NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21510 |
2ho9   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 17 GLN HN 111 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 226,1732, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
&end
#
# 111 LEU HN 17 GLN O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1715, 241, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 19 PHE HN 109 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 258,1702, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 109 LEU HN 19 PHE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1685, 276, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 21 VAL HN 107 ASP- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 297,1667, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 20 LEU HN 31 ILE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 278, 460, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 31 ILE HN 20 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 443, 295, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 22 PHE HN 29 TYR O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 313, 434, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 29 TYR HN 22 PHE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 415, 331, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 27 GLU- HN 24 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 385, 364, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 24 LEU HN 27 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 347, 398, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 30 GLY HN 143 ILE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 436,2217, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 143 ILE HN 28 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2200, 413, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 145 VAL HN 30 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2238, 441, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 133 GLY HN 144 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2059,2236, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 144 LEU HN 133 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2219,2064, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 135 GLY HN 142 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2085,2198, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 142 LEU HN 135 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2181,2090, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 137 LEU HN 140 ARG+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2102,2162, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 140 ARG+ HN 137 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2140,2119, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 57 GLY HN 68 ILE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 878,1061, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 68 ILE HN 57 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1044, 883, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 59 THR HN 66 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 901,1028, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 66 VAL HN 59 THR O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1014, 913, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 61 LEU HN 64 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 929, 993, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 64 VAL HN 61 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 979, 946, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 69 VAL HN 99 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1063,1558, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 99 GLY HN 67 PRO O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1553,1042, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 91 LEU HN 98 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1421,1551, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 98 VAL HN 91 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1537,1438, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 93 LEU HN 96 ARG+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1454,1519, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 96 ARG+ HN 93 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1497,1471, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 75 LEU HN 71 PHE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1175,1108, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 154 GLU- HN 150 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2387,2341, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 155 GLU- HN 151 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2402,2360, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 158 LEU HN 154 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2444,2400, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 159 LEU HN 155 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2463,2415, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 17 GLN N 111 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 225,1732, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 111 LEU N 17 GLN O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1714, 241, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 19 PHE N 109 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 257,1702, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 109 LEU N 19 PHE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1684, 276, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 21 VAL N 107 ASP- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 296,1667, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 20 LEU N 31 ILE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 277, 460, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 31 ILE N 20 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 442, 295, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 22 PHE N 29 TYR O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 312, 434, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 29 TYR N 22 PHE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 414, 331, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 27 GLU- N 24 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 384, 364, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 24 LEU N 27 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 346, 398, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 30 GLY N 143 ILE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 435,2217, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 143 ILE N 28 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2199, 413, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 145 VAL N 30 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2237, 441, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 133 GLY N 144 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2058,2236, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 144 LEU N 133 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2218,2064, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 135 GLY N 142 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2084,2198, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 142 LEU N 135 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2180,2090, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 137 LEU N 140 ARG+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2101,2162, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 140 ARG+ N 137 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2139,2119, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 57 GLY N 68 ILE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 877,1061, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 68 ILE N 57 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1043, 883, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 59 THR N 66 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 900,1028, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 66 VAL N 59 THR O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1013, 913, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 61 LEU N 64 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 928, 993, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 64 VAL N 61 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 978, 946, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 69 VAL N 99 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1062,1558, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 99 GLY N 67 PRO O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1552,1042, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 91 LEU N 98 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1420,1551, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 98 VAL N 91 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1536,1438, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 93 LEU N 96 ARG+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1453,1519, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 96 ARG+ N 93 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1496,1471, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 75 LEU N 71 PHE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1174,1108, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 154 GLU- N 150 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2386,2341, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 155 GLU- N 151 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2401,2360, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 158 LEU N 154 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2443,2400, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 159 LEU N 155 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2462,2415, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 0 AMB 15-2:1 7 VAL HN 3.50 (# 1:15 Single Ambig)
&rst
ixpk= 1, nxpk= 15, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,
&end
#
# 22 PHE HA 107 ASP HN 5.50 (# 3:15 Unique 4.15, 4.25 A)
&rst
ixpk= 3, nxpk= 15, iat= 315,1657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:5 107 ASP HN 2.80 (# 5:15 Single Ambig)
&rst
ixpk= 5, nxpk= 15, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 15-2:6 107 ASP HN 3.50 (# 6:15 Single Ambig)
&rst
ixpk= 6, nxpk= 15, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 287, 288, 289, 291, 292, 293,1675,1676,1677,1679,
1680,1681,1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 15-2:7 0 AMB 15-1:7 3.50 (# 7:15 Double Ambig)
&rst
ixpk= 7, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 91,1634, 301,
igr2= 87,1657,
&end
#
# 107 ASP HB- 107 ASP HN 3.50 (# 8:15 Unique 3.12, 3.23 A)
&rst
ixpk= 8, nxpk= 15, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1661,1662,
&end
#
# 107 ASP HB+ 107 ASP HN 4.50 (# 9:15 Unique 3.12, 3.23 A)
&rst
ixpk= 9, nxpk= 15, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1661,1662,
&end
#
# 0 AMB 15-2:10 107 ASP HN 2.80 (# 10:15 Single Ambig)
&rst
ixpk= 10, nxpk= 15, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1650,1651,1650,1651,
&end
#
# 7 VAL HA 7 VAL HN 4.50 (# 11:15 Unique 2.15, 2.82 A)
&rst
ixpk= 11, nxpk= 15, iat= 89, 87, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:12 0 AMB 15-1:12 2.80 (# 12:15 Double Ambig)
&rst
ixpk= 12, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 75,1659,
igr2= 87,1657,
&end
#
# 21 VAL HA 107 ASP HN 5.50 (# 14:15 Unique 4.84, 4.93 A)
&rst
ixpk= 14, nxpk= 15, iat= 299,1657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:15 0 AMB 15-1:15 5.50 (# 15:15 Double Ambig)
&rst
ixpk= 15, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 73, 297,
igr2= 87,1657,
&end
#
# 106 SER HN 107 ASP HN 3.50 (# 16:15 Unique 2.55, 2.64 A)
&rst
ixpk= 16, nxpk= 15, iat=1646,1657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:17 8 THR HN 5.50 (# 17:15 Single Ambig)
&rst
ixpk= 17, nxpk= 15, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,
&end
#
# 8 THR MG2 8 THR HN 5.50 (# 18:15 Unique 2.40, 4.35 A)
&rst
ixpk= 18, nxpk= 15, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 109, 110, 111,
&end
#
# 0 AMB 15-2:19 8 THR HN 3.50 (# 19:15 Single Ambig)
&rst
ixpk= 19, nxpk= 15, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 105, 89,
&end
#
# 7 VAL HB 8 THR HN 5.50 (# 22:15 Unique 2.10, 2.99 A)
&rst
ixpk= 22, nxpk= 15, iat= 91, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:23 9 LYS HN 3.50 (# 23:15 Single Ambig)
&rst
ixpk= 23, nxpk= 15, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 121, 122, 127, 128, 127, 128,
&end
#
# 0 AMB 15-2:29 10 LEU HN 2.80 (# 29:15 Single Ambig)
&rst
ixpk= 29, nxpk= 15, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 119, 141,
&end
#
# 9 LYS HB+ 10 LEU HN 5.50 (# 30:15 Unique 1.99, 3.79 A)
&rst
ixpk= 30, nxpk= 15, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 121, 122,
&end
#
# 10 LEU HB+ 10 LEU HN 3.50 (# 31:15 Unique 2.22, 2.88 A)
&rst
ixpk= 31, nxpk= 15, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 143, 144,
&end
#
# 10 LEU MDX 10 LEU HN 5.50 (# 32:15 Unique 1.96, 4.64 A)
&rst
ixpk= 32, nxpk= 15, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 148, 149, 150, 152, 153, 154,
&end
#
# 13 GLU HB- 10 LEU HN 5.50 (# 33:15 Unique 3.40, 6.46 A)
&rst
ixpk= 33, nxpk= 15, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 183, 184,
&end
#
# 0 AMB 15-2:37 11 ALA HN 2.80 (# 37:15 Single Ambig)
&rst
ixpk= 37, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 160, 141,
&end
#
# 0 AMB 15-2:38 11 ALA HN 3.50 (# 38:15 Single Ambig)
&rst
ixpk= 38, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 143, 144, 143, 144,
&end
#
# 0 AMB 15-2:39 11 ALA HN 3.50 (# 39:15 Single Ambig)
&rst
ixpk= 39, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 124, 125, 124, 125,
&end
#
# 0 AMB 15-2:40 12 SER HN 5.50 (# 40:15 Single Ambig)
&rst
ixpk= 40, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 162, 163, 164, 124, 125, 124, 125,
&end
#
# 0 AMB 15-2:41 12 SER HN 5.50 (# 41:15 Single Ambig)
&rst
ixpk= 41, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 172, 173, 172, 173,
&end
#
# 0 AMB 15-2:42 12 SER HN 4.50 (# 42:15 Single Ambig)
&rst
ixpk= 42, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 141,
&end
#
# 13 GLU HN 12 SER HN 5.50 (# 45:15 Unique 1.78, 2.73 A)
&rst
ixpk= 45, nxpk= 15, iat= 179, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLU HB- 13 GLU HN 3.50 (# 47:15 Unique 2.22, 3.05 A)
&rst
ixpk= 47, nxpk= 15, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 183, 184,
&end
#
# 13 GLU HB+ 13 GLU HN 5.50 (# 48:15 Unique 2.22, 3.05 A)
&rst
ixpk= 48, nxpk= 15, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 183, 184,
&end
#
# 0 AMB 15-2:49 13 GLU HN 4.50 (# 49:15 Single Ambig)
&rst
ixpk= 49, nxpk= 15, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 186, 187, 186, 187,
&end
#
# 14 PRO HD- 13 GLU HN 5.50 (# 50:15 Unique 3.21, 4.78 A)
&rst
ixpk= 50, nxpk= 15, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 196,
&end
#
# 0 AMB 15-2:51 13 GLU HN 4.50 (# 51:15 Single Ambig)
&rst
ixpk= 51, nxpk= 15, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 172, 173, 172, 173, 195, 196,
&end
#
# 0 AMB 15-2:52 13 GLU HN 5.50 (# 52:15 Single Ambig)
&rst
ixpk= 52, nxpk= 15, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 160, 119, 141,
&end
#
# 12 SER HA 13 GLU HN 2.80 (# 53:15 Unique 2.19, 3.16 A)
&rst
ixpk= 53, nxpk= 15, iat= 170, 179, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 GLU HA 13 GLU HN 3.50 (# 55:15 Unique 2.28, 2.83 A)
&rst
ixpk= 55, nxpk= 15, iat= 181, 179, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLY HN 15 SER HN 4.50 (# 57:15 Unique 2.47, 4.19 A)
&rst
ixpk= 57, nxpk= 15, iat= 219, 208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:64 15 SER HN 2.80 (# 64:15 Single Ambig)
&rst
ixpk= 64, nxpk= 15, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 210, 204,
&end
#
# 0 AMB 15-2:66 15 SER HN 5.50 (# 66:15 Single Ambig)
&rst
ixpk= 66, nxpk= 15, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 221, 222,1750,
&end
#
# 15 SER HB- 15 SER HN 3.50 (# 67:15 Unique 2.42, 3.16 A)
&rst
ixpk= 67, nxpk= 15, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 212, 213,
&end
#
# 0 AMB 15-2:68 15 SER HN 5.50 (# 68:15 Single Ambig)
&rst
ixpk= 68, nxpk= 15, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 201, 202, 186, 187, 186, 187,
&end
#
# 14 PRO HB- 15 SER HN 4.50 (# 69:15 Unique 1.78, 3.38 A)
&rst
ixpk= 69, nxpk= 15, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 201, 202,
&end
#
# 112 THR MG2 16 GLY HN 5.50 (# 70:15 Unique 1.97, 4.38 A)
&rst
ixpk= 70, nxpk= 15, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1740,1741,1742,
&end
#
# 0 AMB 15-2:71 16 GLY HN 5.50 (# 71:15 Single Ambig)
&rst
ixpk= 71, nxpk= 15, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 201, 202, 198, 199,
&end
#
# 16 GLY HA- 16 GLY HN 2.80 (# 73:15 Unique 2.20, 2.61 A)
&rst
ixpk= 73, nxpk= 15, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 221, 222,
&end
#
# 16 GLY HA+ 16 GLY HN 2.80 (# 74:15 Unique 2.20, 2.61 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 221, 222,
&end
#
# 15 SER HA 16 GLY HN 2.80 (# 76:15 Unique 2.12, 2.39 A)
&rst
ixpk= 76, nxpk= 15, iat= 210, 219, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 THR HA 16 GLY HN 5.50 (# 77:15 Unique 1.95, 4.10 A)
&rst
ixpk= 77, nxpk= 15, iat=1736, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 SER HN 16 GLY HN 4.50 (# 79:15 Unique 2.47, 4.19 A)
&rst
ixpk= 79, nxpk= 15, iat= 208, 219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LEU HN 17 GLN HN 3.50 (# 80:15 Unique 3.08, 3.48 A)
&rst
ixpk= 80, nxpk= 15, iat=1715, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLU HN 17 GLN HN 4.50 (# 81:15 Unique 4.32, 4.45 A)
&rst
