 5.58 A)
&rst
ixpk= 2120, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 745, 746, 747,
&end
#
# 15 PRO HG- 16 MET HN 7.00 (# 2121:10 Unique 2.65, 3.72 A)
&rst
ixpk= 2121, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 217, 218,
&end
#
# 15 PRO HB- 16 MET HN 7.00 (# 2122:10 Unique 2.97, 3.99 A)
&rst
ixpk= 2122, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 220, 221,
&end
#
# 17 ALA MB 16 MET HN 7.00 (# 2123:10 Unique 4.71, 5.25 A)
&rst
ixpk= 2123, nxpk= 10, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 248, 249, 250,
&end
#
# 17 ALA HN 16 MET HN 5.50 (# 2125:10 Unique 2.45, 2.52 A)
&rst
ixpk= 2125, nxpk= 10, iat= 244, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2129 17 ALA HN 5.50 (# 2129:10 Single Ambig)
&rst
ixpk= 2129, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 229, 548, 549,
&end
#
# 18 GLU HA 17 ALA HN 7.00 (# 2130:10 Unique 5.24, 5.32 A)
&rst
ixpk= 2130, nxpk= 10, iat= 256, 244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 ARG HA 17 ALA HN 7.00 (# 2131:10 Unique 4.06, 4.35 A)
&rst
ixpk= 2131, nxpk= 10, iat= 180, 244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2132 17 ALA HN 7.00 (# 2132:10 Single Ambig)
&rst
ixpk= 2132, nxpk= 10, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 283, 284,1987,1988,1989,
&end
#
# 0 AMB 10-2:2133 18 GLU HN 7.00 (# 2133:10 Single Ambig)
&rst
ixpk= 2133, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 231, 232, 185, 186, 328, 329, 325, 326,
&end
#
# 0 AMB 10-2:2134 18 GLU HN 7.00 (# 2134:10 Single Ambig)
&rst
ixpk= 2134, nxpk= 10, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 220, 221, 510, 511, 512,
&end
#
# 17 ALA HA 19 ALA HN 7.00 (# 2135:10 Unique 4.45, 4.46 A)
&rst
ixpk= 2135, nxpk= 10, iat= 246, 269, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 GLU HB+ 19 ALA HN 5.50 (# 2136:10 Unique 2.42, 3.34 A)
&rst
ixpk= 2136, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 259,
&end
#
# 0 AMB 10-2:2137 0 AMB 10-1:2137 5.50 (# 2137:10 Double Ambig)
&rst
ixpk= 2137, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 328, 329, 325, 326,2271,2272,
igr2= 269,2283,
&end
#
# 17 ALA MB 19 ALA HN 5.50 (# 2138:10 Unique 5.18, 5.68 A)
&rst
ixpk= 2138, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 248, 249, 250,
&end
#
# 0 AMB 10-2:2139 19 ALA HN 5.50 (# 2139:10 Single Ambig)
&rst
ixpk= 2139, nxpk= 10, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 286, 891, 892, 893,
&end
#
# 18 GLU HN 20 LEU HN 7.00 (# 2140:10 Unique 4.22, 4.25 A)
&rst
ixpk= 2140, nxpk= 10, iat= 254, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 17 ALA HN 20 LEU HN 7.00 (# 2141:10 Unique 4.70, 4.75 A)
&rst
ixpk= 2141, nxpk= 10, iat= 244, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 MET HA 20 LEU HN 7.00 (# 2143:10 Unique 3.92, 4.00 A)
&rst
ixpk= 2143, nxpk= 10, iat= 229, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 PHE HB+ 20 LEU HN 7.00 (# 2144:10 Unique 4.95, 5.13 A)
&rst
ixpk= 2144, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 302, 303,
&end
#
# 0 AMB 10-2:2145 20 LEU HN 7.00 (# 2145:10 Single Ambig)
&rst
ixpk= 2145, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 261, 262, 238, 239, 240,
&end
#
# 17 ALA MB 20 LEU HN 7.00 (# 2146:10 Unique 5.46, 5.68 A)
&rst
ixpk= 2146, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 248, 249, 250,
&end
#
# 138 LEU MD2 20 LEU HN 7.00 (# 2147:10 Unique 4.25, 4.75 A)
&rst
ixpk= 2147, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2127,2128,2129,
&end
#
# 0 AMB 10-2:2148 20 LEU HN 7.00 (# 2148:10 Single Ambig)
&rst
ixpk= 2148, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2118,2119, 355,
&end
#
# 0 AMB 10-2:2149 20 LEU HN 7.00 (# 2149:10 Single Ambig)
&rst
ixpk= 2149, nxpk= 10, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 258, 259,2050,2051,
&end
#
# 19 ALA HA 21 PHE HN 5.50 (# 2150:10 Unique 4.45, 4.46 A)
&rst
ixpk= 2150, nxpk= 10, iat= 271, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ALA HN 21 PHE HN 7.00 (# 2152:10 Unique 4.06, 4.10 A)
&rst
ixpk= 2152, nxpk= 10, iat= 269, 298, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 GLU HB+ 21 PHE HN 7.00 (# 2153:10 Unique 5.52, 5.70 A)
&rst
ixpk= 2153, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 258, 259,
&end
#
# 17 ALA MB 21 PHE HN 7.00 (# 2154:10 Unique 4.82, 5.48 A)
&rst
ixpk= 2154, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 248, 249, 250,
&end
#
# 0 AMB 10-2:2155 21 PHE HN 5.50 (# 2155:10 Single Ambig)
&rst
ixpk= 2155, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2118,2119, 355,
&end
#
# 0 AMB 10-2:2156 21 PHE HN 7.00 (# 2156:10 Single Ambig)
&rst
ixpk= 2156, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 261, 262, 508,
&end
#
# 0 AMB 10-2:2157 21 PHE HN 5.50 (# 2157:10 Single Ambig)
&rst
ixpk= 2157, nxpk= 10, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2118,2119, 322, 323,
&end
#
# 24 ILE HN 22 LYS HN 7.00 (# 2158:10 Unique 4.12, 4.18 A)
&rst
ixpk= 2158, nxpk= 10, iat= 351, 318, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 138 LEU MD2 22 LYS HN 7.00 (# 2159:10 Unique 5.10, 6.07 A)
&rst
ixpk= 2159, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2127,2128,2129,
&end
#
# 21 PHE HD2 22 LYS HN 7.00 (# 2160:10 Unique 4.06, 4.22 A)
&rst
ixpk= 2160, nxpk= 10, iat= 314, 318, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 SER HN 22 LYS HN 5.50 (# 2161:10 Unique 2.70, 2.74 A)
&rst
ixpk= 2161, nxpk= 10, iat= 340, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2162 22 LYS HN 5.50 (# 2162:10 Single Ambig)
&rst
ixpk= 2162, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 320, 256,
&end
#
# 21 PHE HB+ 22 LYS HN 5.50 (# 2163:10 Unique 2.84, 3.44 A)
&rst
ixpk= 2163, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 302, 303,
&end
#
# 0 AMB 10-2:2164 22 LYS HN 5.50 (# 2164:10 Single Ambig)
&rst
ixpk= 2164, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 302, 303, 331, 332,
&end
#
# 0 AMB 10-2:2165 22 LYS HN 5.50 (# 2165:10 Single Ambig)
&rst
ixpk= 2165, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 261, 262, 508,
&end
#
# 22 LYS HG- 22 LYS HN 4.50 (# 2166:10 Unique 2.46, 3.17 A)
&rst
ixpk= 2166, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 22 LYS HB- 22 LYS HN 4.50 (# 2167:10 Unique 2.32, 2.99 A)
&rst
ixpk= 2167, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 34 VAL MG2 22 LYS HN 5.50 (# 2168:10 Unique 3.28, 4.26 A)
&rst
ixpk= 2168, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 514, 515, 516,
&end
#
# 34 VAL MG1 22 LYS HN 7.00 (# 2169:10 Unique 4.77, 5.75 A)
&rst
ixpk= 2169, nxpk= 10, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 510, 511, 512,
&end
#
# 0 AMB 10-2:2171 23 SER HN 7.00 (# 2171:10 Single Ambig)
&rst
ixpk= 2171, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 331, 332, 302, 303,
&end
#
# 0 AMB 10-2:2173 23 SER HN 7.00 (# 2173:10 Single Ambig)
&rst
ixpk= 2173, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 895, 896, 374, 375, 376,