ixpk= 81, nxpk= 15, iat= 243, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 GLN HE2+ 17 GLN HN 5.50 (# 82:15 Unique 3.74, 5.15 A)
&rst
ixpk= 82, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 238, 239,
&end
#
# 19 PHE HE 17 GLN HN 5.50 (# 83:15 Unique 2.82, 5.61 A)
&rst
ixpk= 83, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 110 SER HA 17 GLN HN 5.50 (# 84:15 Unique 4.58, 5.08 A)
&rst
ixpk= 84, nxpk= 15, iat=1706, 226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:85 17 GLN HN 5.50 (# 85:15 Single Ambig)
&rst
ixpk= 85, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245,1717,
&end
#
# 112 THR HA 17 GLN HN 4.50 (# 87:15 Unique 2.41, 2.93 A)
&rst
ixpk= 87, nxpk= 15, iat=1736, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 GLN HA 17 GLN HN 2.80 (# 88:15 Unique 2.91, 2.96 A)
&rst
ixpk= 88, nxpk= 15, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 GLY HA+ 17 GLN HN 2.80 (# 89:15 Unique 2.13, 2.81 A)
&rst
ixpk= 89, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 221, 222,
&end
#
# 16 GLY HA- 17 GLN HN 2.80 (# 90:15 Unique 2.13, 2.81 A)
&rst
ixpk= 90, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 221, 222,
&end
#
# 110 SER HB+ 17 GLN HN 5.50 (# 91:15 Unique 4.11, 5.35 A)
&rst
ixpk= 91, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1708,1709,
&end
#
# 17 GLN HG+ 17 GLN HN 4.50 (# 92:15 Unique 2.52, 3.64 A)
&rst
ixpk= 92, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 233, 234,
&end
#
# 17 GLN HG- 17 GLN HN 4.50 (# 93:15 Unique 2.52, 3.64 A)
&rst
ixpk= 93, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 233, 234,
&end
#
# 17 GLN HB+ 17 GLN HN 2.80 (# 94:15 Unique 2.18, 3.02 A)
&rst
ixpk= 94, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 230, 231,
&end
#
# 17 GLN HB- 17 GLN HN 2.80 (# 95:15 Unique 2.18, 3.02 A)
&rst
ixpk= 95, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 230, 231,
&end
#
# 0 AMB 15-2:96 17 GLN HN 5.50 (# 96:15 Single Ambig)
&rst
ixpk= 96, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1719,1720,1719,1720,
&end
#
# 112 THR MG2 17 GLN HN 5.50 (# 98:15 Unique 3.84, 5.32 A)
&rst
ixpk= 98, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1740,1741,1742,
&end
#
# 0 AMB 15-2:99 17 GLN HN 5.50 (# 99:15 Single Ambig)
&rst
ixpk= 99, nxpk= 15, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1803,1804,1805,1724,1725,1726,1728,1729,1730,
&end
#
# 19 PHE HN 18 GLU HN 5.50 (# 100:15 Unique 4.24, 4.32 A)
&rst
ixpk= 100, nxpk= 15, iat= 258, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HN 18 GLU HN 5.50 (# 101:15 Unique 4.32, 4.45 A)
&rst
ixpk= 101, nxpk= 15, iat= 226, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HE 18 GLU HN 5.50 (# 102:15 Unique 4.03, 5.49 A)
&rst
ixpk= 102, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 110 SER HA 18 GLU HN 5.50 (# 103:15 Unique 4.55, 4.58 A)
&rst
ixpk= 103, nxpk= 15, iat=1706, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HA 18 GLU HN 3.50 (# 104:15 Unique 2.93, 2.95 A)
&rst
ixpk= 104, nxpk= 15, iat= 245, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLN HA 18 GLU HN 2.80 (# 105:15 Unique 2.04, 2.40 A)
&rst
ixpk= 105, nxpk= 15, iat= 228, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 GLN HG+ 18 GLU HN 4.50 (# 108:15 Unique 3.33, 4.09 A)
&rst
ixpk= 108, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 233, 234,
&end
#
# 0 AMB 15-2:109 18 GLU HN 4.50 (# 109:15 Single Ambig)
&rst
ixpk= 109, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 233, 234, 250, 251,
&end
#
# 17 GLN HB+ 18 GLU HN 3.50 (# 110:15 Unique 2.09, 2.91 A)
&rst
ixpk= 110, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 230, 231,
&end
#
# 0 AMB 15-2:111 18 GLU HN 3.50 (# 111:15 Single Ambig)
&rst
ixpk= 111, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 230, 231, 247, 248,
&end
#
# 18 GLU HB- 18 GLU HN 3.50 (# 112:15 Unique 2.37, 2.87 A)
&rst
ixpk= 112, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 247, 248,
&end
#
# 0 AMB 15-2:113 18 GLU HN 5.50 (# 113:15 Single Ambig)
&rst
ixpk= 113, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 478, 497, 498, 519, 520, 519, 520,1689,1690,
&end
#
# 0 AMB 15-2:114 18 GLU HN 5.50 (# 114:15 Single Ambig)
&rst
ixpk= 114, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 484, 485, 484, 485, 519, 520,
&end
#
# 33 ILE QG2 18 GLU HN 4.50 (# 115:15 Unique 3.44, 4.42 A)
&rst
ixpk= 115, nxpk= 15, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 480, 481, 482,
&end
#
# 109 LEU HN 19 PHE HN 4.50 (# 116:15 Unique 2.82, 2.87 A)
&rst
ixpk= 116, nxpk= 15, iat=1685, 258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LEU HN 19 PHE HN 5.50 (# 117:15 Unique 4.55, 4.59 A)
&rst
ixpk= 117, nxpk= 15, iat=1715, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 19 PHE HN 5.50 (# 118:15 Unique 4.24, 4.32 A)
&rst
ixpk= 118, nxpk= 15, iat= 243, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HE 19 PHE HN 5.50 (# 119:15 Unique 4.38, 5.72 A)
&rst
ixpk= 119, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 19 PHE HD 19 PHE HN 3.50 (# 120:15 Unique 2.45, 3.93 A)
&rst
ixpk= 120, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 266, 274,
&end
#
# 110 SER HA 19 PHE HN 3.50 (# 121:15 Unique 2.88, 3.08 A)
&rst
ixpk= 121, nxpk= 15, iat=1706, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:122 19 PHE HN 2.80 (# 122:15 Single Ambig)
&rst
ixpk= 122, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 245, 260,
&end
#
# 108 VAL HA 19 PHE HN 4.50 (# 123:15 Unique 4.44, 4.52 A)
&rst
ixpk= 123, nxpk= 15, iat=1671, 258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HB+ 19 PHE HN 4.50 (# 124:15 Unique 2.63, 3.27 A)
&rst
ixpk= 124, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 19 PHE HB- 19 PHE HN 3.50 (# 125:15 Unique 2.63, 3.27 A)
&rst
ixpk= 125, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 262, 263,
&end
#
# 18 GLU HG+ 19 PHE HN 5.50 (# 126:15 Unique 2.78, 2.95 A)
&rst
ixpk= 126, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,
&end
#
# 18 GLU HG- 19 PHE HN 4.50 (# 127:15 Unique 2.78, 2.95 A)
&rst
ixpk= 127, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 250, 251,
&end
#
# 0 AMB 15-2:128 19 PHE HN 4.50 (# 128:15 Single Ambig)
&rst
ixpk= 128, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 247, 248, 230, 231,
&end
#
# 18 GLU HB- 19 PHE HN 4.50 (# 129:15 Unique 4.10, 4.21 A)
&rst
ixpk= 129, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 247, 248,
&end
#
# 0 AMB 15-2:130 19 PHE HN 4.50 (# 130:15 Single Ambig)
&rst
ixpk= 130, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 478,1689,1690,1692,
&end
#
# 0 AMB 15-2:131 19 PHE HN 5.50 (# 131:15 Single Ambig)
&rst
ixpk= 131, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1675,1676,1677,1679,1680,1681, 480, 481, 482,
&end
#
# 0 AMB 15-2:132 19 PHE HN 3.50 (# 132:15 Single Ambig)
&rst
ixpk= 132, nxpk= 15, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1675,1676,1677,1679,1680,1681,1694,1695,1696,1698,
1699,1700,1694,1695,1696,1698,1699,1700,
&end
#
# 31 ILE HN 20 LEU HN 4.50 (# 133:15 Unique 2.81, 2.91 A)
&rst
ixpk= 133, nxpk= 15, iat= 443, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 ILE HN 20 LEU HN 5.50 (# 134:15 Unique 3.50, 3.59 A)
&rst
ixpk= 134, nxpk= 15, iat= 474, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HD 20 LEU HN 4.50 (# 135:15 Unique 3.75, 5.00 A)
&rst
ixpk= 135, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 266, 274,
&end
#
# 30 GLY HA+ 20 LEU HN 5.50 (# 136:15 Unique 4.51, 4.96 A)
&rst
ixpk= 136, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 19 PHE HA 20 LEU HN 2.80 (# 137:15 Unique 2.12, 2.17 A)
&rst
ixpk= 137, nxpk= 15, iat= 260, 278, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 LEU HA 20 LEU HN 4.50 (# 138:15 Unique 2.95, 2.98 A)
&rst
ixpk= 138, nxpk= 15, iat= 280, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:139 20 LEU HN 4.50 (# 139:15 Single Ambig)
&rst
ixpk= 139, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 476, 464,
&end
#
# 19 PHE HB+ 20 LEU HN 4.50 (# 140:15 Unique 2.83, 3.48 A)
&rst
ixpk= 140, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 19 PHE HB- 20 LEU HN 5.50 (# 141:15 Unique 2.83, 3.48 A)
&rst
ixpk= 141, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 262, 263,
&end
#
# 0 AMB 15-2:142 20 LEU HN 3.50 (# 142:15 Single Ambig)
&rst
ixpk= 142, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 447, 453, 454,1673,
&end
#
# 20 LEU HB+ 20 LEU HN 3.50 (# 143:15 Unique 2.25, 2.54 A)
&rst
ixpk= 143, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 282, 283,
&end
#
# 20 LEU HG 20 LEU HN 5.50 (# 144:15 Unique 4.28, 4.31 A)
&rst
ixpk= 144, nxpk= 15, iat= 285, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:145 20 LEU HN 3.50 (# 145:15 Single Ambig)
&rst
ixpk= 145, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 282, 283, 478,
&end
#
# 0 AMB 15-2:146 20 LEU HN 5.50 (# 146:15 Single Ambig)
&rst
ixpk= 146, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309, 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 15-2:147 20 LEU HN 4.50 (# 147:15 Single Ambig)
&rst
ixpk= 147, nxpk= 15, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 487, 488, 489,1675,1676,1677,1679,1680,1681, 287,
288, 289, 291, 292, 293, 287, 288, 289, 291, 292,
293,
&end
#
# 20 LEU HN 21 VAL HN 5.50 (# 148:15 Unique 4.35, 4.49 A)
&rst
ixpk= 148, nxpk= 15, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:149 21 VAL HN 5.50 (# 149:15 Single Ambig)
&rst
ixpk= 149, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1685, 443,
&end
#
# 107 ASP HN 21 VAL HN 4.50 (# 150:15 Unique 2.90, 3.00 A)
&rst
ixpk= 150, nxpk= 15, iat=1657, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HA 21 VAL HN 4.50 (# 151:15 Unique 2.91, 2.95 A)
&rst
ixpk= 151, nxpk= 15, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 VAL HA 21 VAL HN 3.50 (# 152:15 Unique 2.71, 2.98 A)
&rst
ixpk= 152, nxpk= 15, iat=1671, 297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HA 21 VAL HN 2.80 (# 153:15 Unique 2.22, 2.29 A)
&rst
ixpk= 153, nxpk= 15, iat= 280, 297, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:154 21 VAL HN 5.50 (# 154:15 Single Ambig)
&rst
ixpk= 154, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1650,1651,1650,1651,
&end
#
# 0 AMB 15-2:155 21 VAL HN 3.50 (# 155:15 Single Ambig)
&rst
ixpk= 155, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 301,1634,
&end
#
# 0 AMB 15-2:156 21 VAL HN 5.50 (# 156:15 Single Ambig)
&rst
ixpk= 156, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 282, 283,1673,
&end
#
# 20 LEU HG 21 VAL HN 4.50 (# 157:15 Unique 2.83, 3.16 A)
&rst
ixpk= 157, nxpk= 15, iat= 285, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:158 21 VAL HN 5.50 (# 158:15 Single Ambig)
&rst
ixpk= 158, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 282, 283,1692,1689,1690,1689,1690,
&end
#
# 0 AMB 15-2:159 21 VAL HN 2.80 (# 159:15 Single Ambig)
&rst
ixpk= 159, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 287, 288, 289, 291, 292, 293, 287, 288, 289, 291,
292, 293,
&end
#
# 0 AMB 15-2:160 21 VAL HN 4.50 (# 160:15 Single Ambig)
&rst
ixpk= 160, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 15-2:161 21 VAL HN 5.50 (# 161:15 Single Ambig)
&rst
ixpk= 161, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,1399,1400,1401,
&end
#
# 29 TYR HN 22 PHE HN 4.50 (# 163:15 Unique 2.61, 2.75 A)
&rst
ixpk= 163, nxpk= 15, iat= 415, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 PHE HD 22 PHE HN 4.50 (# 164:15 Unique 2.75, 3.75 A)
&rst
ixpk= 164, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 329,
&end
#
# 22 PHE HE 22 PHE HN 5.50 (# 165:15 Unique 4.55, 5.24 A)
&rst
ixpk= 165, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 0 AMB 15-2:166 22 PHE HN 3.50 (# 166:15 Single Ambig)
&rst
ixpk= 166, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 315, 438, 439,
&end
#
# 21 VAL HA 22 PHE HN 2.80 (# 167:15 Unique 2.21, 2.25 A)
&rst
ixpk= 167, nxpk= 15, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 105 VAL HA 22 PHE HN 5.50 (# 168:15 Unique 4.55, 4.66 A)
&rst
ixpk= 168, nxpk= 15, iat=1632, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLU HA 22 PHE HN 5.50 (# 169:15 Unique 4.19, 4.36 A)
&rst
ixpk= 169, nxpk= 15, iat= 402, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:170 22 PHE HN 5.50 (# 170:15 Single Ambig)
&rst
ixpk= 170, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 318,1650,1651,1650,1651,
&end
#
# 30 GLY HA- 22 PHE HN 5.50 (# 171:15 Unique 3.44, 4.29 A)
&rst
ixpk= 171, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 22 PHE HB- 22 PHE HN 5.50 (# 172:15 Unique 3.23, 3.59 A)
&rst
ixpk= 172, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 317, 318,
&end
#
# 21 VAL HB 22 PHE HN 5.50 (# 173:15 Unique 2.61, 3.55 A)
&rst
ixpk= 173, nxpk= 15, iat= 301, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:174 22 PHE HN 2.80 (# 174:15 Single Ambig)
&rst
ixpk= 174, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 15-2:175 22 PHE HN 5.50 (# 175:15 Single Ambig)
&rst
ixpk= 175, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 106 SER HN 23 THR HN 3.50 (# 176:15 Unique 3.51, 3.53 A)
&rst
ixpk= 176, nxpk= 15, iat=1646, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TYR HN 23 THR HN 5.50 (# 177:15 Unique 4.97, 5.07 A)
&rst
ixpk= 177, nxpk= 15, iat= 415, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HN 23 THR HN 5.50 (# 178:15 Unique 4.52, 4.56 A)
&rst
ixpk= 178, nxpk= 15, iat= 347, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ASP HN 23 THR HN 5.50 (# 179:15 Unique 4.31, 4.80 A)
&rst
ixpk= 179, nxpk= 15, iat=1611, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLY HN 23 THR HN 3.50 (# 180:15 Unique 2.99, 3.22 A)
&rst
ixpk= 180, nxpk= 15, iat=1623, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 PHE HD 23 THR HN 4.50 (# 181:15 Unique 3.20, 4.69 A)
&rst
ixpk= 181, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 329,
&end
#
# 22 PHE HA 23 THR HN 2.80 (# 183:15 Unique 2.16, 2.22 A)
&rst
ixpk= 183, nxpk= 15, iat= 315, 333, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 THR HA 23 THR HN 4.50 (# 184:15 Unique 2.92, 2.96 A)
&rst
ixpk= 184, nxpk= 15, iat= 335, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HA 23 THR HN 3.50 (# 185:15 Unique 3.44, 3.51 A)
&rst
ixpk= 185, nxpk= 15, iat=1632, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:186 23 THR HN 5.50 (# 186:15 Single Ambig)
&rst
ixpk= 186, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 402, 349,1613,
&end
#
# 23 THR HB 23 THR HN 3.50 (# 187:15 Unique 2.44, 2.48 A)
&rst
ixpk= 187, nxpk= 15, iat= 337, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 PHE HB+ 23 THR HN 3.50 (# 188:15 Unique 2.54, 3.34 A)
&rst
ixpk= 188, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 317, 318,
&end
#
# 22 PHE HB- 23 THR HN 3.50 (# 189:15 Unique 2.54, 3.34 A)
&rst
ixpk= 189, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 317, 318,
&end
#
# 102 VAL HB 23 THR HN 5.50 (# 190:15 Unique 4.04, 5.04 A)
&rst
ixpk= 190, nxpk= 15, iat=1599, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:191 23 THR HN 5.50 (# 191:15 Single Ambig)
&rst
ixpk= 191, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1636,1637,1638,1640,1641,1642, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 15-2:192 23 THR HN 4.50 (# 192:15 Single Ambig)
&rst
ixpk= 192, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 339, 340, 341,1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 15-2:193 23 THR HN 5.50 (# 193:15 Single Ambig)
&rst
ixpk= 193, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309, 419, 420,
&end
#
# 102 VAL MGX 23 THR HN 4.50 (# 194:15 Unique 3.71, 6.09 A)
&rst
ixpk= 194, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 89 ILE QD1 23 THR HN 5.50 (# 195:15 Unique 5.34, 6.71 A)
&rst
ixpk= 195, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1399,1400,1401,
&end
#
# 102 VAL MGY 23 THR HN 5.50 (# 196:15 Unique 3.71, 6.09 A)
&rst
ixpk= 196, nxpk= 15, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 25 GLY HN 24 LEU HN 5.50 (# 197:15 Unique 3.18, 3.50 A)
&rst
ixpk= 197, nxpk= 15, iat= 366, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HN 24 LEU HN 5.50 (# 198:15 Unique 4.61, 4.86 A)
&rst
ixpk= 198, nxpk= 15, iat= 415, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:199 24 LEU HN 5.50 (# 199:15 Single Ambig)
&rst
ixpk= 199, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 373, 333,
&end
#
# 27 GLU HN 24 LEU HN 4.50 (# 200:15 Unique 2.78, 3.31 A)
&rst
ixpk= 200, nxpk= 15, iat= 385, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:201 24 LEU HN 5.50 (# 201:15 Single Ambig)
&rst
ixpk= 201, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 329,1218,1219,
&end
#
# 29 TYR HD 24 LEU HN 3.50 (# 202:15 Unique 3.08, 6.16 A)
&rst
ixpk= 202, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 423, 432,
&end
#
# 23 THR HA 24 LEU HN 2.80 (# 203:15 Unique 2.21, 2.26 A)
&rst
ixpk= 203, nxpk= 15, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:204 24 LEU HN 2.80 (# 204:15 Single Ambig)
&rst
ixpk= 204, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 349, 402,
&end
#
# 23 THR HB 24 LEU HN 4.50 (# 205:15 Unique 3.83, 3.97 A)
&rst
ixpk= 205, nxpk= 15, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:206 24 LEU HN 5.50 (# 206:15 Single Ambig)
&rst
ixpk= 206, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1615,1616,1615,1616,
&end
#
# 0 AMB 15-2:207 24 LEU HN 5.50 (# 207:15 Single Ambig)
&rst
ixpk= 207, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 389, 390, 407, 408, 392, 393,
&end
#
# 0 AMB 15-2:208 24 LEU HN 4.50 (# 208:15 Single Ambig)
&rst
ixpk= 208, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 351, 352, 407, 408,
&end
#
# 0 AMB 15-2:209 24 LEU HN 3.50 (# 209:15 Single Ambig)
&rst
ixpk= 209, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 351, 352, 389, 390,
&end
#
# 23 THR MG2 24 LEU HN 3.50 (# 210:15 Unique 2.55, 3.20 A)
&rst