&end
#
# 0 AMB 10-2:2174 23 SER HN 7.00 (# 2174:10 Single Ambig)
&rst
ixpk= 2174, nxpk= 10, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 273, 274, 275, 514, 515, 516,
&end
#
# 0 AMB 10-2:2176 24 ILE HN 7.00 (# 2176:10 Single Ambig)
&rst
ixpk= 2176, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 380, 395,
&end
#
# 24 ILE HG1+ 24 ILE HN 5.50 (# 2177:10 Unique 2.45, 3.12 A)
&rst
ixpk= 2177, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 361, 362,
&end
#
# 21 PHE QE 24 ILE HN 7.00 (# 2178:10 Unique 6.53, 6.84 A)
&rst
ixpk= 2178, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 308, 312,
&end
#
# 21 PHE HD2 24 ILE HN 7.00 (# 2179:10 Unique 5.67, 5.87 A)
&rst
ixpk= 2179, nxpk= 10, iat= 314, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 LYS HA 24 ILE HN 7.00 (# 2180:10 Unique 4.45, 4.49 A)
&rst
ixpk= 2180, nxpk= 10, iat= 320, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2181 24 ILE HN 7.00 (# 2181:10 Single Ambig)
&rst
ixpk= 2181, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
igr1=2197,2198,2199, 325, 326, 895, 896, 856, 857, 445,
446,
&end
#
# 0 AMB 10-2:2182 24 ILE HN 5.50 (# 2182:10 Single Ambig)
&rst
ixpk= 2182, nxpk= 10, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 322, 323,2118,2119, 399, 400,
&end
#
# 0 AMB 10-2:2183 25 ALA HN 7.00 (# 2183:10 Single Ambig)
&rst
ixpk= 2183, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 402, 403, 325, 326,
&end
#
# 21 PHE QE 25 ALA HN 7.00 (# 2184:10 Unique 4.70, 5.46 A)
&rst
ixpk= 2184, nxpk= 10, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 308, 312,
&end
#
# 0 AMB 10-2:2185 26 GLU HN 5.50 (# 2185:10 Single Ambig)
&rst
ixpk= 2185, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 419,
&end
#
# 140 GLN HG- 136 GLU HN 7.00 (# 2188:10 Unique 6.88, 7.89 A)
&rst
ixpk= 2188, nxpk= 10, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2164,2165,
&end
#
# 0 AMB 10-2:2189 0 AMB 10-1:2189 5.50 (# 2189:10 Double Ambig)
&rst
ixpk= 2189, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 399, 400, 322, 323,2140,2141,2118,2119,
igr2= 380,2080,
&end
#
# 0 AMB 10-2:2190 26 GLU HN 7.00 (# 2190:10 Single Ambig)
&rst
ixpk= 2190, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 402, 403, 423, 424,
&end
#
# 0 AMB 10-2:2191 0 AMB 10-1:2191 7.00 (# 2191:10 Double Ambig)
&rst
ixpk= 2191, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2140,2141, 355,
igr2=2080, 380,
&end
#
# 30 LEU HB- 26 GLU HN 7.00 (# 2192:10 Unique 5.27, 5.91 A)
&rst
ixpk= 2192, nxpk= 10, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 445, 446,
&end
#
# 0 AMB 10-2:2193 0 AMB 10-1:2193 5.50 (# 2193:10 Double Ambig)
&rst
ixpk= 2193, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 357, 358, 359, 364, 365, 366, 484, 485, 486,2123,
2124,2125, 450, 451, 452,
igr2= 380,2080,
&end
#
# 25 ALA HN 27 ARG HN 7.00 (# 2194:10 Unique 4.07, 4.13 A)
&rst
ixpk= 2194, nxpk= 10, iat= 370, 395, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 ARG HD+ 27 ARG HN 5.50 (# 2195:10 Unique 2.73, 4.41 A)
&rst
ixpk= 2195, nxpk= 10, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 405, 406,
&end
#
# 25 ALA HN 28 GLU HN 7.00 (# 2198:10 Unique 4.61, 4.70 A)
&rst
ixpk= 2198, nxpk= 10, iat= 370, 419, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 ARG HD+ 28 GLU HN 7.00 (# 2199:10 Unique 4.83, 5.43 A)
&rst
ixpk= 2199, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 405, 406,
&end