ixpk= 210, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 339, 340, 341,
&end
#
# 24 LEU MDY 24 LEU HN 5.50 (# 211:15 Unique 4.46, 5.47 A)
&rst
ixpk= 211, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 26 ASP HN 25 GLY HN 4.50 (# 213:15 Unique 2.85, 3.45 A)
&rst
ixpk= 213, nxpk= 15, iat= 373, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 25 GLY HN 5.50 (# 214:15 Unique 3.18, 3.50 A)
&rst
ixpk= 214, nxpk= 15, iat= 347, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:215 25 GLY HN 5.50 (# 215:15 Single Ambig)
&rst
ixpk= 215, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1611,1267,
&end
#
# 77 GLN HE2+ 25 GLY HN 5.50 (# 216:15 Unique 2.51, 4.55 A)
&rst
ixpk= 216, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1219,
&end
#
# 77 GLN HE2- 25 GLY HN 5.50 (# 217:15 Unique 2.51, 4.55 A)
&rst
ixpk= 217, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1219,
&end
#
# 24 LEU HA 25 GLY HN 2.80 (# 218:15 Unique 2.14, 2.28 A)
&rst
ixpk= 218, nxpk= 15, iat= 349, 366, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:219 25 GLY HN 5.50 (# 219:15 Single Ambig)
&rst
ixpk= 219, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 375,1597,
&end
#
# 25 GLY HA+ 25 GLY HN 2.80 (# 220:15 Unique 2.27, 2.58 A)
&rst
ixpk= 220, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 368, 369,
&end
#
# 25 GLY HA- 25 GLY HN 2.80 (# 221:15 Unique 2.27, 2.58 A)
&rst
ixpk= 221, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 368, 369,
&end
#
# 0 AMB 15-2:222 25 GLY HN 3.50 (# 222:15 Single Ambig)
&rst
ixpk= 222, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1615,1616,1615,1616,
&end
#
# 24 LEU HB+ 25 GLY HN 5.50 (# 223:15 Unique 4.28, 4.53 A)
&rst
ixpk= 223, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 352,
&end
#
# 0 AMB 15-2:224 25 GLY HN 5.50 (# 224:15 Single Ambig)
&rst
ixpk= 224, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 351, 352, 389, 390,
&end
#
# 23 THR MG2 25 GLY HN 5.50 (# 225:15 Unique 2.35, 4.13 A)
&rst
ixpk= 225, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 339, 340, 341,
&end
#
# 24 LEU MDX 25 GLY HN 4.50 (# 226:15 Unique 2.65, 5.31 A)
&rst
ixpk= 226, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 24 LEU MDY 25 GLY HN 5.50 (# 227:15 Unique 2.65, 5.31 A)
&rst
ixpk= 227, nxpk= 15, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 25 GLY HN 26 ASP HN 4.50 (# 229:15 Unique 2.85, 3.45 A)
&rst
ixpk= 229, nxpk= 15, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HN 26 ASP HN 3.50 (# 230:15 Unique 1.73, 1.80 A)
&rst
ixpk= 230, nxpk= 15, iat= 385, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:231 26 ASP HN 5.50 (# 231:15 Single Ambig)
&rst
ixpk= 231, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 349, 402,
&end
#
# 26 ASP HA 26 ASP HN 3.50 (# 232:15 Unique 2.22, 2.86 A)
&rst
ixpk= 232, nxpk= 15, iat= 375, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLY HA+ 26 ASP HN 2.80 (# 233:15 Unique 2.47, 3.09 A)
&rst
ixpk= 233, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 368, 369,
&end
#
# 25 GLY HA- 26 ASP HN 2.80 (# 234:15 Unique 2.47, 3.09 A)
&rst
ixpk= 234, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 368, 369,
&end
#
# 26 ASP HB+ 26 ASP HN 4.50 (# 235:15 Unique 2.84, 3.22 A)
&rst
ixpk= 235, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 377, 378,
&end
#
# 26 ASP HB- 26 ASP HN 3.50 (# 236:15 Unique 2.84, 3.22 A)
&rst
ixpk= 236, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 377, 378,
&end
#
# 0 AMB 15-2:237 26 ASP HN 5.50 (# 237:15 Single Ambig)
&rst
ixpk= 237, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 392, 393, 392, 393,
&end
#
# 23 THR MG2 26 ASP HN 5.50 (# 238:15 Unique 3.31, 4.51 A)
&rst
ixpk= 238, nxpk= 15, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 339, 340, 341,
&end
#
# 26 ASP HN 27 GLU HN 2.80 (# 239:15 Unique 1.73, 1.80 A)
&rst
ixpk= 239, nxpk= 15, iat= 373, 385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 LEU HN 27 GLU HN 4.50 (# 240:15 Unique 2.78, 3.31 A)
&rst
ixpk= 240, nxpk= 15, iat= 347, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLY HN 27 GLU HN 5.50 (# 241:15 Unique 4.27, 4.74 A)
&rst
ixpk= 241, nxpk= 15, iat= 366, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 27 GLU HN 5.50 (# 242:15 Unique 4.67, 7.18 A)
&rst
ixpk= 242, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 432,
&end
#
# 23 THR HA 27 GLU HN 5.50 (# 243:15 Unique 4.27, 5.12 A)
&rst
ixpk= 243, nxpk= 15, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:244 27 GLU HN 4.50 (# 244:15 Single Ambig)
&rst
ixpk= 244, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 402, 349,
&end
#
# 26 ASP HA 27 GLU HN 2.80 (# 245:15 Unique 2.90, 3.51 A)
&rst
ixpk= 245, nxpk= 15, iat= 375, 385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 GLU HA 27 GLU HN 2.80 (# 247:15 Unique 2.86, 2.88 A)
&rst
ixpk= 247, nxpk= 15, iat= 387, 385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 GLY HA+ 27 GLU HN 4.50 (# 248:15 Unique 3.99, 4.69 A)
&rst
ixpk= 248, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 368, 369,
&end
#
# 25 GLY HA- 27 GLU HN 5.50 (# 249:15 Unique 3.99, 4.69 A)
&rst
ixpk= 249, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 368, 369,
&end
#
# 26 ASP HB+ 27 GLU HN 5.50 (# 250:15 Unique 2.96, 3.76 A)
&rst
ixpk= 250, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 377, 378,
&end
#
# 26 ASP HB- 27 GLU HN 4.50 (# 251:15 Unique 2.96, 3.76 A)
&rst
ixpk= 251, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 377, 378,
&end
#
# 0 AMB 15-2:253 27 GLU HN 2.80 (# 253:15 Single Ambig)
&rst
ixpk= 253, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 389, 390, 392, 393, 392, 393,
&end
#
# 28 GLU HG- 27 GLU HN 5.50 (# 254:15 Unique 4.93, 5.89 A)
&rst
ixpk= 254, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 407, 408,
&end
#
# 27 GLU HB- 27 GLU HN 2.80 (# 255:15 Unique 2.12, 2.58 A)
&rst
ixpk= 255, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 389, 390,
&end
#
# 23 THR MG2 27 GLU HN 4.50 (# 256:15 Unique 3.41, 4.98 A)
&rst
ixpk= 256, nxpk= 15, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 339, 340, 341,
&end
#
# 29 TYR HN 28 GLU HN 5.50 (# 259:15 Unique 4.29, 4.36 A)
&rst
ixpk= 259, nxpk= 15, iat= 415, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HN 28 GLU HN 4.50 (# 260:15 Unique 4.31, 4.51 A)
&rst
ixpk= 260, nxpk= 15, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 TYR HD 28 GLU HN 5.50 (# 261:15 Unique 3.79, 5.60 A)
&rst
ixpk= 261, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 432,
&end
#
# 23 THR HA 28 GLU HN 5.50 (# 262:15 Unique 4.85, 4.96 A)
&rst
ixpk= 262, nxpk= 15, iat= 335, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLU HA 28 GLU HN 4.50 (# 263:15 Unique 2.93, 2.97 A)
&rst
ixpk= 263, nxpk= 15, iat= 402, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLU HA 28 GLU HN 2.80 (# 264:15 Unique 2.42, 2.50 A)
&rst
ixpk= 264, nxpk= 15, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:265 28 GLU HN 3.50 (# 265:15 Single Ambig)
&rst
ixpk= 265, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 389, 390, 392, 393, 392, 393,
&end
#
# 28 GLU HB+ 28 GLU HN 3.50 (# 266:15 Unique 2.36, 3.21 A)
&rst
ixpk= 266, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 0 AMB 15-2:267 28 GLU HN 4.50 (# 267:15 Single Ambig)
&rst
ixpk= 267, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 407, 408, 351, 352,
&end
#
# 27 GLU HB- 28 GLU HN 3.50 (# 268:15 Unique 2.04, 3.62 A)
&rst
ixpk= 268, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 389, 390,
&end
#
# 28 GLU HB- 28 GLU HN 3.50 (# 269:15 Unique 2.36, 3.21 A)
&rst
ixpk= 269, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 0 AMB 15-2:270 28 GLU HN 5.50 (# 270:15 Single Ambig)
&rst
ixpk= 270, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 339, 340, 341,2185,2186,2185,2186,
&end
#
# 0 AMB 15-2:271 28 GLU HN 5.50 (# 271:15 Single Ambig)
&rst
ixpk= 271, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 15-2:272 28 GLU HN 5.50 (# 272:15 Single Ambig)
&rst
ixpk= 272, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2213,2214,2215,2190,2191,2192,2194,2195,2196,2190,
2191,2192,2194,2195,2196,
&end
#
# 22 PHE HN 29 TYR HN 4.50 (# 273:15 Unique 2.61, 2.75 A)
&rst
ixpk= 273, nxpk= 15, iat= 313, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:274 29 TYR HN 5.50 (# 274:15 Single Ambig)
&rst
ixpk= 274, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 347,2238,
&end
#
# 22 PHE HE 29 TYR HN 5.50 (# 275:15 Unique 4.72, 5.23 A)
&rst
ixpk= 275, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 29 TYR HD 29 TYR HN 3.50 (# 276:15 Unique 2.67, 4.30 A)
&rst
ixpk= 276, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 423, 432,
&end
#
# 23 THR HA 29 TYR HN 4.50 (# 277:15 Unique 3.66, 3.78 A)
&rst
ixpk= 277, nxpk= 15, iat= 335, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HA 29 TYR HN 4.50 (# 278:15 Unique 4.29, 4.42 A)
&rst
ixpk= 278, nxpk= 15, iat= 299, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLU HA 29 TYR HN 2.80 (# 279:15 Unique 2.13, 2.18 A)
&rst
ixpk= 279, nxpk= 15, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:280 29 TYR HN 4.50 (# 280:15 Single Ambig)
&rst
ixpk= 280, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 407, 408, 392, 393, 392, 393,
&end
#
# 29 TYR HB+ 29 TYR HN 4.50 (# 281:15 Unique 2.40, 3.06 A)
&rst
ixpk= 281, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 419, 420,
&end
#
# 28 GLU HB+ 29 TYR HN 5.50 (# 282:15 Unique 2.54, 3.51 A)
&rst
ixpk= 282, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 0 AMB 15-2:283 29 TYR HN 5.50 (# 283:15 Single Ambig)
&rst
ixpk= 283, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 407, 408, 351, 352,
&end
#
# 28 GLU HB- 29 TYR HN 4.50 (# 284:15 Unique 2.54, 3.51 A)
&rst
ixpk= 284, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 0 AMB 15-2:285 29 TYR HN 5.50 (# 285:15 Single Ambig)
&rst
ixpk= 285, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=2185,2186,2185,2186, 339, 340, 341,
&end
#
# 0 AMB 15-2:286 29 TYR HN 2.80 (# 286:15 Single Ambig)
&rst
ixpk= 286, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 419, 420, 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 15-2:287 29 TYR HN 4.50 (# 287:15 Single Ambig)
&rst
ixpk= 287, nxpk= 15, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 29 TYR HA 29 TYR HN 4.50 (# 288:15 Unique 2.96, 2.97 A)
&rst
ixpk= 288, nxpk= 15, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:289 30 GLY HN 5.50 (# 289:15 Single Ambig)
&rst
ixpk= 289, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 415, 443,
&end
#
# 143 ILE HN 30 GLY HN 4.50 (# 290:15 Unique 3.52, 3.58 A)
&rst
ixpk= 290, nxpk= 15, iat=2200, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:291 30 GLY HN 4.50 (# 291:15 Single Ambig)
&rst
ixpk= 291, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2238,2219,
&end
#
# 29 TYR HD 30 GLY HN 4.50 (# 292:15 Unique 3.37, 4.69 A)
&rst
ixpk= 292, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 423, 432,
&end
#
# 30 GLY HA+ 30 GLY HN 4.50 (# 293:15 Unique 2.49, 2.78 A)
&rst
ixpk= 293, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 438, 439,
&end
#
# 29 TYR HA 30 GLY HN 2.80 (# 294:15 Unique 2.26, 2.32 A)
&rst
ixpk= 294, nxpk= 15, iat= 417, 436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 144 LEU HA 30 GLY HN 3.50 (# 295:15 Unique 2.32, 2.57 A)
&rst
ixpk= 295, nxpk= 15, iat=2221, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 GLY HA- 30 GLY HN 3.50 (# 296:15 Unique 2.49, 2.78 A)
&rst
ixpk= 296, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 438, 439,
&end
#
# 29 TYR HB+ 30 GLY HN 3.50 (# 297:15 Unique 2.53, 3.36 A)
&rst
ixpk= 297, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 419, 420,
&end
#
# 0 AMB 15-2:298 30 GLY HN 5.50 (# 298:15 Single Ambig)
&rst
ixpk= 298, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2204,2210,2211,
&end
#
# 0 AMB 15-2:299 30 GLY HN 5.50 (# 299:15 Single Ambig)
&rst
ixpk= 299, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2226,2188,
&end
#
# 0 AMB 15-2:300 30 GLY HN 3.50 (# 300:15 Single Ambig)
&rst
ixpk= 300, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2185,2186,2185,2186,2244,2245,2246,2248,2249,2250,
&end
#
# 29 TYR HB- 30 GLY HN 3.50 (# 302:15 Unique 2.53, 3.36 A)
&rst
ixpk= 302, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 419, 420,
&end
#
# 0 AMB 15-2:303 30 GLY HN 5.50 (# 303:15 Single Ambig)
&rst
ixpk= 303, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 144 LEU MDY 30 GLY HN 4.50 (# 304:15 Unique 2.49, 4.61 A)
&rst
ixpk= 304, nxpk= 15, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 20 LEU HN 31 ILE HN 3.50 (# 306:15 Unique 2.81, 2.91 A)
&rst
ixpk= 306, nxpk= 15, iat= 278, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 GLY HN 31 ILE HN 5.50 (# 307:15 Unique 4.47, 4.50 A)
&rst
ixpk= 307, nxpk= 15, iat= 436, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HD 31 ILE HN 3.50 (# 308:15 Unique 2.43, 4.79 A)
&rst
ixpk= 308, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 266, 274,
&end
#
# 30 GLY HA+ 31 ILE HN 2.80 (# 309:15 Unique 2.26, 2.59 A)
&rst
ixpk= 309, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 438, 439,
&end
#
# 21 VAL HA 31 ILE HN 4.50 (# 310:15 Unique 3.60, 3.71 A)
&rst
ixpk= 310, nxpk= 15, iat= 299, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE HA 31 ILE HN 3.50 (# 311:15 Unique 2.94, 2.96 A)
&rst
ixpk= 311, nxpk= 15, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 PHE HA 31 ILE HN 4.50 (# 312:15 Unique 3.75, 3.93 A)
&rst
ixpk= 312, nxpk= 15, iat= 260, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 GLY HA- 31 ILE HN 3.50 (# 313:15 Unique 2.26, 2.59 A)
&rst
ixpk= 313, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 438, 439,
&end
#
# 19 PHE HB+ 31 ILE HN 5.50 (# 314:15 Unique 2.46, 3.42 A)
&rst
ixpk= 314, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 262, 263,
&end
#
# 19 PHE HB- 31 ILE HN 5.50 (# 315:15 Unique 2.46, 3.42 A)
&rst
ixpk= 315, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 262, 263,
&end
#
# 20 LEU HB+ 31 ILE HN 3.50 (# 316:15 Unique 3.40, 4.26 A)
&rst
ixpk= 316, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 282, 283,
&end
#
# 0 AMB 15-2:317 31 ILE HN 3.50 (# 317:15 Single Ambig)
&rst
ixpk= 317, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 453, 454, 447,
&end
#
# 31 ILE HG1+ 31 ILE HN 4.50 (# 318:15 Unique 2.74, 3.34 A)
&rst
ixpk= 318, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 453, 454,
&end
#
# 0 AMB 15-2:319 31 ILE HN 4.50 (# 319:15 Single Ambig)
&rst
ixpk= 319, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 449, 450, 451,2244,2245,2246,2248,2249,2250,2185,
2186,2185,2186,
&end
#
# 0 AMB 15-2:320 31 ILE HN 4.50 (# 320:15 Single Ambig)
&rst
ixpk= 320, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 287, 288, 289, 291, 292, 293, 287, 288, 289, 291,
292, 293,2244,2245,2246,2248,2249,2250,2281,2282,
2283,1675,1676,1677,1679,1680,1681,
&end
#
# 0 AMB 15-2:321 31 ILE HN 4.50 (# 321:15 Single Ambig)
&rst
ixpk= 321, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 303, 304, 305, 307, 308, 309, 456, 457, 458,
&end
#
# 144 LEU MDY 31 ILE HN 5.50 (# 322:15 Unique 3.58, 5.76 A)
&rst
ixpk= 322, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 15-2:323 31 ILE HN 5.50 (# 323:15 Single Ambig)
&rst
ixpk= 323, nxpk= 15, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,1399,1400,1401,1724,1725,1726,1728,1729,
1730,
&end
#
# 31 ILE HN 32 ASP HN 5.50 (# 324:15 Unique 4.25, 4.29 A)
&rst
ixpk= 324, nxpk= 15, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 32 ASP HN 5.50 (# 325:15 Unique 4.51, 4.55 A)
&rst
ixpk= 325, nxpk= 15, iat= 474, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HE 32 ASP HN 5.50 (# 326:15 Unique 3.67, 6.17 A)
&rst
ixpk= 326, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 19 PHE HD 32 ASP HN 4.50 (# 327:15 Unique 3.01, 5.35 A)
&rst
ixpk= 327, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 266, 274,
&end
#
# 19 PHE HA 32 ASP HN 5.50 (# 328:15 Unique 4.55, 4.68 A)
&rst
ixpk= 328, nxpk= 15, iat= 260, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HA 32 ASP HN 3.50 (# 330:15 Unique 2.83, 2.87 A)
&rst
ixpk= 330, nxpk= 15, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:331 32 ASP HN 2.80 (# 331:15 Single Ambig)
&rst
ixpk= 331, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 466, 467, 466, 467,
&end
#
# 0 AMB 15-2:332 32 ASP HN 3.50 (# 332:15 Single Ambig)
&rst
ixpk= 332, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 447, 516, 517, 453, 454,
&end
#
# 0 AMB 15-2:333 32 ASP HN 5.50 (# 333:15 Single Ambig)
&rst
ixpk= 333, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 519, 520,2278,2279,2223,2224,
&end
#
# 31 ILE QG2 32 ASP HN 3.50 (# 334:15 Unique 2.28, 3.23 A)
&rst
ixpk= 334, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 449, 450, 451,
&end
#
# 31 ILE QD1 32 ASP HN 5.50 (# 335:15 Unique 5.52, 6.12 A)
&rst
ixpk= 335, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 456, 457, 458,
&end
#
# 31 ILE HA 32 ASP HN 2.80 (# 336:15 Unique 2.20, 2.27 A)
&rst
ixpk= 336, nxpk= 15, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 LEU HN 33 ILE HN 5.50 (# 338:15 Unique 3.50, 3.59 A)
&rst
ixpk= 338, nxpk= 15, iat= 278, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HN 33 ILE HN 5.50 (# 339:15 Unique 4.51, 4.55 A)
&rst
ixpk= 339, nxpk= 15, iat= 462, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HN 33 ILE HN 4.50 (# 340:15 Unique 2.75, 2.80 A)
&rst
ixpk= 340, nxpk= 15, iat= 493, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HD 33 ILE HN 5.50 (# 341:15 Unique 4.24, 5.20 A)
&rst
ixpk= 341, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 266, 274,
&end
#
# 19 PHE HA 33 ILE HN 3.50 (# 342:15 Unique 2.11, 2.34 A)
&rst
ixpk= 342, nxpk= 15, iat= 260, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 LEU HA 33 ILE HN 5.50 (# 343:15 Unique 5.28, 5.34 A)
&rst