#
# 25 ALA MB 28 GLU HN 7.00 (# 2200:10 Unique 5.33, 5.59 A)
&rst
ixpk= 2200, nxpk= 10, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 374, 375, 376,
&end
#
# 27 ARG HB+ 29 GLY HN 7.00 (# 2201:10 Unique 4.92, 5.44 A)
&rst
ixpk= 2201, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 399, 400,
&end
#
# 0 AMB 10-2:2202 29 GLY HN 7.00 (# 2202:10 Single Ambig)
&rst
ixpk= 2202, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 426, 427, 387, 388,
&end
#
# 25 ALA HA 29 GLY HN 5.50 (# 2203:10 Unique 3.88, 3.98 A)
&rst
ixpk= 2203, nxpk= 10, iat= 372, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2206 29 GLY HN 5.50 (# 2206:10 Single Ambig)
&rst
ixpk= 2206, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 382, 397,
&end
#
# 27 ARG HN 30 LEU HN 5.50 (# 2208:10 Unique 5.43, 5.48 A)
&rst
ixpk= 2208, nxpk= 10, iat= 395, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA MB 30 LEU HN 5.50 (# 2209:10 Unique 3.38, 4.36 A)
&rst
ixpk= 2209, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 374, 375, 376,
&end
#
# 145 LEU HB+ 30 LEU HN 7.00 (# 2210:10 Unique 7.57, 7.90 A)
&rst
ixpk= 2210, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2246,2247,
&end
#
# 28 GLU HB- 30 LEU HN 5.50 (# 2212:10 Unique 2.91, 3.57 A)
&rst
ixpk= 2212, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 424,
&end
#
# 32 VAL HB 32 VAL HN 5.50 (# 2213:10 Unique 3.87, 3.91 A)
&rst
ixpk= 2213, nxpk= 10, iat= 478, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 VAL MG2 34 VAL HN 5.50 (# 2214:10 Unique 2.34, 3.48 A)
&rst
ixpk= 2214, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 514, 515, 516,
&end
#
# 0 AMB 10-2:2215 34 VAL HN 7.00 (# 2215:10 Single Ambig)
&rst
ixpk= 2215, nxpk= 10, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 325, 326, 527, 528,
&end
#
# 0 AMB 10-2:2216 0 AMB 10-1:2216 7.00 (# 2216:10 Double Ambig)
&rst
ixpk= 2216, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1= 478,1649,1650,1536,1537, 258, 259,
igr2= 504,1570,
&end
#
# 35 ARG HN 34 VAL HN 7.00 (# 2218:10 Unique 4.29, 4.33 A)
&rst
ixpk= 2218, nxpk= 10, iat= 520, 504, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 ASP HA 34 VAL HN 7.00 (# 2219:10 Unique 4.76, 4.94 A)
&rst
ixpk= 2219, nxpk= 10, iat= 23, 504, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 ASP HA 35 ARG HN 7.00 (# 2220:10 Unique 5.67, 5.75 A)
&rst
ixpk= 2220, nxpk= 10, iat= 23, 520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 36 SER HA 35 ARG HN 7.00 (# 2221:10 Unique 4.61, 4.69 A)
&rst
ixpk= 2221, nxpk= 10, iat= 546, 520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 ARG HA 35 ARG HN 4.50 (# 2222:10 Unique 2.94, 2.95 A)
&rst
ixpk= 2222, nxpk= 10, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE QD1 35 ARG HN 7.00 (# 2223:10 Unique 5.97, 6.89 A)
&rst
ixpk= 2223, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 46, 47, 48,
&end
#
# 3 ILE QG2 35 ARG HN 7.00 (# 2224:10 Unique 4.54, 5.51 A)
&rst
ixpk= 2224, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 39, 40, 41,
&end
#
# 73 LEU MD1 35 ARG HN 5.50 (# 2225:10 Unique 5.81, 6.94 A)
&rst
ixpk= 2225, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 0 AMB 10-2:2226 35 ARG HN 5.50 (# 2226:10 Single Ambig)
&rst
ixpk= 2226, nxpk= 10, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 261, 262,
&end
#
# 0 AMB 10-2:2232 36 SER HN 7.00 (# 2232:10 Single Ambig)
&rst
ixpk= 2232, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 995, 996, 256,
&end
#
# 36 SER HB+ 36 SER HN 7.00 (# 2233:10 Unique 2.51, 3.37 A)
&rst
ixpk= 2233, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 548, 549,
&end
#
# 35 ARG HD+ 36 SER HN 7.00 (# 2234:10 Unique 4.00, 5.29 A)
&rst
ixpk= 2234, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 530, 531,
&end
#
# 0 AMB 10-2:2235 36 SER HN 7.00 (# 2235:10 Single Ambig)
&rst
ixpk= 2235, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1088,1089,1090, 220, 221,
&end
#
# 73 LEU MD2 36 SER HN 7.00 (# 2236:10 Unique 4.44, 5.68 A)
&rst
ixpk= 2236, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1092,1093,1094,
&end
#
# 0 AMB 10-2:2237 36 SER HN 7.00 (# 2237:10 Single Ambig)
&rst
ixpk= 2237, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 559, 560, 561, 220, 221,
&end
#
# 4 ILE HG1- 36 SER HN 7.00 (# 2238:10 Unique 5.15, 6.10 A)
&rst
ixpk= 2238, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 62, 63,
&end
#
# 0 AMB 10-2:2239 36 SER HN 7.00 (# 2239:10 Single Ambig)
&rst
ixpk= 2239, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 514, 515, 516, 217, 218, 56,
&end
#
# 18 GLU HB+ 36 SER HN 7.00 (# 2240:10 Unique 4.39, 5.01 A)
&rst
ixpk= 2240, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 258, 259,
&end
#
# 35 ARG HG- 36 SER HN 7.00 (# 2241:10 Unique 3.57, 4.42 A)
&rst
ixpk= 2241, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 527, 528,
&end
#
# 35 ARG HB- 36 SER HN 5.50 (# 2242:10 Unique 2.16, 2.95 A)
&rst
ixpk= 2242, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 524, 525,
&end
#
# 35 ARG HB+ 36 SER HN 4.50 (# 2243:10 Unique 2.16, 2.95 A)
&rst
ixpk= 2243, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 524, 525,
&end
#
# 123 SER HN 128 LYS HN 7.00 (# 2244:10 Unique 7.06, 7.07 A)
&rst
ixpk= 2244, nxpk= 10, iat=1860,1942, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 PHE QD 37 ALA HN 7.00 (# 2245:10 Unique 5.91, 6.73 A)
&rst
ixpk= 2245, nxpk= 10, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 79, 87,
&end
#
# 126 ILE HA 128 LYS HN 5.50 (# 2248:10 Unique 4.22, 4.31 A)
&rst
ixpk= 2248, nxpk= 10, iat=1904,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HB- 38 GLY HN 7.00 (# 2250:10 Unique 4.97, 5.13 A)
&rst
ixpk= 2250, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1009,1010,
&end
#
# 68 PRO HB+ 38 GLY HN 7.00 (# 2251:10 Unique 4.97, 5.13 A)
&rst
ixpk= 2251, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1009,1010,
&end
#
# 67 SER HB- 38 GLY HN 7.00 (# 2252:10 Unique 4.86, 5.55 A)
&rst
ixpk= 2252, nxpk= 10, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 995, 996,
&end
#
# 41 ALA HN 38 GLY HN 7.00 (# 2253:10 Unique 3.83, 4.18 A)
&rst
ixpk= 2253, nxpk= 10, iat= 608, 565, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2254 39 VAL HN 7.00 (# 2254:10 Single Ambig)
&rst
ixpk= 2254, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 565, 555,
&end
#
# 6 VAL MG2 39 VAL HN 7.00 (# 2255:10 Unique 2.68, 3.50 A)
&rst
ixpk= 2255, nxpk= 10, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 101, 102, 103,
&end
#
# 39 VAL HN 40 PHE HN 2.70 (# 2256:10 Unique 2.61, 2.69 A)
&rst
ixpk= 2256, nxpk= 10, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 39 VAL MG1 40 PHE HN 5.50 (# 2257:10 Unique 4.07, 4.91 A)
&rst
ixpk= 2257, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 578, 579, 580,
&end
#
# 0 AMB 10-2:2258 40 PHE HN 7.00 (# 2258:10 Single Ambig)
&rst
ixpk= 2258, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 101, 102, 103,1354,1355,1356,
&end