ixpk= 343, nxpk= 15, iat= 495, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:344 33 ILE HN 2.80 (# 344:15 Single Ambig)
&rst
ixpk= 344, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 464, 476,
&end
#
# 0 AMB 15-2:345 33 ILE HN 4.50 (# 345:15 Single Ambig)
&rst
ixpk= 345, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 466, 467, 466, 467,
&end
#
# 0 AMB 15-2:346 33 ILE HN 4.50 (# 346:15 Single Ambig)
&rst
ixpk= 346, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 247, 248, 230, 231, 447,
&end
#
# 33 ILE HB 33 ILE HN 2.80 (# 347:15 Unique 2.27, 2.30 A)
&rst
ixpk= 347, nxpk= 15, iat= 478, 474, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:348 33 ILE HN 4.50 (# 348:15 Single Ambig)
&rst
ixpk= 348, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 484, 485, 484, 485, 519, 520,
&end
#
# 108 VAL MGX 33 ILE HN 5.50 (# 349:15 Unique 4.92, 6.64 A)
&rst
ixpk= 349, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 33 ILE QG2 33 ILE HN 2.80 (# 350:15 Unique 2.10, 3.02 A)
&rst
ixpk= 350, nxpk= 15, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 480, 481, 482,
&end
#
# 33 ILE HN 34 LEU HN 3.50 (# 351:15 Unique 2.75, 2.80 A)
&rst
ixpk= 351, nxpk= 15, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 LYS HN 34 LEU HN 3.50 (# 352:15 Unique 2.59, 2.72 A)
&rst
ixpk= 352, nxpk= 15, iat= 512, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HN 34 LEU HN 5.50 (# 353:15 Unique 4.14, 4.26 A)
&rst
ixpk= 353, nxpk= 15, iat= 534, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:354 34 LEU HN 5.50 (# 354:15 Single Ambig)
&rst
ixpk= 354, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 260, 245,
&end
#
# 34 LEU HA 34 LEU HN 3.50 (# 355:15 Unique 2.83, 2.84 A)
&rst
ixpk= 355, nxpk= 15, iat= 495, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:356 34 LEU HN 3.50 (# 356:15 Single Ambig)
&rst
ixpk= 356, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 476, 464,
&end
#
# 0 AMB 15-2:357 34 LEU HN 5.50 (# 357:15 Single Ambig)
&rst
ixpk= 357, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 466, 467, 466, 467,
&end
#
# 34 LEU HB+ 34 LEU HN 2.80 (# 358:15 Unique 2.47, 3.04 A)
&rst
ixpk= 358, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 497, 498,
&end
#
# 34 LEU HG 34 LEU HN 2.80 (# 359:15 Unique 2.14, 2.20 A)
&rst
ixpk= 359, nxpk= 15, iat= 500, 493, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 LEU HB- 34 LEU HN 2.80 (# 360:15 Unique 2.47, 3.04 A)
&rst
ixpk= 360, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 497, 498,
&end
#
# 0 AMB 15-2:361 34 LEU HN 2.80 (# 361:15 Single Ambig)
&rst
ixpk= 361, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 480, 481, 482, 502, 503, 504, 506, 507, 508,
&end
#
# 0 AMB 15-2:362 34 LEU HN 2.80 (# 362:15 Single Ambig)
&rst
ixpk= 362, nxpk= 15, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 480, 481, 482, 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HN 35 LYS HN 3.50 (# 363:15 Unique 2.59, 2.72 A)
&rst
ixpk= 363, nxpk= 15, iat= 493, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HN 35 LYS HN 2.80 (# 364:15 Unique 2.13, 2.36 A)
&rst
ixpk= 364, nxpk= 15, iat= 534, 512, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 LYS HA 35 LYS HN 3.50 (# 365:15 Unique 2.93, 2.96 A)
&rst
ixpk= 365, nxpk= 15, iat= 514, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 LEU HA 35 LYS HN 4.50 (# 366:15 Unique 3.47, 3.49 A)
&rst
ixpk= 366, nxpk= 15, iat= 495, 512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:367 35 LYS HN 5.50 (# 367:15 Single Ambig)
&rst
ixpk= 367, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 476, 464,
&end
#
# 35 LYS HB+ 35 LYS HN 3.50 (# 370:15 Unique 2.39, 3.07 A)
&rst
ixpk= 370, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 516, 517,
&end
#
# 0 AMB 15-2:371 35 LYS HN 2.80 (# 371:15 Single Ambig)
&rst
ixpk= 371, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 516, 517, 497, 498,
&end
#
# 0 AMB 15-2:372 35 LYS HN 4.50 (# 372:15 Single Ambig)
&rst
ixpk= 372, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 522, 523, 522, 523, 500,
&end
#
# 35 LYS HG+ 35 LYS HN 2.80 (# 373:15 Unique 2.21, 3.11 A)
&rst
ixpk= 373, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 519, 520,
&end
#
# 0 AMB 15-2:374 35 LYS HN 2.80 (# 374:15 Single Ambig)
&rst
ixpk= 374, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 519, 520, 497, 498,
&end
#
# 0 AMB 15-2:375 35 LYS HN 4.50 (# 375:15 Single Ambig)
&rst
ixpk= 375, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2281,2282,2283, 480, 481, 482, 502, 503, 504, 506,
507, 508, 487, 488, 489,
&end
#
# 0 AMB 15-2:376 35 LYS HN 5.50 (# 376:15 Single Ambig)
&rst
ixpk= 376, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 540, 541, 542, 544, 545, 546,1430,1431,1432,1434,
1435,1436,1430,1431,1432,1434,1435,1436,
&end
#
# 37 GLN HN 36 VAL HN 5.50 (# 377:15 Unique 4.47, 4.53 A)
&rst
ixpk= 377, nxpk= 15, iat= 550, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HN 36 VAL HN 5.50 (# 378:15 Unique 4.14, 4.26 A)
&rst
ixpk= 378, nxpk= 15, iat= 493, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HN 36 VAL HN 2.80 (# 379:15 Unique 2.13, 2.36 A)
&rst
ixpk= 379, nxpk= 15, iat= 512, 534, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 LYS HA 36 VAL HN 3.50 (# 380:15 Unique 3.30, 3.46 A)
&rst
ixpk= 380, nxpk= 15, iat= 514, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 LEU HA 36 VAL HN 5.50 (# 381:15 Unique 3.83, 4.03 A)
&rst
ixpk= 381, nxpk= 15, iat= 495, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 36 VAL HN 4.50 (# 382:15 Unique 3.22, 3.45 A)
&rst
ixpk= 382, nxpk= 15, iat= 476, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL HA 36 VAL HN 3.50 (# 383:15 Unique 2.86, 2.89 A)
&rst
ixpk= 383, nxpk= 15, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HB 36 VAL HN 2.80 (# 384:15 Unique 2.33, 2.44 A)
&rst
ixpk= 384, nxpk= 15, iat= 538, 534, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 LYS HB+ 36 VAL HN 5.50 (# 385:15 Unique 3.03, 3.77 A)
&rst
ixpk= 385, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 516, 517,
&end
#
# 0 AMB 15-2:386 36 VAL HN 4.50 (# 386:15 Single Ambig)
&rst
ixpk= 386, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 516, 517, 497, 498,
&end
#
# 0 AMB 15-2:387 36 VAL HN 5.50 (# 387:15 Single Ambig)
&rst
ixpk= 387, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 523, 522, 523,1428, 500,
&end
#
# 0 AMB 15-2:388 36 VAL HN 4.50 (# 388:15 Single Ambig)
&rst
ixpk= 388, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 519, 520, 497, 498,2278,2279, 282, 283,
&end
#
# 0 AMB 15-2:389 36 VAL HN 4.50 (# 389:15 Single Ambig)
&rst
ixpk= 389, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 519, 520, 484, 485, 484, 485,
&end
#
# 36 VAL MGY 36 VAL HN 3.50 (# 390:15 Unique 2.12, 3.81 A)
&rst
ixpk= 390, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 36 VAL MGX 36 VAL HN 3.50 (# 391:15 Unique 2.12, 3.81 A)
&rst
ixpk= 391, nxpk= 15, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 92 ASN HN 37 GLN HN 5.50 (# 393:15 Unique 3.71, 4.30 A)
&rst
ixpk= 393, nxpk= 15, iat=1440, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU HN 37 GLN HN 3.50 (# 394:15 Unique 2.07, 2.30 A)
&rst
ixpk= 394, nxpk= 15, iat= 567, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HN 37 GLN HN 4.50 (# 395:15 Unique 4.47, 4.53 A)
&rst
ixpk= 395, nxpk= 15, iat= 534, 550, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 LEU HA 37 GLN HN 4.50 (# 396:15 Unique 2.49, 2.72 A)
&rst
ixpk= 396, nxpk= 15, iat=1423, 550, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLN HA 37 GLN HN 3.50 (# 397:15 Unique 2.94, 2.97 A)
&rst
ixpk= 397, nxpk= 15, iat= 552, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HA 37 GLN HN 2.80 (# 398:15 Unique 2.05, 2.14 A)
&rst
ixpk= 398, nxpk= 15, iat= 536, 550, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 VAL HB 37 GLN HN 5.50 (# 399:15 Unique 4.06, 4.18 A)
&rst
ixpk= 399, nxpk= 15, iat= 538, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:400 37 GLN HN 5.50 (# 400:15 Single Ambig)
&rst
ixpk= 400, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 557, 558, 557, 558,
&end
#
# 35 LYS HB+ 37 GLN HN 5.50 (# 401:15 Unique 5.79, 6.14 A)
&rst
ixpk= 401, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 516, 517,
&end
#
# 0 AMB 15-2:402 37 GLN HN 4.50 (# 402:15 Single Ambig)
&rst
ixpk= 402, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1425,1426, 574, 575, 574, 575, 516, 517,
&end
#
# 37 GLN HB+ 37 GLN HN 3.50 (# 403:15 Unique 2.34, 2.75 A)
&rst
ixpk= 403, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 554, 555,
&end
#
# 37 GLN HB- 37 GLN HN 3.50 (# 404:15 Unique 2.34, 2.75 A)
&rst
ixpk= 404, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 554, 555,
&end
#
# 36 VAL MGY 37 GLN HN 4.50 (# 405:15 Unique 2.48, 4.23 A)
&rst
ixpk= 405, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 15-2:406 37 GLN HN 2.80 (# 406:15 Single Ambig)
&rst
ixpk= 406, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 540, 541, 542, 544, 545, 546,1430,1431,1432,1434,
1435,1436,1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 15-2:407 37 GLN HN 4.50 (# 407:15 Single Ambig)
&rst
ixpk= 407, nxpk= 15, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 37 GLN HN 38 GLU HN 3.50 (# 408:15 Unique 2.07, 2.30 A)
&rst
ixpk= 408, nxpk= 15, iat= 550, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 VAL HN 38 GLU HN 4.50 (# 409:15 Unique 3.00, 3.13 A)
&rst
ixpk= 409, nxpk= 15, iat=1405, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HN 38 GLU HN 5.50 (# 410:15 Unique 1.89, 4.21 A)
&rst
ixpk= 410, nxpk= 15, iat= 582, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LEU HA 38 GLU HN 5.50 (# 412:15 Unique 4.36, 4.64 A)
&rst
ixpk= 412, nxpk= 15, iat=1423, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU HA 38 GLU HN 3.50 (# 413:15 Unique 2.79, 2.87 A)
&rst
ixpk= 413, nxpk= 15, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 GLN HA 38 GLU HN 3.50 (# 414:15 Unique 3.58, 3.60 A)
&rst
ixpk= 414, nxpk= 15, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 VAL HA 38 GLU HN 4.50 (# 415:15 Unique 3.88, 4.06 A)
&rst
ixpk= 415, nxpk= 15, iat= 536, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:416 38 GLU HN 3.50 (# 416:15 Single Ambig)
&rst
ixpk= 416, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 571, 572, 571, 572,
&end
#
# 90 VAL HB 38 GLU HN 3.50 (# 417:15 Unique 2.07, 2.17 A)
&rst
ixpk= 417, nxpk= 15, iat=1409, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:418 38 GLU HN 2.80 (# 418:15 Single Ambig)
&rst
ixpk= 418, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 554, 555, 574, 575, 574, 575,
&end
#
# 37 GLN HB- 38 GLU HN 3.50 (# 419:15 Unique 2.26, 3.08 A)
&rst
ixpk= 419, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 554, 555,
&end
#
# 0 AMB 15-2:420 38 GLU HN 5.50 (# 420:15 Single Ambig)
&rst
ixpk= 420, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 540, 541, 542, 544, 545, 546, 595, 596, 597,
&end
#
# 0 AMB 15-2:421 38 GLU HN 2.80 (# 421:15 Single Ambig)
&rst
ixpk= 421, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 540, 541, 542, 544, 545, 546,1392,1393,1394,1430,
1431,1432,1434,1435,1436,
&end
#
# 0 AMB 15-2:422 38 GLU HN 2.80 (# 422:15 Single Ambig)
&rst
ixpk= 422, nxpk= 15, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 40 ARG HN 39 ILE HN 5.50 (# 423:15 Unique 4.18, 4.28 A)
&rst
ixpk= 423, nxpk= 15, iat= 601, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU HN 39 ILE HN 4.50 (# 424:15 Unique 1.89, 4.21 A)
&rst
ixpk= 424, nxpk= 15, iat= 567, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ARG HA 39 ILE HN 5.50 (# 425:15 Unique 4.60, 4.94 A)
&rst
ixpk= 425, nxpk= 15, iat= 603, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HA 39 ILE HN 3.50 (# 426:15 Unique 2.40, 2.92 A)
&rst
ixpk= 426, nxpk= 15, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 GLU HA 39 ILE HN 2.80 (# 427:15 Unique 2.39, 2.61 A)
&rst
ixpk= 427, nxpk= 15, iat= 569, 582, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:428 39 ILE HN 2.80 (# 428:15 Single Ambig)
&rst
ixpk= 428, nxpk= 15, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 571, 572, 571, 572,
&end
#
# 0 AMB 15-2:429 39 ILE HN 3.50 (# 429:15 Single Ambig)
&rst
ixpk= 429, nxpk= 15, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 595, 596, 597, 540, 541, 542, 544, 545, 546, 588,
589, 590,
&end
#
# 90 VAL HN 40 ARG HN 5.50 (# 430:15 Unique 3.97, 4.60 A)
&rst
ixpk= 430, nxpk= 15, iat=1405, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 VAL HN 40 ARG HN 4.50 (# 431:15 Unique 2.32, 2.87 A)
&rst
ixpk= 431, nxpk= 15, iat=1370, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLY HN 40 ARG HN 5.50 (# 432:15 Unique 4.05, 4.40 A)
&rst
ixpk= 432, nxpk= 15, iat= 625, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ARG HA 40 ARG HN 3.50 (# 433:15 Unique 2.22, 2.85 A)
&rst
ixpk= 433, nxpk= 15, iat= 603, 601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 VAL HA 40 ARG HN 5.50 (# 434:15 Unique 4.61, 4.83 A)
&rst
ixpk= 434, nxpk= 15, iat=1372, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HA 40 ARG HN 2.80 (# 435:15 Unique 2.16, 2.24 A)
&rst
ixpk= 435, nxpk= 15, iat= 584, 601, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 VAL HA 40 ARG HN 5.50 (# 436:15 Unique 3.74, 4.54 A)
&rst
ixpk= 436, nxpk= 15, iat=1356, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ILE HA 40 ARG HN 5.50 (# 437:15 Unique 3.56, 3.87 A)
&rst
ixpk= 437, nxpk= 15, iat=1388, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ARG HB+ 40 ARG HN 5.50 (# 438:15 Unique 2.71, 3.41 A)
&rst
ixpk= 438, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 605, 606,
&end
#
# 0 AMB 15-2:439 40 ARG HN 4.50 (# 439:15 Single Ambig)
&rst
ixpk= 439, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 605, 606,1358,
&end
#
# 0 AMB 15-2:440 40 ARG HN 4.50 (# 440:15 Single Ambig)
&rst
ixpk= 440, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1374, 586,
&end
#
# 0 AMB 15-2:441 40 ARG HN 4.50 (# 441:15 Single Ambig)
&rst
ixpk= 441, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 592, 593, 592, 593,
&end
#
# 87 VAL MGX 40 ARG HN 5.50 (# 442:15 Unique 2.59, 5.21 A)
&rst
ixpk= 442, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 0 AMB 15-2:443 40 ARG HN 2.80 (# 443:15 Single Ambig)
&rst
ixpk= 443, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 588, 589, 590,1360,1361,1362,1364,1365,1366,1376,
1377,1378,1380,1381,1382,
&end
#
# 0 AMB 15-2:445 40 ARG HN 5.50 (# 445:15 Single Ambig)
&rst
ixpk= 445, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 40 ARG HN 41 GLY HN 5.50 (# 446:15 Unique 4.05, 4.40 A)
&rst
ixpk= 446, nxpk= 15, iat= 601, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 VAL HN 41 GLY HN 5.50 (# 447:15 Unique 2.55, 4.69 A)
&rst
ixpk= 447, nxpk= 15, iat=1370, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TYR HN 41 GLY HN 4.50 (# 448:15 Unique 2.04, 4.27 A)
&rst
ixpk= 448, nxpk= 15, iat= 632, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ARG HA 41 GLY HN 3.50 (# 450:15 Unique 2.23, 2.53 A)
&rst
ixpk= 450, nxpk= 15, iat= 603, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLY HA+ 41 GLY HN 3.50 (# 452:15 Unique 2.25, 2.60 A)
&rst
ixpk= 452, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 627, 628,
&end
#
# 41 GLY HA- 41 GLY HN 2.80 (# 453:15 Unique 2.25, 2.60 A)
&rst
ixpk= 453, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 627, 628,
&end
#
# 62 ARG HD- 41 GLY HN 5.50 (# 454:15 Unique 5.38, 6.32 A)
&rst
ixpk= 454, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 958, 959,
&end
#
# 40 ARG HB+ 41 GLY HN 3.50 (# 455:15 Unique 2.05, 3.25 A)
&rst
ixpk= 455, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 605, 606,
&end
#
# 40 ARG HB- 41 GLY HN 3.50 (# 456:15 Unique 2.05, 3.25 A)
&rst
ixpk= 456, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 605, 606,
&end
#
# 0 AMB 15-2:457 41 GLY HN 4.50 (# 457:15 Single Ambig)
&rst
ixpk= 457, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1374, 933, 934,
&end
#
# 41 GLY HN 42 TYR HN 4.50 (# 459:15 Unique 2.04, 4.27 A)
&rst
ixpk= 459, nxpk= 15, iat= 625, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HN 42 TYR HN 5.50 (# 460:15 Unique 2.11, 4.27 A)
&rst
ixpk= 460, nxpk= 15, iat= 653, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TYR HD 42 TYR HN 4.50 (# 461:15 Unique 1.90, 3.96 A)
&rst
ixpk= 461, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 640, 649,
&end
#
# 41 GLY HA+ 42 TYR HN 2.80 (# 462:15 Unique 2.09, 2.55 A)
&rst
ixpk= 462, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 627, 628,
&end
#
# 87 VAL HA 42 TYR HN 4.50 (# 463:15 Unique 2.79, 3.37 A)
&rst
ixpk= 463, nxpk= 15, iat=1356, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR HB 42 TYR HN 4.50 (# 464:15 Unique 4.33, 5.34 A)
&rst
ixpk= 464, nxpk= 15, iat=1344, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 TYR HA 42 TYR HN 3.50 (# 465:15 Unique 2.13, 2.74 A)
&rst
ixpk= 465, nxpk= 15, iat= 634, 632, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLY HA- 42 TYR HN 2.80 (# 466:15 Unique 2.09, 2.55 A)
&rst
ixpk= 466, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 627, 628,
&end
#
# 42 TYR HB+ 42 TYR HN 2.80 (# 467:15 Unique 2.00, 2.89 A)
&rst
ixpk= 467, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 636, 637,
&end
#
# 42 TYR HB- 42 TYR HN 3.50 (# 468:15 Unique 2.00, 2.89 A)
&rst
ixpk= 468, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 636, 637,
&end
#
# 86 THR MG2 42 TYR HN 5.50 (# 469:15 Unique 5.08, 6.08 A)
&rst
ixpk= 469, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 88 VAL MGY 42 TYR HN 4.50 (# 470:15 Unique 2.55, 6.55 A)
&rst
ixpk= 470, nxpk= 15, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 42 TYR HN 43 ASP HN 5.50 (# 471:15 Unique 2.11, 4.27 A)
&rst
ixpk= 471, nxpk= 15, iat= 632, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLN HN 43 ASP HN 5.50 (# 472:15 Unique 2.03, 3.42 A)
&rst