#
# 41 ALA MB 40 PHE HN 5.50 (# 2259:10 Unique 3.98, 4.71 A)
&rst
ixpk= 2259, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 612, 613, 614,
&end
#
# 8 THR MG2 40 PHE HN 5.50 (# 2260:10 Unique 3.36, 5.07 A)
&rst
ixpk= 2260, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 124, 125, 126,
&end
#
# 39 VAL HB 40 PHE HN 5.50 (# 2261:10 Unique 2.91, 3.20 A)
&rst
ixpk= 2261, nxpk= 10, iat= 576, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 PHE HB+ 40 PHE HN 5.50 (# 2262:10 Unique 2.63, 3.25 A)
&rst
ixpk= 2262, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 10 ASN HA 40 PHE HN 7.00 (# 2263:10 Unique 6.17, 6.39 A)
&rst
ixpk= 2263, nxpk= 10, iat= 141, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2264 40 PHE HN 4.50 (# 2264:10 Single Ambig)
&rst
ixpk= 2264, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 574,
&end
#
# 0 AMB 10-2:2265 40 PHE HN 7.00 (# 2265:10 Single Ambig)
&rst
ixpk= 2265, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 610, 109,
&end
#
# 40 PHE HA 40 PHE HN 4.50 (# 2267:10 Unique 2.94, 2.97 A)
&rst
ixpk= 2267, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PRO HB- 120 PHE HN 7.00 (# 2271:10 Unique 4.00, 4.34 A)
&rst
ixpk= 2271, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1819,1820,
&end
#
# 0 AMB 10-2:2272 120 PHE HN 7.00 (# 2272:10 Single Ambig)
&rst
ixpk= 2272, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1846, 178,
&end
#
# 118 ASP HN 120 PHE HN 7.00 (# 2273:10 Unique 5.48, 5.63 A)
&rst
ixpk= 2273, nxpk= 10, iat=1800,1826, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2275 120 PHE HN 7.00 (# 2275:10 Single Ambig)
&rst
ixpk= 2275, nxpk= 10, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1846, 178,
&end
#
# 126 ILE QD1 122 GLY HN 7.00 (# 2276:10 Unique 6.73, 7.10 A)
&rst
ixpk= 2276, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1915,1916,1917,
&end
#
# 0 AMB 10-2:2277 122 GLY HN 7.00 (# 2277:10 Single Ambig)
&rst
ixpk= 2277, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1819,1820,1912,1913,
&end
#
# 126 ILE HG1- 122 GLY HN 7.00 (# 2278:10 Unique 4.49, 5.07 A)
&rst
ixpk= 2278, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1912,1913,
&end
#
# 0 AMB 10-2:2281 122 GLY HN 7.00 (# 2281:10 Single Ambig)
&rst
ixpk= 2281, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1834,1842, 724,
&end
#
# 124 ILE HN 123 SER HN 7.00 (# 2282:10 Unique 4.53, 4.55 A)
&rst
ixpk= 2282, nxpk= 10, iat=1871,1860, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 128 LYS HB+ 125 ASP HN 7.00 (# 2283:10 Unique 4.57, 5.59 A)
&rst
ixpk= 2283, nxpk= 10, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1946,1947,
&end
#
# 123 SER HA 126 ILE HN 7.00 (# 2285:10 Unique 4.60, 4.65 A)
&rst
ixpk= 2285, nxpk= 10, iat=1862,1902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 127 TYR HD2 128 LYS HN 5.50 (# 2296:10 Unique 4.50, 5.06 A)
&rst
ixpk= 2296, nxpk= 10, iat=1929,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2297 91 ILE HN 5.50 (# 2297:10 Single Ambig)
&rst
ixpk= 2297, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,1361,1362,1363,
&end
#
# 90 ILE QG2 91 ILE HN 3.50 (# 2298:10 Unique 3.60, 4.39 A)
&rst
ixpk= 2298, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1354,1355,1356,
&end
#
# 0 AMB 10-2:2300 128 LYS HN 5.50 (# 2300:10 Single Ambig)
&rst
ixpk= 2300, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1884,1885,1886,1877,1878,1879,
&end
#
# 132 ASP HB+ 129 GLN HN 7.00 (# 2301:10 Unique 5.45, 5.81 A)
&rst