ixpk= 472, nxpk= 15, iat= 665, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:473 43 ASP HN 3.50 (# 473:15 Single Ambig)
&rst
ixpk= 473, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 640, 649, 677, 678,
&end
#
# 0 AMB 15-2:475 43 ASP HN 3.50 (# 475:15 Single Ambig)
&rst
ixpk= 475, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 655,1281,
&end
#
# 0 AMB 15-2:476 43 ASP HN 3.50 (# 476:15 Single Ambig)
&rst
ixpk= 476, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 634,1342,
&end
#
# 42 TYR HB+ 43 ASP HN 5.50 (# 477:15 Unique 1.87, 3.01 A)
&rst
ixpk= 477, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 636, 637,
&end
#
# 0 AMB 15-2:478 43 ASP HN 4.50 (# 478:15 Single Ambig)
&rst
ixpk= 478, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 657, 658,1283,1284,
&end
#
# 0 AMB 15-2:479 43 ASP HN 3.50 (# 479:15 Single Ambig)
&rst
ixpk= 479, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 636, 637, 657, 658,
&end
#
# 0 AMB 15-2:480 43 ASP HN 4.50 (# 480:15 Single Ambig)
&rst
ixpk= 480, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585,1586,1587,1589,1590,1591,1376,1377,1378,1380,
1381,1382,
&end
#
# 88 VAL MGX 43 ASP HN 5.50 (# 481:15 Unique 3.74, 7.14 A)
&rst
ixpk= 481, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 45 VAL MGX 43 ASP HN 5.50 (# 482:15 Unique 3.33, 6.20 A)
&rst
ixpk= 482, nxpk= 15, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL HN 44 GLN HN 3.50 (# 483:15 Unique 1.80, 2.66 A)
&rst
ixpk= 483, nxpk= 15, iat= 682, 665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:484 44 GLN HN 4.50 (# 484:15 Single Ambig)
&rst
ixpk= 484, nxpk= 15, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 653, 677, 678,
&end
#
# 0 AMB 15-2:485 0 AMB 15-1:485 5.50 (# 485:15 Double Ambig)
&rst
ixpk= 485, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2364, 903,
igr2=2417, 665,
&end
#
# 43 ASP HA 44 GLN HN 3.50 (# 486:15 Unique 2.10, 3.14 A)
&rst
ixpk= 486, nxpk= 15, iat= 655, 665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:487 156 MET HN 4.50 (# 487:15 Single Ambig)
&rst
ixpk= 487, nxpk= 15, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2404,2389,
&end
#
# 44 GLN HA 44 GLN HN 2.80 (# 488:15 Unique 2.20, 2.77 A)
&rst
ixpk= 488, nxpk= 15, iat= 667, 665, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 ASP HB+ 44 GLN HN 4.50 (# 489:15 Unique 2.27, 3.87 A)
&rst
ixpk= 489, nxpk= 15, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 657, 658,
&end
#
# 43 ASP HB- 44 GLN HN 4.50 (# 490:15 Unique 2.27, 3.87 A)
&rst
ixpk= 490, nxpk= 15, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 657, 658,
&end
#
# 0 AMB 15-2:491 44 GLN HN 4.50 (# 491:15 Single Ambig)
&rst
ixpk= 491, nxpk= 15, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 672, 673, 672, 673,
&end
#
# 44 GLN HB+ 44 GLN HN 3.50 (# 492:15 Unique 2.37, 3.32 A)
&rst
ixpk= 492, nxpk= 15, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 669, 670,
&end
#
# 0 AMB 15-2:493 0 AMB 15-1:493 2.80 (# 493:15 Double Ambig)
&rst
ixpk= 493, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 669, 670,2428,2429,2430,
igr2= 665,2417,
&end
#
# 0 AMB 15-2:494 0 AMB 15-1:494 3.50 (# 494:15 Double Ambig)
&rst
ixpk= 494, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 669, 670,2428,2429,2430,
igr2= 665,2417,
&end
#
# 45 VAL MGX 44 GLN HN 5.50 (# 495:15 Unique 2.61, 5.53 A)
&rst
ixpk= 495, nxpk= 15, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 44 GLN HN 45 VAL HN 3.50 (# 496:15 Unique 1.80, 2.66 A)
&rst
ixpk= 496, nxpk= 15, iat= 665, 682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 THR HA 45 VAL HN 5.50 (# 497:15 Unique 4.23, 4.94 A)
&rst
ixpk= 497, nxpk= 15, iat= 903, 682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HA 45 VAL HN 5.50 (# 498:15 Unique 3.02, 3.73 A)
&rst
ixpk= 498, nxpk= 15, iat= 655, 682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:499 45 VAL HN 3.50 (# 499:15 Single Ambig)
&rst
ixpk= 499, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 684, 634,
&end
#
# 44 GLN HA 45 VAL HN 2.80 (# 500:15 Unique 2.00, 3.21 A)
&rst
ixpk= 500, nxpk= 15, iat= 667, 682, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 GLN HB+ 45 VAL HN 5.50 (# 501:15 Unique 2.85, 4.11 A)
&rst
ixpk= 501, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 669, 670,
&end
#
# 44 GLN HB- 45 VAL HN 5.50 (# 502:15 Unique 2.85, 4.11 A)
&rst
ixpk= 502, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 669, 670,
&end
#
# 45 VAL HB 45 VAL HN 3.50 (# 503:15 Unique 2.39, 3.02 A)
&rst
ixpk= 503, nxpk= 15, iat= 686, 682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 VAL MGY 45 VAL HN 4.50 (# 504:15 Unique 1.88, 3.45 A)
&rst
ixpk= 504, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL MGX 45 VAL HN 3.50 (# 505:15 Unique 1.88, 3.45 A)
&rst
ixpk= 505, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 15-2:506 46 THR HN 4.50 (# 506:15 Single Ambig)
&rst
ixpk= 506, nxpk= 15, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 712, 885,
&end
#
# 59 THR HA 46 THR HN 4.50 (# 507:15 Unique 2.40, 3.23 A)
&rst
ixpk= 507, nxpk= 15, iat= 903, 698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 THR HA 46 THR HN 3.50 (# 508:15 Unique 2.87, 2.96 A)
&rst
ixpk= 508, nxpk= 15, iat= 700, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 VAL HA 46 THR HN 2.80 (# 509:15 Unique 2.13, 2.24 A)
&rst
ixpk= 509, nxpk= 15, iat= 684, 698, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 THR HB 46 THR HN 3.50 (# 510:15 Unique 2.40, 2.68 A)
&rst
ixpk= 510, nxpk= 15, iat= 702, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 VAL HB 46 THR HN 5.50 (# 511:15 Unique 2.45, 3.44 A)
&rst
ixpk= 511, nxpk= 15, iat= 686, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:512 46 THR HN 4.50 (# 512:15 Single Ambig)
&rst
ixpk= 512, nxpk= 15, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 704, 705, 706, 746, 747,
&end
#
# 0 AMB 15-2:513 46 THR HN 5.50 (# 513:15 Single Ambig)
&rst
ixpk= 513, nxpk= 15, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,1008,1009,1010,
&end
#
# 45 VAL MGY 46 THR HN 4.50 (# 514:15 Unique 2.49, 4.36 A)
&rst
ixpk= 514, nxpk= 15, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL MGX 46 THR HN 5.50 (# 515:15 Unique 2.49, 4.36 A)
&rst
ixpk= 515, nxpk= 15, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 46 THR MG2 47 ARG HN 3.50 (# 517:15 Unique 2.36, 3.97 A)
&rst
ixpk= 517, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 704, 705, 706,
&end
#
# 47 ARG HB- 47 ARG HN 3.50 (# 518:15 Unique 2.28, 3.02 A)
&rst
ixpk= 518, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 716, 717,
&end
#
# 46 THR HB 47 ARG HN 5.50 (# 519:15 Unique 2.08, 4.00 A)
&rst
ixpk= 519, nxpk= 15, iat= 702, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:520 47 ARG HN 3.50 (# 520:15 Single Ambig)
&rst
ixpk= 520, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 700, 714,
&end
#
# 48 ILE HN 47 ARG HN 5.50 (# 523:15 Unique 2.93, 4.48 A)
&rst
ixpk= 523, nxpk= 15, iat= 736, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 THR HN 47 ARG HN 5.50 (# 524:15 Unique 2.14, 3.90 A)
&rst
ixpk= 524, nxpk= 15, iat= 698, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 VAL HB 47 ARG HN 5.50 (# 525:15 Unique 3.48, 5.11 A)
&rst
ixpk= 525, nxpk= 15, iat= 686, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:526 0 AMB 15-1:526 5.50 (# 526:15 Double Ambig)
&rst
ixpk= 526, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2181, 698,
igr2=2164, 736,
&end
#
# 0 AMB 15-2:527 48 ILE HN 4.50 (# 527:15 Single Ambig)
&rst
ixpk= 527, nxpk= 15, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 755, 712,
&end
#
# 140 ARG HN 141 MET HN 4.50 (# 528:15 Unique 4.40, 4.53 A)
&rst
ixpk= 528, nxpk= 15, iat=2140,2164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 MET HA 141 MET HN 2.80 (# 529:15 Unique 2.89, 2.90 A)
&rst
ixpk= 529, nxpk= 15, iat=2166,2164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:531 0 AMB 15-1:531 2.80 (# 531:15 Double Ambig)
&rst
ixpk= 531, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 714,2142,
igr2= 736,2164,
&end
#
# 57 GLY HA- 48 ILE HN 5.50 (# 532:15 Unique 2.55, 3.92 A)
&rst
ixpk= 532, nxpk= 15, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 880, 881,
&end
#
# 141 MET HG+ 141 MET HN 5.50 (# 533:15 Unique 3.36, 3.87 A)
&rst
ixpk= 533, nxpk= 15, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2171,2172,
&end
#
# 141 MET HG- 141 MET HN 4.50 (# 534:15 Unique 3.36, 3.87 A)
&rst
ixpk= 534, nxpk= 15, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2171,2172,
&end
#
# 0 AMB 15-2:535 0 AMB 15-1:535 2.80 (# 535:15 Double Ambig)
&rst
ixpk= 535, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 716, 717,2144,2145,2168,2169,
igr2= 736,2164,
&end
#
# 28 GLU HB- 141 MET HN 4.50 (# 536:15 Unique 3.91, 4.88 A)
&rst
ixpk= 536, nxpk= 15, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 141 MET HB- 141 MET HN 3.50 (# 537:15 Unique 2.80, 3.35 A)
&rst
ixpk= 537, nxpk= 15, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2168,2169,
&end
#
# 0 AMB 15-2:538 0 AMB 15-1:538 2.80 (# 538:15 Double Ambig)
&rst
ixpk= 538, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 716, 717, 740,2144,2145,
igr2= 736,2164,
&end
#
# 0 AMB 15-2:539 0 AMB 15-1:539 3.50 (# 539:15 Double Ambig)
&rst
ixpk= 539, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 719, 720, 746, 747,2147,2148,
igr2= 736,2164,
&end
#
# 48 ILE HG1+ 48 ILE HN 5.50 (# 540:15 Unique 2.23, 3.85 A)
&rst
ixpk= 540, nxpk= 15, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 746, 747,
&end
#
# 48 ILE QG2 48 ILE HN 4.50 (# 541:15 Unique 2.91, 4.45 A)
&rst
ixpk= 541, nxpk= 15, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 742, 743, 744,
&end
#
# 48 ILE QD1 48 ILE HN 5.50 (# 542:15 Unique 1.91, 3.44 A)
&rst
ixpk= 542, nxpk= 15, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 749, 750, 751,
&end
#
# 57 GLY HA+ 48 ILE HN 4.50 (# 543:15 Unique 2.55, 3.92 A)
&rst
ixpk= 543, nxpk= 15, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 881,
&end
#
# 48 ILE HN 49 ALA HN 5.50 (# 545:15 Unique 2.35, 3.73 A)
&rst
ixpk= 545, nxpk= 15, iat= 736, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ILE HA 49 ALA HN 3.50 (# 547:15 Unique 2.17, 2.82 A)
&rst
ixpk= 547, nxpk= 15, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ALA HA 49 ALA HN 3.50 (# 548:15 Unique 2.20, 2.75 A)
&rst
ixpk= 548, nxpk= 15, iat= 757, 755, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:549 49 ALA HN 5.50 (# 549:15 Single Ambig)
&rst
ixpk= 549, nxpk= 15, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 740, 716, 717,
&end
#
# 0 AMB 15-2:550 49 ALA HN 3.50 (# 550:15 Single Ambig)
&rst
ixpk= 550, nxpk= 15, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 746, 747, 759, 760, 761,
&end
#
# 48 ILE HG1+ 49 ALA HN 4.50 (# 551:15 Unique 1.91, 4.63 A)
&rst
ixpk= 551, nxpk= 15, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 746, 747,
&end
#
# 51 THR MG2 49 ALA HN 5.50 (# 552:15 Unique 1.90, 4.68 A)
&rst
ixpk= 552, nxpk= 15, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 785, 786, 787,
&end
#
# 48 ILE QG2 49 ALA HN 4.50 (# 553:15 Unique 2.03, 3.70 A)
&rst
ixpk= 553, nxpk= 15, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 742, 743, 744,
&end
#
# 48 ILE QD1 49 ALA HN 5.50 (# 554:15 Unique 2.79, 4.94 A)
&rst
ixpk= 554, nxpk= 15, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 749, 750, 751,
&end
#
# 0 AMB 15-2:555 0 AMB 15-1:555 5.50 (# 555:15 Double Ambig)
&rst
ixpk= 555, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 736,1454,
igr2= 765,1473,
&end
#
# 51 THR HN 50 ASN HN 3.50 (# 556:15 Unique 1.79, 2.67 A)
&rst
ixpk= 556, nxpk= 15, iat= 779, 765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 LEU HA 94 GLY HN 3.50 (# 560:15 Unique 2.15, 2.27 A)
&rst
ixpk= 560, nxpk= 15, iat=1456,1473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASN HA 50 ASN HN 2.80 (# 561:15 Unique 2.19, 2.76 A)
&rst
ixpk= 561, nxpk= 15, iat= 767, 765, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 GLY HA+ 94 GLY HN 2.80 (# 562:15 Unique 2.26, 2.56 A)
&rst
ixpk= 562, nxpk= 15, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1475,1476,
&end
#
# 49 ALA HA 50 ASN HN 3.50 (# 563:15 Unique 2.22, 3.08 A)
&rst
ixpk= 563, nxpk= 15, iat= 757, 765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:564 0 AMB 15-1:564 5.50 (# 564:15 Double Ambig)
&rst
ixpk= 564, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2289,2498,2499,2498,2499,
igr2=1473, 765,
&end
#
# 94 GLY HA- 94 GLY HN 3.50 (# 565:15 Unique 2.26, 2.56 A)
&rst
ixpk= 565, nxpk= 15, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1475,1476,
&end
#
# 50 ASN HB+ 50 ASN HN 4.50 (# 566:15 Unique 2.37, 3.35 A)
&rst
ixpk= 566, nxpk= 15, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 769, 770,
&end
#
# 50 ASN HB- 50 ASN HN 4.50 (# 567:15 Unique 2.37, 3.35 A)
&rst
ixpk= 567, nxpk= 15, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 769, 770,
&end
#
# 0 AMB 15-2:568 0 AMB 15-1:568 5.50 (# 568:15 Double Ambig)
&rst
ixpk= 568, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1458,1459, 740, 522, 523, 522, 523,
igr2=1473, 765,
&end
#
# 0 AMB 15-2:569 94 GLY HN 5.50 (# 569:15 Single Ambig)
&rst
ixpk= 569, nxpk= 15, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2278,2279,1504,1505,1504,1505, 519, 520,
&end
#
# 49 ALA MB 50 ASN HN 3.50 (# 570:15 Unique 1.94, 3.49 A)
&rst
ixpk= 570, nxpk= 15, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 759, 760, 761,
&end
#
# 0 AMB 15-2:571 94 GLY HN 5.50 (# 571:15 Single Ambig)
&rst
ixpk= 571, nxpk= 15, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2352,2353,2354,2356,2357,2358,2352,2353,2354,2356,
2357,2358,1463,1464,1465,1467,1468,1469,1463,1464,
1465,1467,1468,1469,
&end
#
# 0 AMB 15-2:572 51 THR HN 3.50 (# 572:15 Single Ambig)
&rst
ixpk= 572, nxpk= 15, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 765, 755,
&end
#
# 51 THR HA 51 THR HN 2.80 (# 574:15 Unique 2.71, 2.82 A)
&rst
ixpk= 574, nxpk= 15, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 ASN HA 51 THR HN 2.80 (# 575:15 Unique 2.58, 3.08 A)
&rst
ixpk= 575, nxpk= 15, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:576 51 THR HN 3.50 (# 576:15 Single Ambig)
&rst
ixpk= 576, nxpk= 15, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 757, 783,
&end
#
# 50 ASN HB+ 51 THR HN 5.50 (# 577:15 Unique 3.19, 4.39 A)
&rst
ixpk= 577, nxpk= 15, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 769, 770,
&end
#
# 0 AMB 15-2:578 51 THR HN 5.50 (# 578:15 Single Ambig)
&rst
ixpk= 578, nxpk= 15, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 722, 723, 769, 770,
&end
#
# 0 AMB 15-2:579 51 THR HN 5.50 (# 579:15 Single Ambig)
&rst
ixpk= 579, nxpk= 15, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 759, 760, 761, 746, 747, 719, 720,
&end
#
# 51 THR MG2 51 THR HN 3.50 (# 580:15 Unique 2.24, 3.44 A)
&rst
ixpk= 580, nxpk= 15, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 785, 786, 787,
&end
#
# 56 LYS HN 55 ILE HN 5.50 (# 581:15 Unique 3.09, 4.00 A)
&rst
ixpk= 581, nxpk= 15, iat= 856, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HN 55 ILE HN 3.50 (# 583:15 Unique 1.79, 2.77 A)
&rst
ixpk= 583, nxpk= 15, iat= 817, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 PHE HA 55 ILE HN 4.50 (# 586:15 Unique 2.72, 3.35 A)
&rst
ixpk= 586, nxpk= 15, iat= 819, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HA 55 ILE HN 4.50 (# 587:15 Unique 2.90, 2.96 A)
&rst
ixpk= 587, nxpk= 15, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:588 55 ILE HN 4.50 (# 588:15 Single Ambig)
&rst
ixpk= 588, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 809, 858,
&end
#
# 0 AMB 15-2:589 55 ILE HN 4.50 (# 589:15 Single Ambig)
&rst
ixpk= 589, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 783, 858,
&end
#
# 55 ILE HB 55 ILE HN 2.80 (# 590:15 Unique 2.47, 2.79 A)
&rst
ixpk= 590, nxpk= 15, iat= 841, 837, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:591 55 ILE HN 5.50 (# 591:15 Single Ambig)
&rst
ixpk= 591, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 811, 812, 813,2448,2449,
&end
#
# 0 AMB 15-2:592 55 ILE HN 3.50 (# 592:15 Single Ambig)
&rst
ixpk= 592, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1140,1141,1142,2453,2454,2455,2457,2458,2459,2453,
2454,2455,2457,2458,2459,1069,1070,1071,1073,1074,
1075,
&end
#
# 55 ILE QG2 55 ILE HN 4.50 (# 593:15 Unique 4.29, 4.74 A)
&rst
ixpk= 593, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 843, 844, 845,
&end
#
# 55 ILE QD1 55 ILE HN 5.50 (# 594:15 Unique 2.87, 4.95 A)
&rst
ixpk= 594, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 70 ASP HN 56 LYS HN 5.50 (# 596:15 Unique 3.42, 4.56 A)
&rst
ixpk= 596, nxpk= 15, iat=1079, 856, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLY HN 56 LYS HN 4.50 (# 597:15 Unique 1.93, 2.47 A)
&rst
ixpk= 597, nxpk= 15, iat= 878, 856, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 VAL HA 56 LYS HN 4.50 (# 598:15 Unique 2.28, 2.79 A)
&rst
ixpk= 598, nxpk= 15, iat=1065, 856, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HA 56 LYS HN 3.50 (# 599:15 Unique 2.18, 2.27 A)
&rst
ixpk= 599, nxpk= 15, iat= 839, 856, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 LYS HA 56 LYS HN 3.50 (# 600:15 Unique 2.76, 2.92 A)
&rst
ixpk= 600, nxpk= 15, iat= 858, 856, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 LYS HB+ 56 LYS HN 5.50 (# 601:15 Unique 2.23, 2.83 A)
&rst
ixpk= 601, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 860, 861,
&end
#
# 0 AMB 15-2:602 56 LYS HN 4.50 (# 602:15 Single Ambig)
&rst
ixpk= 602, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 841,2451,
&end
#
# 0 AMB 15-2:603 56 LYS HN 5.50 (# 603:15 Single Ambig)
&rst
ixpk= 603, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1048, 719, 720,
&end
#
# 0 AMB 15-2:604 56 LYS HN 5.50 (# 604:15 Single Ambig)
&rst
ixpk= 604, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1144,1145, 797, 798,
&end
#
# 0 AMB 15-2:605 56 LYS HN 5.50 (# 605:15 Single Ambig)
&rst
ixpk= 605, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1069,1070,1071,1073,1074,1075,1147,1148,1149,
&end
#
# 0 AMB 15-2:606 56 LYS HN 5.50 (# 606:15 Single Ambig)
&rst
ixpk= 606, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1069,1070,1071,1073,1074,1075,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 55 ILE QG2 56 LYS HN 3.50 (# 607:15 Unique 2.03, 3.96 A)
&rst
ixpk= 607, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 843, 844, 845,
&end
#
# 0 AMB 15-2:608 56 LYS HN 4.50 (# 608:15 Single Ambig)
&rst
ixpk= 608, nxpk= 15, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1050,1051,1052, 850, 851, 852,
&end
#
# 56 LYS HN 57 GLY HN 4.50 (# 609:15 Unique 1.93, 2.47 A)
&rst
ixpk= 609, nxpk= 15, iat= 856, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLY HA+ 57 GLY HN 4.50 (# 610:15 Unique 2.44, 2.82 A)
&rst
ixpk= 610, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 881,
&end
#
# 0 AMB 15-2:611 57 GLY HN 5.50 (# 611:15 Single Ambig)
&rst
ixpk= 611, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 839, 714,
&end
#
# 0 AMB 15-2:612 57 GLY HN 5.50 (# 612:15 Single Ambig)
&rst
ixpk= 612, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 858, 783,
&end
#
# 57 GLY HA- 57 GLY HN 4.50 (# 613:15 Unique 2.44, 2.82 A)
&rst
ixpk= 613, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 881,
&end
#
# 0 AMB 15-2:614 57 GLY HN 5.50 (# 614:15 Single Ambig)
&rst
ixpk= 614, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 841,2451,
&end
#
# 0 AMB 15-2:615 57 GLY HN 5.50 (# 615:15 Single Ambig)
&rst
ixpk= 615, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1048, 740,
&end
#
# 0 AMB 15-2:617 57 GLY HN 4.50 (# 617:15 Single Ambig)
&rst
ixpk= 617, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 749, 750, 751,1050,1051,1052, 891, 892, 893, 895,
896, 897,
&end
#
# 55 ILE QG2 57 GLY HN 3.50 (# 618:15 Unique 2.14, 3.75 A)
&rst
ixpk= 618, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 843, 844, 845,
&end
#
# 45 VAL MGY 57 GLY HN 5.50 (# 619:15 Unique 3.51, 6.33 A)
&rst
ixpk= 619, nxpk= 15, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 46 THR HN 58 VAL HN 4.50 (# 620:15 Unique 2.46, 2.90 A)
&rst
ixpk= 620, nxpk= 15, iat= 698, 885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HN 58 VAL HN 5.50 (# 621:15 Unique 4.33, 4.94 A)
&rst
ixpk= 621, nxpk= 15, iat= 736, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HA 58 VAL HN 4.50 (# 622:15 Unique 2.93, 2.96 A)
&rst
ixpk= 622, nxpk= 15, iat= 887, 885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLY HA+ 58 VAL HN 3.50 (# 623:15 Unique 2.15, 2.60 A)
&rst
ixpk= 623, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 881,
&end
#
# 0 AMB 15-2:624 58 VAL HN 4.50 (# 624:15 Single Ambig)
&rst
ixpk= 624, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 700,
&end
#
# 45 VAL HA 58 VAL HN 5.50 (# 625:15 Unique 3.98, 4.41 A)
&rst
ixpk= 625, nxpk= 15, iat= 684, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 THR HB 58 VAL HN 5.50 (# 626:15 Unique 3.24, 3.77 A)
&rst
ixpk= 626, nxpk= 15, iat= 702, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLY HA- 58 VAL HN 3.50 (# 627:15 Unique 2.15, 2.60 A)
&rst
ixpk= 627, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 881,
&end
#
# 0 AMB 15-2:628 58 VAL HN 5.50 (# 628:15 Single Ambig)
&rst
ixpk= 628, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 889, 860, 861,
&end
#
# 0 AMB 15-2:629 58 VAL HN 4.50 (# 629:15 Single Ambig)
&rst
ixpk= 629, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,
&end
#
# 45 VAL MGY 58 VAL HN 4.50 (# 630:15 Unique 2.88, 5.52 A)
&rst
ixpk= 630, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 66 VAL HN 59 THR HN 4.50 (# 631:15 Unique 2.45, 2.59 A)
&rst
ixpk= 631, nxpk= 15, iat=1014, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 VAL HA 59 THR HN 2.80 (# 632:15 Unique 2.32, 2.43 A)
&rst
ixpk= 632, nxpk= 15, iat= 887, 901, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:633 59 THR HN 4.50 (# 633:15 Single Ambig)
&rst
ixpk= 633, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1040, 917,
&end
#
# 59 THR HA 59 THR HN 4.50 (# 634:15 Unique 2.93, 2.96 A)
&rst
ixpk= 634, nxpk= 15, iat= 903, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:635 59 THR HN 5.50 (# 635:15 Single Ambig)
&rst
ixpk= 635, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1016,1539,
&end
#
# 65 ILE HA 59 THR HN 5.50 (# 636:15 Unique 3.98, 4.24 A)
&rst
ixpk= 636, nxpk= 15, iat= 997, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 THR HB 59 THR HN 5.50 (# 637:15 Unique 2.98, 3.14 A)
&rst
ixpk= 637, nxpk= 15, iat= 905, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:638 59 THR HN 5.50 (# 638:15 Single Ambig)
&rst
ixpk= 638, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1018, 999,
&end
#
# 58 VAL HB 59 THR HN 3.50 (# 639:15 Unique 2.25, 2.62 A)
&rst
ixpk= 639, nxpk= 15, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 THR MG2 59 THR HN 3.50 (# 641:15 Unique 2.46, 3.48 A)
&rst
ixpk= 641, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 907, 908, 909,
&end
#
# 88 VAL MGY 59 THR HN 5.50 (# 642:15 Unique 6.11, 7.93 A)
&rst
ixpk= 642, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 15-2:643 59 THR HN 3.50 (# 643:15 Single Ambig)
&rst
ixpk= 643, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,1008,1009,1010,
&end
#
# 0 AMB 15-2:644 59 THR HN 5.50 (# 644:15 Single Ambig)
&rst
ixpk= 644, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
&end
#
# 61 LEU HN 60 ASN HN 5.50 (# 645:15 Unique 3.87, 4.25 A)
&rst
ixpk= 645, nxpk= 15, iat= 929, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HA 60 ASN HN 3.50 (# 646:15 Unique 2.88, 2.94 A)
&rst
ixpk= 646, nxpk= 15, iat= 917, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 THR HA 60 ASN HN 2.80 (# 647:15 Unique 2.14, 2.28 A)
&rst
ixpk= 647, nxpk= 15, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 THR HB 60 ASN HN 4.50 (# 648:15 Unique 3.79, 4.03 A)
&rst
ixpk= 648, nxpk= 15, iat= 905, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HB+ 60 ASN HN 3.50 (# 649:15 Unique 2.14, 2.59 A)
&rst
ixpk= 649, nxpk= 15, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 919, 920,
&end
#
# 60 ASN HB- 60 ASN HN 3.50 (# 650:15 Unique 2.14, 2.59 A)
&rst
ixpk= 650, nxpk= 15, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 919, 920,
&end
#
# 59 THR MG2 60 ASN HN 4.50 (# 651:15 Unique 3.02, 4.29 A)
&rst
ixpk= 651, nxpk= 15, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 907, 908, 909,
&end
#
# 0 AMB 15-2:652 60 ASN HN 5.50 (# 652:15 Single Ambig)
&rst
ixpk= 652, nxpk= 15, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1008,1009,1010, 891, 892, 893, 895, 896, 897, 891,
892, 893, 895, 896, 897,
&end
#
# 60 ASN HN 61 LEU HN 5.50 (# 653:15 Unique 3.87, 4.25 A)
&rst
ixpk= 653, nxpk= 15, iat= 915, 929, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HN 61 LEU HN 5.50 (# 654:15 Unique 3.10, 3.44 A)
&rst
ixpk= 654, nxpk= 15, iat= 979, 929, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HA 61 LEU HN 2.80 (# 655:15 Unique 2.13, 2.19 A)
&rst
ixpk= 655, nxpk= 15, iat= 917, 929, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 LEU HA 61 LEU HN 4.50 (# 658:15 Unique 2.91, 2.95 A)
&rst
ixpk= 658, nxpk= 15, iat= 931, 929, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 ILE HA 61 LEU HN 3.50 (# 660:15 Unique 2.14, 2.46 A)
&rst
ixpk= 660, nxpk= 15, iat= 997, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:661 61 LEU HN 5.50 (# 661:15 Single Ambig)
&rst
ixpk= 661, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 669, 670, 983,
&end
#
# 61 LEU HB+ 61 LEU HN 3.50 (# 662:15 Unique 2.21, 3.16 A)
&rst
ixpk= 662, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 933, 934,
&end
#
# 61 LEU HG 61 LEU HN 5.50 (# 663:15 Unique 2.28, 2.82 A)
&rst
ixpk= 663, nxpk= 15, iat= 936, 929, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HB- 61 LEU HN 4.50 (# 664:15 Unique 2.21, 3.16 A)
&rst
ixpk= 664, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 933, 934,
&end
#
# 0 AMB 15-2:665 61 LEU HN 4.50 (# 665:15 Single Ambig)
&rst
ixpk= 665, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 0 AMB 15-2:666 61 LEU HN 3.50 (# 666:15 Single Ambig)
&rst
ixpk= 666, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 938, 939, 940, 942, 943, 944,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
&end
#
# 0 AMB 15-2:667 61 LEU HN 3.50 (# 667:15 Single Ambig)
&rst
ixpk= 667, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1008,1009,1010,1411,1412,1413,1415,1416,1417,
&end
#
# 63 GLY HN 62 ARG HN 5.50 (# 668:15 Unique 2.97, 3.22 A)
&rst
ixpk= 668, nxpk= 15, iat= 972, 948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HA 62 ARG HN 3.50 (# 670:15 Unique 2.16, 2.29 A)
&rst
ixpk= 670, nxpk= 15, iat= 931, 948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ARG HA 62 ARG HN 3.50 (# 671:15 Unique 2.24, 2.38 A)
&rst
ixpk= 671, nxpk= 15, iat= 950, 948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:672 62 ARG HN 5.50 (# 672:15 Single Ambig)
&rst
ixpk= 672, nxpk= 15, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 952, 953, 952, 953,
&end
#
# 62 ARG HG+ 62 ARG HN 5.50 (# 674:15 Unique 1.91, 3.30 A)
&rst
ixpk= 674, nxpk= 15, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 955, 956,
&end
#
# 62 ARG HG- 62 ARG HN 5.50 (# 675:15 Unique 1.91, 3.30 A)
&rst
ixpk= 675, nxpk= 15, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 955, 956,
&end
#
# 61 LEU MDX 62 ARG HN 5.50 (# 676:15 Unique 2.49, 5.67 A)
&rst
ixpk= 676, nxpk= 15, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 938, 939, 940, 942, 943, 944,
&end
#
# 62 ARG HN 63 GLY HN 4.50 (# 677:15 Unique 2.97, 3.22 A)
&rst
ixpk= 677, nxpk= 15, iat= 948, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HN 63 GLY HN 3.50 (# 678:15 Unique 1.88, 2.17 A)
&rst
ixpk= 678, nxpk= 15, iat= 979, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 LEU HA 63 GLY HN 4.50 (# 681:15 Unique 4.34, 4.49 A)
&rst
ixpk= 681, nxpk= 15, iat= 931, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLY HA+ 63 GLY HN 2.80 (# 682:15 Unique 2.38, 2.76 A)
&rst
ixpk= 682, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 974, 975,
&end
#
# 62 ARG HA 63 GLY HN 3.50 (# 683:15 Unique 2.51, 2.94 A)
&rst
ixpk= 683, nxpk= 15, iat= 950, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 GLY HA- 63 GLY HN 2.80 (# 684:15 Unique 2.38, 2.76 A)
&rst
ixpk= 684, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 974, 975,
&end
#
# 0 AMB 15-2:686 63 GLY HN 5.50 (# 686:15 Single Ambig)
&rst
ixpk= 686, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 61 LEU MDX 63 GLY HN 5.50 (# 687:15 Unique 1.76, 6.08 A)
&rst
ixpk= 687, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 938, 939, 940, 942, 943, 944,
&end
#
# 61 LEU HN 64 VAL HN 4.50 (# 688:15 Unique 3.10, 3.44 A)
&rst
ixpk= 688, nxpk= 15, iat= 929, 979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 ILE HN 64 VAL HN 5.50 (# 689:15 Unique 4.17, 4.30 A)
&rst
ixpk= 689, nxpk= 15, iat= 995, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLY HN 64 VAL HN 3.50 (# 690:15 Unique 1.88, 2.17 A)
&rst
ixpk= 690, nxpk= 15, iat= 972, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HA 64 VAL HN 5.50 (# 691:15 Unique 4.26, 4.51 A)
&rst
ixpk= 691, nxpk= 15, iat= 917, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLY HA+ 64 VAL HN 3.50 (# 692:15 Unique 3.02, 3.34 A)
&rst
ixpk= 692, nxpk= 15, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 974, 975,
&end
#
# 64 VAL HA 64 VAL HN 3.50 (# 693:15 Unique 2.86, 2.95 A)
&rst
ixpk= 693, nxpk= 15, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ARG HA 64 VAL HN 5.50 (# 694:15 Unique 4.29, 4.60 A)
&rst
ixpk= 694, nxpk= 15, iat= 950, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLY HA- 64 VAL HN 3.50 (# 695:15 Unique 3.02, 3.34 A)
&rst
ixpk= 695, nxpk= 15, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 974, 975,
&end
#
# 64 VAL HB 64 VAL HN 3.50 (# 696:15 Unique 3.01, 3.13 A)
&rst
ixpk= 696, nxpk= 15, iat= 983, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:697 64 VAL HN 5.50 (# 697:15 Single Ambig)
&rst
ixpk= 697, nxpk= 15, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 952, 953, 952, 953,
&end
#
# 0 AMB 15-2:699 64 VAL HN 2.80 (# 699:15 Single Ambig)
&rst
ixpk= 699, nxpk= 15, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 61 LEU MDX 64 VAL HN 4.50 (# 700:15 Unique 2.03, 4.83 A)
&rst
ixpk= 700, nxpk= 15, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 938, 939, 940, 942, 943, 944,
&end
#
# 65 ILE QD1 64 VAL HN 5.50 (# 701:15 Unique 5.27, 6.59 A)
&rst
ixpk= 701, nxpk= 15, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1008,1009,1010,
&end
#
# 66 VAL HN 65 ILE HN 5.50 (# 702:15 Unique 4.26, 4.43 A)
&rst
ixpk= 702, nxpk= 15, iat=1014, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HN 65 ILE HN 5.50 (# 703:15 Unique 4.17, 4.30 A)
&rst
ixpk= 703, nxpk= 15, iat= 979, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE HA 65 ILE HN 3.50 (# 704:15 Unique 2.92, 2.95 A)
&rst
ixpk= 704, nxpk= 15, iat= 997, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 VAL HA 65 ILE HN 3.50 (# 705:15 Unique 2.78, 2.93 A)
&rst
ixpk= 705, nxpk= 15, iat= 981, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 ILE HB 65 ILE HN 2.80 (# 706:15 Unique 2.61, 2.83 A)
&rst
ixpk= 706, nxpk= 15, iat= 999, 995, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:707 65 ILE HN 4.50 (# 707:15 Single Ambig)
&rst
ixpk= 707, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1005,1006,1005,1006,
&end
#
# 61 LEU HG 65 ILE HN 3.50 (# 708:15 Unique 3.38, 3.52 A)
&rst
ixpk= 708, nxpk= 15, iat= 936, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:709 65 ILE HN 2.80 (# 709:15 Single Ambig)
&rst
ixpk= 709, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 0 AMB 15-2:710 65 ILE HN 3.50 (# 710:15 Single Ambig)
&rst
ixpk= 710, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1001,1002,1003, 938, 939, 940, 942, 943, 944,
&end
#
# 0 AMB 15-2:711 65 ILE HN 4.50 (# 711:15 Single Ambig)
&rst
ixpk= 711, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1008,1009,1010, 891, 892, 893, 895, 896, 897,
&end
#
# 59 THR HN 66 VAL HN 4.50 (# 712:15 Unique 2.45, 2.59 A)
&rst
ixpk= 712, nxpk= 15, iat= 901,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:713 66 VAL HN 5.50 (# 713:15 Single Ambig)
&rst
ixpk= 713, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 917,1040,
&end
#
# 66 VAL HA 66 VAL HN 4.50 (# 714:15 Unique 2.92, 2.94 A)
&rst
ixpk= 714, nxpk= 15, iat=1016,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 PRO HD+ 66 VAL HN 5.50 (# 715:15 Unique 4.58, 4.81 A)
&rst
ixpk= 715, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1031,1032,
&end
#
# 65 ILE HA 66 VAL HN 2.80 (# 716:15 Unique 2.23, 2.30 A)
&rst
ixpk= 716, nxpk= 15, iat= 997,1014, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 PRO HD- 66 VAL HN 5.50 (# 717:15 Unique 4.58, 4.81 A)
&rst
ixpk= 717, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1031,1032,
&end
#
# 66 VAL HB 66 VAL HN 3.50 (# 718:15 Unique 2.66, 3.06 A)
&rst
ixpk= 718, nxpk= 15, iat=1018,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL HB 66 VAL HN 4.50 (# 719:15 Unique 3.25, 3.62 A)
&rst
ixpk= 719, nxpk= 15, iat= 889,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 THR MG2 66 VAL HN 5.50 (# 720:15 Unique 2.87, 4.25 A)
&rst
ixpk= 720, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 907, 908, 909,
&end
#
# 0 AMB 15-2:721 66 VAL HN 4.50 (# 721:15 Single Ambig)
&rst
ixpk= 721, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1527,1528,1529,1531,1532,1533, 985, 986, 987, 989,
990, 991, 985, 986, 987, 989, 990, 991,1376,1377,
1378,1380,1381,1382,
&end
#
# 0 AMB 15-2:722 66 VAL HN 2.80 (# 722:15 Single Ambig)
&rst
ixpk= 722, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,1001,1002,1003,
&end
#
# 0 AMB 15-2:723 66 VAL HN 2.80 (# 723:15 Single Ambig)
&rst
ixpk= 723, nxpk= 15, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1008,1009,1010, 891, 892, 893, 895, 896, 897, 891,
892, 893, 895, 896, 897,
&end
#
# 100 ILE HA 69 VAL HN 5.50 (# 724:15 Unique 2.53, 2.96 A)
&rst
ixpk= 724, nxpk= 15, iat=1562,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ILE HA 69 VAL HN 2.80 (# 725:15 Unique 1.93, 2.06 A)
&rst
ixpk= 725, nxpk= 15, iat=1046,1063, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL HB 69 VAL HN 4.50 (# 726:15 Unique 2.14, 3.27 A)
&rst
ixpk= 726, nxpk= 15, iat=1067,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 VAL MGY 69 VAL HN 3.50 (# 727:15 Unique 2.14, 3.75 A)
&rst
ixpk= 727, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 15-2:728 69 VAL HN 3.50 (# 728:15 Single Ambig)
&rst
ixpk= 728, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1069,1070,1071,1073,1074,1075,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,
&end
#
# 100 ILE QG2 69 VAL HN 4.50 (# 729:15 Unique 2.74, 4.20 A)
&rst
ixpk= 729, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1566,1567,1568,
&end
#
# 68 ILE QG2 69 VAL HN 3.50 (# 730:15 Unique 2.38, 3.40 A)
&rst
ixpk= 730, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1050,1051,1052,
&end
#
# 0 AMB 15-2:731 69 VAL HN 4.50 (# 731:15 Single Ambig)
&rst
ixpk= 731, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,2333,
2334,2335,2337,2338,2339,
&end
#
# 69 VAL HA 70 ASP HN 2.80 (# 732:15 Unique 2.13, 2.53 A)
&rst
ixpk= 732, nxpk= 15, iat=1065,1079, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 PHE HA 70 ASP HN 5.50 (# 733:15 Unique 3.59, 5.27 A)
&rst
ixpk= 733, nxpk= 15, iat= 819,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP HB+ 70 ASP HN 5.50 (# 734:15 Unique 2.09, 2.94 A)
&rst
ixpk= 734, nxpk= 15, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1083,1084,
&end
#
# 70 ASP HB- 70 ASP HN 4.50 (# 735:15 Unique 2.09, 2.94 A)
&rst