ixpk= 2301, nxpk= 10, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2023,2024,
&end
#
# 134 LEU HN 131 ARG HN 5.50 (# 2303:10 Unique 4.66, 4.69 A)
&rst
ixpk= 2303, nxpk= 10, iat=2046,1995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2304 131 ARG HN 7.00 (# 2304:10 Single Ambig)
&rst
ixpk= 2304, nxpk= 10, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1929, 191,
&end
#
# 132 ASP HA 131 ARG HN 7.00 (# 2305:10 Unique 5.31, 5.33 A)
&rst
ixpk= 2305, nxpk= 10, iat=2021,1995, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2306 137 LEU HN 3.50 (# 2306:10 Single Ambig)
&rst
ixpk= 2306, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2097,2082,2033,
&end
#
# 0 AMB 10-2:2307 79 LEU HN 7.00 (# 2307:10 Single Ambig)
&rst
ixpk= 2307, nxpk= 10, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1182,1198,
&end
#
# 82 ALA HN 83 MET HN 7.00 (# 2308:10 Unique 4.45, 4.47 A)
&rst
ixpk= 2308, nxpk= 10, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 103 PHE HN 104 THR HN 7.00 (# 2309:10 Unique 4.31, 4.33 A)
&rst
ixpk= 2309, nxpk= 10, iat=1570,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 LEU HN 104 THR HN 7.00 (# 2310:10 Unique 4.61, 4.63 A)
&rst
ixpk= 2310, nxpk= 10, iat=1604,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 THR HN 105 LEU HN 7.00 (# 2311:10 Unique 4.61, 4.63 A)
&rst
ixpk= 2311, nxpk= 10, iat=1590,1604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 LEU HN 18 GLU HN 7.00 (# 2312:10 Unique 4.22, 4.25 A)
&rst
ixpk= 2312, nxpk= 10, iat= 279, 254, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 ALA HA 55 LEU HN 5.50 (# 2313:10 Unique 3.54, 3.56 A)
&rst
ixpk= 2313, nxpk= 10, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2314 0 AMB 10-1:2314 5.50 (# 2314:10 Double Ambig)
&rst
ixpk= 2314, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 794,1277,
igr2= 792,1309,
&end
#
# 127 TYR QD 51 ALA HN 7.00 (# 2315:10 Unique 4.09, 4.66 A)
&rst
ixpk= 2315, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1929,1938,
&end
#
# 127 TYR QD 52 VAL HN 7.00 (# 2316:10 Unique 5.74, 6.66 A)
&rst
ixpk= 2316, nxpk= 10, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1929,1938,
&end
#
# 0 AMB 10-2:2317 57 GLU HN 5.50 (# 2317:10 Single Ambig)
&rst
ixpk= 2317, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 868, 792,
&end
#
# 0 AMB 10-2:2318 59 HIS HN 5.50 (# 2318:10 Single Ambig)
&rst
ixpk= 2318, nxpk= 10, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 885, 831,
&end
#
# 0 AMB 10-2:2319 51 ALA HN 7.00 (# 2319:10 Single Ambig)
&rst
ixpk= 2319, nxpk= 10, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 767, 782,
&end
#
# 0 AMB 10-2:2320 0 AMB 10-1:2320 5.50 (# 2320:10 Double Ambig)
&rst
ixpk= 2320, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 831, 751,1287,1288,
igr2= 792,1309,
&end
#
# 71 GLU HA 73 LEU HN 7.00 (# 2321:10 Unique 4.18, 4.23 A)
&rst
ixpk= 2321, nxpk= 10, iat=1051,1079, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 71 GLU HN 73 LEU HN 7.00 (# 2322:10 Unique 4.34, 4.37 A)
&rst
ixpk= 2322, nxpk= 10, iat=1049,1079, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 76 SER HN 77 ALA HN 4.50 (# 2323:10 Unique 2.58, 2.67 A)
&rst
ixpk= 2323, nxpk= 10, iat=1130,1141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PRO HD2 48 THR HN 7.00 (# 2324:10 Unique 4.83, 5.07 A)
&rst
ixpk= 2324, nxpk= 10, iat= 711, 696, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
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