ixpk= 735, nxpk= 15, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1083,1084,
&end
#
# 0 AMB 15-2:736 70 ASP HN 5.50 (# 736:15 Single Ambig)
&rst
ixpk= 736, nxpk= 15, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1138,1114,1115,1114,1115,
&end
#
# 0 AMB 15-2:737 70 ASP HN 3.50 (# 737:15 Single Ambig)
&rst
ixpk= 737, nxpk= 15, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1147,1148,1149,1069,1070,1071,1073,1074,1075,
&end
#
# 69 VAL MGX 70 ASP HN 4.50 (# 738:15 Unique 2.12, 4.23 A)
&rst
ixpk= 738, nxpk= 15, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 15-2:739 70 ASP HN 5.50 (# 739:15 Single Ambig)
&rst
ixpk= 739, nxpk= 15, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1050,1051,1052,1163,1164,2333,2334,2335,2337,2338,
2339,
&end
#
# 101 VAL HN 71 LEU HN 5.50 (# 740:15 Unique 3.39, 4.33 A)
&rst
ixpk= 740, nxpk= 15, iat=1579,1091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HN 71 LEU HN 5.50 (# 741:15 Unique 2.04, 2.48 A)
&rst
ixpk= 741, nxpk= 15, iat=1110,1091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ILE HA 71 LEU HN 5.50 (# 742:15 Unique 4.70, 5.32 A)
&rst
ixpk= 742, nxpk= 15, iat=1562,1091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP HA 71 LEU HN 3.50 (# 743:15 Unique 2.11, 2.27 A)
&rst
ixpk= 743, nxpk= 15, iat=1081,1091, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 LEU HA 71 LEU HN 5.50 (# 744:15 Unique 2.87, 2.92 A)
&rst
ixpk= 744, nxpk= 15, iat=1093,1091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 VAL HB 71 LEU HN 5.50 (# 745:15 Unique 3.73, 4.99 A)
&rst
ixpk= 745, nxpk= 15, iat=1583,1091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HB+ 71 LEU HN 4.50 (# 746:15 Unique 2.42, 3.12 A)
&rst
ixpk= 746, nxpk= 15, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1095,1096,
&end
#
# 71 LEU HG 71 LEU HN 4.50 (# 747:15 Unique 2.27, 2.74 A)
&rst
ixpk= 747, nxpk= 15, iat=1098,1091, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 LEU HB- 71 LEU HN 4.50 (# 748:15 Unique 2.42, 3.12 A)
&rst
ixpk= 748, nxpk= 15, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1095,1096,
&end
#
# 0 AMB 15-2:749 71 LEU HN 4.50 (# 749:15 Single Ambig)
&rst
ixpk= 749, nxpk= 15, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585,1586,1587,1589,1590,1591,1585,1586,1587,1589,
1590,1591,
&end
#
# 0 AMB 15-2:750 71 LEU HN 3.50 (# 750:15 Single Ambig)
&rst
ixpk= 750, nxpk= 15, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 71 LEU HN 72 ARG HN 3.50 (# 751:15 Unique 2.04, 2.48 A)
&rst
ixpk= 751, nxpk= 15, iat=1091,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ILE HN 72 ARG HN 4.50 (# 752:15 Unique 2.55, 2.67 A)
&rst
ixpk= 752, nxpk= 15, iat=1134,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ARG HA 72 ARG HN 3.50 (# 753:15 Unique 2.80, 2.87 A)
&rst
ixpk= 753, nxpk= 15, iat=1112,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:756 72 ARG HN 3.50 (# 756:15 Single Ambig)
&rst
ixpk= 756, nxpk= 15, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1210,1211,1117,1118,1117,1118,
&end
#
# 0 AMB 15-2:757 72 ARG HN 3.50 (# 757:15 Single Ambig)
&rst
ixpk= 757, nxpk= 15, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1114,1115,1114,1115,
&end
#
# 73 ILE HG1- 72 ARG HN 4.50 (# 758:15 Unique 3.50, 4.53 A)
&rst
ixpk= 758, nxpk= 15, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 0 AMB 15-2:759 72 ARG HN 4.50 (# 759:15 Single Ambig)
&rst
ixpk= 759, nxpk= 15, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1147,1148,1149, 356, 357, 358, 360, 361, 362,1585,
1586,1587,1589,1590,1591,1585,1586,1587,1589,1590,
1591,
&end
#
# 0 AMB 15-2:760 72 ARG HN 4.50 (# 760:15 Single Ambig)
&rst
ixpk= 760, nxpk= 15, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 24 LEU MDY 72 ARG HN 5.50 (# 761:15 Unique 3.55, 6.18 A)
&rst
ixpk= 761, nxpk= 15, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 72 ARG HN 73 ILE HN 5.50 (# 762:15 Unique 2.55, 2.67 A)
&rst
ixpk= 762, nxpk= 15, iat=1110,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LYS HN 73 ILE HN 4.50 (# 763:15 Unique 2.13, 2.76 A)
&rst
ixpk= 763, nxpk= 15, iat=1153,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:764 73 ILE HN 3.50 (# 764:15 Single Ambig)
&rst
ixpk= 764, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1136,1112,
&end
#
# 0 AMB 15-2:766 73 ILE HN 3.50 (# 766:15 Single Ambig)
&rst
ixpk= 766, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1114,1115,1114,1115,1138,
&end
#
# 73 ILE HG1- 73 ILE HN 4.50 (# 767:15 Unique 1.83, 2.67 A)
&rst
ixpk= 767, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 73 ILE HG1+ 73 ILE HN 4.50 (# 768:15 Unique 1.83, 2.67 A)
&rst
ixpk= 768, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 0 AMB 15-2:769 73 ILE HN 4.50 (# 769:15 Single Ambig)
&rst
ixpk= 769, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1147,1148,1149,1140,1141,1142,
&end
#
# 0 AMB 15-2:770 73 ILE HN 5.50 (# 770:15 Single Ambig)
&rst
ixpk= 770, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97,
igr1=1163,1164,1100,1101,1102,1104,1105,1106,1100,1101,
1102,1104,1105,1106,1257,1258,1259,1261,1262,1263,
1257,1258,1259,1261,1262,1263,
&end
#
# 130 TYR HN 131 LEU HN 2.80 (# 771:15 Unique 1.78, 2.57 A)
&rst
ixpk= 771, nxpk= 15, iat=2005,2026, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 LEU HA 131 LEU HN 4.50 (# 772:15 Unique 2.14, 2.64 A)
&rst
ixpk= 772, nxpk= 15, iat=2028,2026, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TYR HA 131 LEU HN 5.50 (# 773:15 Unique 2.26, 2.87 A)
&rst
ixpk= 773, nxpk= 15, iat=2007,2026, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:774 74 LYS HN 4.50 (# 774:15 Single Ambig)
&rst
ixpk= 774, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1093,1136,1112,
&end
#
# 0 AMB 15-2:775 0 AMB 15-1:775 4.50 (# 775:15 Double Ambig)
&rst
ixpk= 775, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1978,1155,
igr2=2026,1153,
&end
#
# 0 AMB 15-2:776 0 AMB 15-1:776 2.80 (# 776:15 Double Ambig)
&rst
ixpk= 776, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2033,2030,2031,1138,
igr2=2026,1153,
&end
#
# 131 LEU HB- 131 LEU HN 4.50 (# 777:15 Unique 2.07, 2.98 A)
&rst
ixpk= 777, nxpk= 15, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2030,2031,
&end
#
# 0 AMB 15-2:778 74 LYS HN 4.50 (# 778:15 Single Ambig)
&rst
ixpk= 778, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1144,1145,1157,1158,
&end
#
# 0 AMB 15-2:779 131 LEU HN 3.50 (# 779:15 Single Ambig)
&rst
ixpk= 779, nxpk= 15, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 74 LYS HB+ 74 LYS HN 4.50 (# 780:15 Unique 2.35, 3.12 A)
&rst
ixpk= 780, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 0 AMB 15-2:781 74 LYS HN 4.50 (# 781:15 Single Ambig)
&rst
ixpk= 781, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1140,1141,1142,1147,1148,1149,1069,1070,1071,1073,
1074,1075,1069,1070,1071,1073,1074,1075,
&end
#
# 76 SER HN 75 PHE HN 2.80 (# 782:15 Unique 2.07, 2.35 A)
&rst
ixpk= 782, nxpk= 15, iat=1195,1175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 PHE HA 75 PHE HN 3.50 (# 785:15 Unique 2.91, 2.96 A)
&rst
ixpk= 785, nxpk= 15, iat=1177,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:786 75 PHE HN 4.50 (# 786:15 Single Ambig)
&rst
ixpk= 786, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1197,1918,
&end
#
# 72 ARG HA 75 PHE HN 4.50 (# 787:15 Unique 2.62, 3.90 A)
&rst
ixpk= 787, nxpk= 15, iat=1112,1175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LYS HA 75 PHE HN 5.50 (# 788:15 Unique 3.47, 3.59 A)
&rst
ixpk= 788, nxpk= 15, iat=1155,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 PHE HB+ 75 PHE HN 3.50 (# 789:15 Unique 2.20, 2.75 A)
&rst
ixpk= 789, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1179,1180,
&end
#
# 75 PHE HB- 75 PHE HN 3.50 (# 790:15 Unique 2.20, 2.75 A)
&rst
ixpk= 790, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1179,1180,
&end
#
# 74 LYS HB+ 75 PHE HN 4.50 (# 791:15 Unique 2.14, 3.43 A)
&rst
ixpk= 791, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 74 LYS HB- 75 PHE HN 4.50 (# 792:15 Unique 2.14, 3.43 A)
&rst
ixpk= 792, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 0 AMB 15-2:793 75 PHE HN 5.50 (# 793:15 Single Ambig)
&rst
ixpk= 793, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1922,1923,1924,1926,1927,1928,1140,1141,1142,
&end
#
# 0 AMB 15-2:794 75 PHE HN 5.50 (# 794:15 Single Ambig)
&rst
ixpk= 794, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1163,1164,1100,1101,1102,1104,1105,1106,1100,1101,
1102,1104,1105,1106,
&end
#
# 77 GLN HN 76 SER HN 3.50 (# 795:15 Unique 2.60, 2.99 A)
&rst
ixpk= 795, nxpk= 15, iat=1206,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 PHE HN 76 SER HN 2.80 (# 796:15 Unique 2.07, 2.35 A)
&rst
ixpk= 796, nxpk= 15, iat=1175,1195, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 LEU HN 76 SER HN 5.50 (# 797:15 Unique 4.45, 5.23 A)
&rst
ixpk= 797, nxpk= 15, iat=1946,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 PHE HA 76 SER HN 3.50 (# 798:15 Unique 2.95, 3.34 A)
&rst
ixpk= 798, nxpk= 15, iat=1177,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 SER HA 76 SER HN 2.80 (# 799:15 Unique 2.19, 2.25 A)
&rst
ixpk= 799, nxpk= 15, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:800 76 SER HN 3.50 (# 800:15 Single Ambig)
&rst
ixpk= 800, nxpk= 15, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1112,1199,1200,1199,1200,
&end
#
# 75 PHE HB+ 76 SER HN 5.50 (# 801:15 Unique 2.07, 3.94 A)
&rst
ixpk= 801, nxpk= 15, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1179,1180,
&end
#
# 75 PHE HB- 76 SER HN 5.50 (# 802:15 Unique 2.07, 3.94 A)
&rst
ixpk= 802, nxpk= 15, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1179,1180,
&end
#
# 0 AMB 15-2:803 76 SER HN 5.50 (# 803:15 Single Ambig)
&rst
ixpk= 803, nxpk= 15, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1920,1213,1214,1213,1214,1166,1167,1166,1167,
&end
#
# 0 AMB 15-2:804 76 SER HN 5.50 (# 804:15 Single Ambig)
&rst
ixpk= 804, nxpk= 15, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1922,1923,1924,1926,1927,1928,1140,1141,1142,
&end
#
# 72 ARG HN 77 GLN HN 5.50 (# 805:15 Unique 4.15, 4.72 A)
&rst
ixpk= 805, nxpk= 15, iat=1110,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:806 77 GLN HN 2.80 (# 806:15 Single Ambig)
&rst
ixpk= 806, nxpk= 15, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1195,1223,
&end
#
# 75 PHE HN 77 GLN HN 4.50 (# 807:15 Unique 3.36, 4.05 A)
&rst
ixpk= 807, nxpk= 15, iat=1175,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:809 77 GLN HN 2.80 (# 809:15 Single Ambig)
&rst
ixpk= 809, nxpk= 15, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1197,1208,
&end
#
# 72 ARG HA 77 GLN HN 3.50 (# 810:15 Unique 1.81, 2.28 A)
&rst
ixpk= 810, nxpk= 15, iat=1112,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:811 77 GLN HN 3.50 (# 811:15 Single Ambig)
&rst
ixpk= 811, nxpk= 15, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1213,1214,1213,1214,
&end
#
# 77 GLN HB+ 77 GLN HN 3.50 (# 812:15 Unique 2.11, 2.69 A)
&rst
ixpk= 812, nxpk= 15, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 0 AMB 15-2:814 77 GLN HN 3.50 (# 814:15 Single Ambig)
&rst
ixpk= 814, nxpk= 15, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1210,1211,1117,1118,1117,1118,
&end
#
# 0 AMB 15-2:815 77 GLN HN 5.50 (# 815:15 Single Ambig)
&rst
ixpk= 815, nxpk= 15, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,1922,1923,1924,1926,1927,1928,1140,1141,
1142,
&end
#
# 77 GLN HN 78 VAL HN 5.50 (# 817:15 Unique 2.98, 4.40 A)
&rst
ixpk= 817, nxpk= 15, iat=1206,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ASP HN 78 VAL HN 5.50 (# 818:15 Unique 2.65, 3.25 A)
&rst
ixpk= 818, nxpk= 15, iat=1239,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLN HA 78 VAL HN 2.80 (# 819:15 Unique 2.16, 2.49 A)
&rst
ixpk= 819, nxpk= 15, iat=1208,1223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 VAL HA 78 VAL HN 3.50 (# 820:15 Unique 2.61, 2.71 A)
&rst
ixpk= 820, nxpk= 15, iat=1225,1223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:821 78 VAL HN 5.50 (# 821:15 Single Ambig)
&rst
ixpk= 821, nxpk= 15, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 368, 369,1112,
&end
#
# 0 AMB 15-2:822 78 VAL HN 4.50 (# 822:15 Single Ambig)
&rst
ixpk= 822, nxpk= 15, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1213,1214,1213,1214,
&end
#
# 77 GLN HB+ 78 VAL HN 4.50 (# 823:15 Unique 2.17, 3.65 A)
&rst
ixpk= 823, nxpk= 15, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1210,1211,
&end
#
# 78 VAL HB 78 VAL HN 3.50 (# 824:15 Unique 2.56, 2.98 A)
&rst
ixpk= 824, nxpk= 15, iat=1227,1223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:825 78 VAL HN 2.80 (# 825:15 Single Ambig)
&rst
ixpk= 825, nxpk= 15, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
&end
#
# 80 VAL HN 79 ASP HN 3.50 (# 826:15 Unique 1.76, 3.11 A)
&rst
ixpk= 826, nxpk= 15, iat=1251,1239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 VAL HN 79 ASP HN 4.50 (# 827:15 Unique 2.65, 3.25 A)
&rst
ixpk= 827, nxpk= 15, iat=1223,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 ASP HA 79 ASP HN 2.80 (# 829:15 Unique 2.46, 2.80 A)
&rst
ixpk= 829, nxpk= 15, iat=1241,1239, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 VAL HA 79 ASP HN 3.50 (# 831:15 Unique 3.52, 3.57 A)
&rst
ixpk= 831, nxpk= 15, iat=1225,1239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HB+ 79 ASP HN 3.50 (# 832:15 Unique 2.99, 3.42 A)
&rst
ixpk= 832, nxpk= 15, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1243,1244,
&end
#
# 79 ASP HB- 79 ASP HN 2.80 (# 833:15 Unique 2.99, 3.42 A)
&rst
ixpk= 833, nxpk= 15, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1243,1244,
&end
#
# 0 AMB 15-2:834 79 ASP HN 5.50 (# 834:15 Single Ambig)
&rst
ixpk= 834, nxpk= 15, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1213,1214,1213,1214,
&end
#
# 77 GLN HB+ 79 ASP HN 5.50 (# 835:15 Unique 3.48, 5.14 A)
&rst
ixpk= 835, nxpk= 15, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1210,1211,
&end
#
# 78 VAL HB 79 ASP HN 2.80 (# 836:15 Unique 1.92, 2.34 A)
&rst
ixpk= 836, nxpk= 15, iat=1227,1239, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:837 79 ASP HN 2.80 (# 837:15 Single Ambig)
&rst
ixpk= 837, nxpk= 15, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
&end
#
# 0 AMB 15-2:838 79 ASP HN 5.50 (# 838:15 Single Ambig)
&rst
ixpk= 838, nxpk= 15, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 139 ASP HN 140 ARG HN 3.50 (# 839:15 Unique 1.74, 1.83 A)
&rst
ixpk= 839, nxpk= 15, iat=2128,2140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 MET HN 140 ARG HN 4.50 (# 840:15 Unique 4.40, 4.53 A)
&rst
ixpk= 840, nxpk= 15, iat=2164,2140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 LEU HN 140 ARG HN 4.50 (# 841:15 Unique 2.73, 3.02 A)
&rst
ixpk= 841, nxpk= 15, iat=2102,2140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 ALA HA 140 ARG HN 5.50 (# 842:15 Unique 4.57, 4.90 A)
&rst
ixpk= 842, nxpk= 15, iat=2094,2140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 LEU HA 140 ARG HN 5.50 (# 844:15 Unique 4.54, 4.61 A)
&rst
ixpk= 844, nxpk= 15, iat=2104,2140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 ARG HA 140 ARG HN 3.50 (# 845:15 Unique 2.92, 2.97 A)
&rst
ixpk= 845, nxpk= 15, iat=2142,2140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 GLY HA+ 140 ARG HN 4.50 (# 846:15 Unique 4.00, 4.61 A)
&rst
ixpk= 846, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2123,2124,
&end
#
# 138 GLY HA- 140 ARG HN 5.50 (# 847:15 Unique 4.00, 4.61 A)
&rst
ixpk= 847, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2123,2124,
&end
#
# 140 ARG HD+ 140 ARG HN 5.50 (# 848:15 Unique 3.72, 4.81 A)
&rst
ixpk= 848, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2150,2151,
&end
#
# 140 ARG HD- 140 ARG HN 5.50 (# 849:15 Unique 3.72, 4.81 A)
&rst
ixpk= 849, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2150,2151,
&end
#
# 139 ASP HB+ 140 ARG HN 5.50 (# 851:15 Unique 3.19, 3.93 A)
&rst
ixpk= 851, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2132,2133,
&end
#
# 140 ARG HB+ 140 ARG HN 2.80 (# 852:15 Unique 2.10, 3.09 A)
&rst
ixpk= 852, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2144,2145,
&end
#
# 140 ARG HG+ 140 ARG HN 2.80 (# 853:15 Unique 2.34, 3.44 A)
&rst
ixpk= 853, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2147,2148,
&end
#
# 140 ARG HB- 140 ARG HN 2.80 (# 854:15 Unique 2.10, 3.09 A)
&rst
ixpk= 854, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2144,2145,
&end
#
# 140 ARG HG- 140 ARG HN 3.50 (# 855:15 Unique 2.34, 3.44 A)
&rst
ixpk= 855, nxpk= 15, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2147,2148,
&end
#
# 85 ASN HN 83 ASN HN 5.50 (# 856:15 Unique 2.38, 2.65 A)
&rst
ixpk= 856, nxpk= 15, iat=1326,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 TYR HN 83 ASN HN 5.50 (# 857:15 Unique 2.65, 3.09 A)
&rst
ixpk= 857, nxpk= 15, iat=1279,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:858 83 ASN HN 5.50 (# 858:15 Single Ambig)
&rst
ixpk= 858, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1309,1310,1340,
&end
#
# 83 ASN HA 83 ASN HN 4.50 (# 861:15 Unique 2.93, 2.96 A)
&rst
ixpk= 861, nxpk= 15, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR HA 83 ASN HN 3.50 (# 863:15 Unique 2.62, 2.85 A)
&rst
ixpk= 863, nxpk= 15, iat=1281,1300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 THR HB 83 ASN HN 5.50 (# 864:15 Unique 2.87, 3.72 A)
&rst
ixpk= 864, nxpk= 15, iat=1344,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ASN HB+ 83 ASN HN 5.50 (# 865:15 Unique 2.66, 3.34 A)
&rst
ixpk= 865, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1304,1305,
&end
#
# 0 AMB 15-2:866 83 ASN HN 5.50 (# 866:15 Single Ambig)
&rst
ixpk= 866, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305,1330,1331,
&end
#
# 82 TYR HB+ 83 ASN HN 4.50 (# 867:15 Unique 4.06, 4.45 A)
&rst
ixpk= 867, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1283,1284,
&end
#
# 0 AMB 15-2:868 83 ASN HN 4.50 (# 868:15 Single Ambig)
&rst
ixpk= 868, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1283,1284, 657, 658,
&end
#
# 0 AMB 15-2:869 83 ASN HN 5.50 (# 869:15 Single Ambig)
&rst
ixpk= 869, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1271,1272,1271,1272,
&end
#
# 86 THR MG2 83 ASN HN 5.50 (# 870:15 Unique 4.36, 5.52 A)
&rst
ixpk= 870, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 85 ASN HN 84 ASP HN 5.50 (# 871:15 Unique 1.78, 2.32 A)
&rst
ixpk= 871, nxpk= 15, iat=1326,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ASN HD2+ 84 ASP HN 5.50 (# 872:15 Unique 2.36, 4.54 A)
&rst
ixpk= 872, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1310,
&end
#
# 83 ASN HA 84 ASP HN 4.50 (# 873:15 Unique 2.77, 3.43 A)
&rst
ixpk= 873, nxpk= 15, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ASP HA 84 ASP HN 5.50 (# 875:15 Unique 2.19, 2.80 A)
&rst
ixpk= 875, nxpk= 15, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ASN HB+ 84 ASP HN 4.50 (# 876:15 Unique 2.56, 3.79 A)
&rst
ixpk= 876, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1304,1305,
&end
#
# 83 ASN HB- 84 ASP HN 4.50 (# 877:15 Unique 2.56, 3.79 A)
&rst
ixpk= 877, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1304,1305,
&end
#
# 84 ASP HB+ 84 ASP HN 5.50 (# 878:15 Unique 2.32, 2.81 A)
&rst
ixpk= 878, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1318,1319,
&end
#
# 84 ASP HB- 84 ASP HN 5.50 (# 879:15 Unique 2.32, 2.81 A)
&rst
ixpk= 879, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1318,1319,
&end
#
# 83 ASN HN 85 ASN HN 5.50 (# 880:15 Unique 2.38, 2.65 A)
&rst
ixpk= 880, nxpk= 15, iat=1300,1326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ASP HN 85 ASN HN 3.50 (# 881:15 Unique 1.78, 2.32 A)
&rst
ixpk= 881, nxpk= 15, iat=1314,1326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 THR HN 85 ASN HN 2.80 (# 882:15 Unique 2.25, 2.62 A)
&rst
ixpk= 882, nxpk= 15, iat=1340,1326, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 ASN HD2+ 85 ASN HN 4.50 (# 883:15 Unique 3.69, 4.86 A)
&rst
ixpk= 883, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1335,1336,
&end
#
# 85 ASN HD2- 85 ASN HN 5.50 (# 884:15 Unique 3.69, 4.86 A)
&rst
ixpk= 884, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1335,1336,
&end
#
# 83 ASN HA 85 ASN HN 5.50 (# 885:15 Unique 3.48, 4.21 A)
&rst
ixpk= 885, nxpk= 15, iat=1302,1326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ASN HA 85 ASN HN 2.80 (# 886:15 Unique 2.22, 2.80 A)
&rst
ixpk= 886, nxpk= 15, iat=1328,1326, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:887 85 ASN HN 3.50 (# 887:15 Single Ambig)
&rst
ixpk= 887, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1316,1281,
&end
#
# 0 AMB 15-2:888 85 ASN HN 5.50 (# 888:15 Single Ambig)
&rst
ixpk= 888, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1342, 634,
&end
#
# 0 AMB 15-2:890 85 ASN HN 5.50 (# 890:15 Single Ambig)
&rst
ixpk= 890, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305, 636, 637,
&end
#
# 85 ASN HB+ 85 ASN HN 3.50 (# 891:15 Unique 2.58, 3.17 A)
&rst
ixpk= 891, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1330,1331,
&end
#
# 0 AMB 15-2:892 85 ASN HN 2.80 (# 892:15 Single Ambig)
&rst
ixpk= 892, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1330,1331,1318,1319,
&end
#
# 84 ASP HB- 85 ASN HN 4.50 (# 893:15 Unique 2.91, 3.97 A)
&rst
ixpk= 893, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1319,
&end
#
# 86 THR MG2 85 ASN HN 5.50 (# 894:15 Unique 3.17, 4.78 A)
&rst
ixpk= 894, nxpk= 15, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 83 ASN HN 86 THR HN 4.50 (# 895:15 Unique 3.64, 4.28 A)
&rst
ixpk= 895, nxpk= 15, iat=1300,1340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ASN HN 86 THR HN 2.80 (# 896:15 Unique 2.25, 2.62 A)
&rst
ixpk= 896, nxpk= 15, iat=1326,1340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 ASP HN 86 THR HN 5.50 (# 897:15 Unique 3.72, 4.39 A)
&rst
ixpk= 897, nxpk= 15, iat=1314,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HN 86 THR HN 5.50 (# 898:15 Unique 2.55, 2.99 A)
&rst
ixpk= 898, nxpk= 15, iat=1354,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ASN HA 86 THR HN 5.50 (# 900:15 Unique 3.54, 4.45 A)
&rst
ixpk= 900, nxpk= 15, iat=1302,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:901 86 THR HN 3.50 (# 901:15 Single Ambig)
&rst
ixpk= 901, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1328,1613,
&end
#
# 0 AMB 15-2:902 86 THR HN 4.50 (# 902:15 Single Ambig)
&rst
ixpk= 902, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1316,1281,1356,
&end
#
# 86 THR HA 86 THR HN 3.50 (# 903:15 Unique 2.54, 2.82 A)
&rst
ixpk= 903, nxpk= 15, iat=1342,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 THR HB 86 THR HN 4.50 (# 904:15 Unique 2.18, 2.59 A)
&rst
ixpk= 904, nxpk= 15, iat=1344,1340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 TYR HB+ 86 THR HN 5.50 (# 905:15 Unique 3.64, 5.20 A)
&rst
ixpk= 905, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 636, 637,
&end
#
# 85 ASN HB+ 86 THR HN 4.50 (# 906:15 Unique 4.09, 4.43 A)
&rst
ixpk= 906, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1330,1331,
&end
#
# 0 AMB 15-2:907 86 THR HN 4.50 (# 907:15 Single Ambig)
&rst
ixpk= 907, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1330,1331,1318,1319,
&end
#
# 0 AMB 15-2:908 86 THR HN 5.50 (# 908:15 Single Ambig)
&rst
ixpk= 908, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1271,1272,1271,1272, 636, 637,
&end
#
# 86 THR MG2 86 THR HN 3.50 (# 909:15 Unique 1.78, 2.81 A)
&rst
ixpk= 909, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1346,1347,1348,
&end
#
# 0 AMB 15-2:910 86 THR HN 5.50 (# 910:15 Single Ambig)
&rst
ixpk= 910, nxpk= 15, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1360,1361,1362,1364,1365,1366,1585,1586,1587,1589,
1590,1591,1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 15-2:913 87 VAL HN 5.50 (# 913:15 Single Ambig)
&rst
ixpk= 913, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1328,1613,
&end
#
# 87 VAL HA 87 VAL HN 4.50 (# 914:15 Unique 2.19, 2.86 A)
&rst
ixpk= 914, nxpk= 15, iat=1356,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:915 87 VAL HN 3.50 (# 915:15 Single Ambig)
&rst
ixpk= 915, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1342, 634,
&end
#
# 86 THR HB 87 VAL HN 4.50 (# 916:15 Unique 3.46, 4.29 A)
&rst
ixpk= 916, nxpk= 15, iat=1344,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 VAL HB 87 VAL HN 4.50 (# 917:15 Unique 2.47, 3.03 A)
&rst
ixpk= 917, nxpk= 15, iat=1358,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR MG2 87 VAL HN 4.50 (# 918:15 Unique 1.97, 3.79 A)
&rst
ixpk= 918, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1346,1347,1348,
&end
#
# 87 VAL MGY 87 VAL HN 4.50 (# 919:15 Unique 1.94, 4.09 A)
&rst
ixpk= 919, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 87 VAL MGX 87 VAL HN 3.50 (# 920:15 Unique 1.94, 4.09 A)
&rst
ixpk= 920, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 102 VAL MGX 87 VAL HN 5.50 (# 921:15 Unique 3.71, 6.16 A)
&rst
ixpk= 921, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 40 ARG HN 88 VAL HN 5.50 (# 922:15 Unique 2.32, 2.87 A)
&rst
ixpk= 922, nxpk= 15, iat= 601,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HN 88 VAL HN 5.50 (# 923:15 Unique 3.63, 4.35 A)
&rst
ixpk= 923, nxpk= 15, iat=1354,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 VAL HA 88 VAL HN 3.50 (# 924:15 Unique 2.86, 2.95 A)
&rst
ixpk= 924, nxpk= 15, iat=1372,1370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLY HA+ 88 VAL HN 3.50 (# 925:15 Unique 2.27, 4.42 A)
&rst
ixpk= 925, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 627, 628,
&end
#
# 87 VAL HA 88 VAL HN 3.50 (# 927:15 Unique 2.09, 2.27 A)
&rst
ixpk= 927, nxpk= 15, iat=1356,1370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:928 88 VAL HN 5.50 (# 928:15 Single Ambig)
&rst
ixpk= 928, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 634,1342,
&end
#
# 41 GLY HA- 88 VAL HN 5.50 (# 929:15 Unique 2.27, 4.42 A)
&rst
ixpk= 929, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 627, 628,
&end
#
# 87 VAL HB 88 VAL HN 4.50 (# 930:15 Unique 2.69, 3.68 A)
&rst
ixpk= 930, nxpk= 15, iat=1358,1370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 VAL HB 88 VAL HN 3.50 (# 931:15 Unique 2.39, 2.66 A)
&rst
ixpk= 931, nxpk= 15, iat=1374,1370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ILE HG1- 88 VAL HN 5.50 (# 932:15 Unique 4.62, 5.39 A)
&rst
ixpk= 932, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1396,1397,
&end
#
# 87 VAL MGX 88 VAL HN 4.50 (# 933:15 Unique 2.04, 4.08 A)
&rst
ixpk= 933, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 0 AMB 15-2:934 88 VAL HN 2.80 (# 934:15 Single Ambig)
&rst
ixpk= 934, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1360,1361,1362,1364,1365,1366,1376,1377,1378,1380,
1381,1382,
&end
#
# 0 AMB 15-2:935 88 VAL HN 5.50 (# 935:15 Single Ambig)
&rst
ixpk= 935, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1601,1602,1603,1605,1606,1607,1411,1412,1413,1415,
1416,1417,1411,1412,1413,1415,1416,1417,
&end
#
# 88 VAL MGX 88 VAL HN 4.50 (# 936:15 Unique 2.09, 4.04 A)
&rst
ixpk= 936, nxpk= 15, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 100 ILE HA 89 ILE HN 5.50 (# 937:15 Unique 4.74, 4.88 A)
&rst
ixpk= 937, nxpk= 15, iat=1562,1386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 VAL HA 89 ILE HN 3.50 (# 940:15 Unique 2.16, 2.24 A)
&rst
ixpk= 940, nxpk= 15, iat=1372,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ILE HA 89 ILE HN 4.50 (# 941:15 Unique 2.95, 2.98 A)
&rst
ixpk= 941, nxpk= 15, iat=1388,1386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:942 89 ILE HN 3.50 (# 942:15 Single Ambig)
&rst
ixpk= 942, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1374,1570,1571,
&end
#
# 89 ILE HB 89 ILE HN 3.50 (# 943:15 Unique 2.48, 2.61 A)
&rst
ixpk= 943, nxpk= 15, iat=1390,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:944 89 ILE HN 4.50 (# 944:15 Single Ambig)
&rst
ixpk= 944, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 592, 593, 592, 593,1564,
&end
#
# 100 ILE HG1+ 89 ILE HN 5.50 (# 945:15 Unique 2.79, 3.60 A)
&rst
ixpk= 945, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1570,1571,
&end
#
# 88 VAL MGY 89 ILE HN 4.50 (# 947:15 Unique 2.54, 4.28 A)
&rst
ixpk= 947, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 15-2:948 89 ILE HN 4.50 (# 948:15 Single Ambig)
&rst
ixpk= 948, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1392,1393,1394,1430,1431,1432,1434,1435,1436,1430,
1431,1432,1434,1435,1436,1566,1567,1568, 540, 541,
542, 544, 545, 546,
&end
#
# 0 AMB 15-2:949 89 ILE HN 4.50 (# 949:15 Single Ambig)
&rst
ixpk= 949, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1601,1602,1603,1605,1606,1607,1411,1412,1413,1415,
1416,1417,1411,1412,1413,1415,1416,1417,
&end
#
# 88 VAL MGX 89 ILE HN 3.50 (# 950:15 Unique 2.54, 4.28 A)
&rst
ixpk= 950, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 100 ILE QD1 89 ILE HN 5.50 (# 951:15 Unique 4.81, 5.62 A)
&rst
ixpk= 951, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1573,1574,1575,
&end
#
# 0 AMB 15-2:952 90 VAL HN 4.50 (# 952:15 Single Ambig)
&rst
ixpk= 952, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 550, 601,1421,
&end
#
# 0 AMB 15-2:953 90 VAL HN 4.50 (# 953:15 Single Ambig)
&rst
ixpk= 953, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1386,1560,
&end
#
# 38 GLU HN 90 VAL HN 4.50 (# 954:15 Unique 3.00, 3.13 A)
&rst
ixpk= 954, nxpk= 15, iat= 567,1405, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HA 90 VAL HN 4.50 (# 955:15 Unique 2.62, 2.93 A)
&rst
ixpk= 955, nxpk= 15, iat= 584,1405, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:956 90 VAL HN 5.50 (# 956:15 Single Ambig)
&rst
ixpk= 956, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 569, 931,
&end
#
# 89 ILE HA 90 VAL HN 2.80 (# 958:15 Unique 2.12, 2.20 A)
&rst
ixpk= 958, nxpk= 15, iat=1388,1405, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 VAL HA 90 VAL HN 3.50 (# 959:15 Unique 2.94, 2.96 A)
&rst
ixpk= 959, nxpk= 15, iat=1407,1405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:960 90 VAL HN 4.50 (# 960:15 Single Ambig)
&rst
ixpk= 960, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 574, 575, 574, 575,
&end
#
# 90 VAL HB 90 VAL HN 3.50 (# 961:15 Unique 2.47, 2.61 A)
&rst
ixpk= 961, nxpk= 15, iat=1409,1405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:962 90 VAL HN 4.50 (# 962:15 Single Ambig)
&rst
ixpk= 962, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1428, 554, 555, 586,1374,
&end
#
# 0 AMB 15-2:963 90 VAL HN 5.50 (# 963:15 Single Ambig)
&rst
ixpk= 963, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 592, 593, 592, 593,
&end
#
# 0 AMB 15-2:964 90 VAL HN 5.50 (# 964:15 Single Ambig)
&rst
ixpk= 964, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 287, 288, 289, 291, 292, 293, 287, 288, 289, 291,
292, 293,1636,1637,1638,1640,1641,1642, 907, 908,
909,
&end
#
# 0 AMB 15-2:965 90 VAL HN 4.50 (# 965:15 Single Ambig)
&rst
ixpk= 965, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 540, 541, 542, 544, 545, 546,1376,1377,1378,1380,
1381,1382, 595, 596, 597, 588, 589, 590,
&end
#
# 0 AMB 15-2:966 90 VAL HN 3.50 (# 966:15 Single Ambig)
&rst
ixpk= 966, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1392,1393,1394, 540, 541, 542, 544, 545, 546,1430,
1431,1432,1434,1435,1436,
&end
#
# 0 AMB 15-2:967 90 VAL HN 2.80 (# 967:15 Single Ambig)
&rst
ixpk= 967, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 88 VAL MGX 90 VAL HN 4.50 (# 968:15 Unique 3.60, 6.34 A)
&rst
ixpk= 968, nxpk= 15, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 99 GLY HN 91 LEU HN 5.50 (# 969:15 Unique 4.56, 4.80 A)
&rst
ixpk= 969, nxpk= 15, iat=1553,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:970 91 LEU HN 5.50 (# 970:15 Single Ambig)
&rst
ixpk= 970, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1560,1386,
&end
#
# 98 VAL HN 91 LEU HN 4.50 (# 971:15 Unique 2.75, 2.89 A)
&rst
ixpk= 971, nxpk= 15, iat=1537,1421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLY HA+ 91 LEU HN 4.50 (# 972:15 Unique 2.61, 3.56 A)
&rst
ixpk= 972, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1555,1556,
&end
#
# 91 LEU HA 91 LEU HN 4.50 (# 973:15 Unique 2.96, 2.98 A)
&rst
ixpk= 973, nxpk= 15, iat=1423,1421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HA 91 LEU HN 5.50 (# 974:15 Unique 4.45, 4.54 A)
&rst
ixpk= 974, nxpk= 15, iat=1523,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL HA 91 LEU HN 2.80 (# 975:15 Unique 2.22, 2.26 A)
&rst
ixpk= 975, nxpk= 15, iat=1407,1421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 VAL HA 91 LEU HN 5.50 (# 976:15 Unique 4.98, 5.19 A)
&rst
ixpk= 976, nxpk= 15, iat= 536,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLY HA- 91 LEU HN 5.50 (# 977:15 Unique 2.61, 3.56 A)
&rst
ixpk= 977, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1555,1556,
&end
#
# 91 LEU HB+ 91 LEU HN 3.50 (# 978:15 Unique 2.49, 3.09 A)
&rst
ixpk= 978, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1425,1426,
&end
#
# 0 AMB 15-2:979 91 LEU HN 3.50 (# 979:15 Single Ambig)
&rst
ixpk= 979, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1428, 554, 555,
&end
#
# 91 LEU HB- 91 LEU HN 4.50 (# 980:15 Unique 2.49, 3.09 A)
&rst
ixpk= 980, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1425,1426,
&end
#
# 0 AMB 15-2:981 91 LEU HN 3.50 (# 981:15 Single Ambig)
&rst
ixpk= 981, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1527,1528,1529,1531,1532,1533,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,1463,1464,
1465,1467,1468,1469,1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 15-2:982 91 LEU HN 2.80 (# 982:15 Single Ambig)
&rst
ixpk= 982, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1527,1528,1529,1531,1532,1533,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,1430,1431,
1432,1434,1435,1436,1430,1431,1432,1434,1435,1436,
1392,1393,1394,
&end
#
# 0 AMB 15-2:983 91 LEU HN 3.50 (# 983:15 Single Ambig)
&rst
ixpk= 983, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 0 AMB 15-2:984 91 LEU HN 5.50 (# 984:15 Single Ambig)
&rst
ixpk= 984, nxpk= 15, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1376,1377,1378,1380,1381,1382,1057,1058,1059,2333,
2334,2335,2337,2338,2339,
&end
#
# 0 AMB 15-2:985 92 ASN HN 4.50 (# 985:15 Single Ambig)
&rst
ixpk= 985, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 550,1421,
&end
#
# 0 AMB 15-2:986 92 ASN HN 5.50 (# 986:15 Single Ambig)
&rst
ixpk= 986, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1454,2287,
&end
#
# 91 LEU HA 92 ASN HN 2.80 (# 987:15 Unique 2.15, 2.29 A)
&rst
ixpk= 987, nxpk= 15, iat=1423,1440, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ASN HA 92 ASN HN 3.50 (# 988:15 Unique 2.95, 2.97 A)
&rst
ixpk= 988, nxpk= 15, iat=1442,1440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 LYS HA 92 ASN HN 4.50 (# 989:15 Unique 3.26, 3.63 A)
&rst
ixpk= 989, nxpk= 15, iat= 514,1440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL HA 92 ASN HN 5.50 (# 990:15 Unique 3.54, 3.98 A)
&rst
ixpk= 990, nxpk= 15, iat= 536,1440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HB+ 92 ASN HN 3.50 (# 991:15 Unique 2.39, 3.26 A)
&rst
ixpk= 991, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1444,1445,
&end
#
# 92 ASN HB- 92 ASN HN 3.50 (# 992:15 Unique 2.39, 3.26 A)
&rst
ixpk= 992, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1444,1445,
&end
#
# 35 LYS HB+ 92 ASN HN 5.50 (# 993:15 Unique 2.28, 3.66 A)
&rst
ixpk= 993, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 516, 517,
&end
#
# 0 AMB 15-2:994 92 ASN HN 3.50 (# 994:15 Single Ambig)
&rst
ixpk= 994, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 516, 517,1425,1426,
&end
#
# 0 AMB 15-2:995 92 ASN HN 4.50 (# 995:15 Single Ambig)
&rst
ixpk= 995, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1428, 554, 555,
&end
#
# 91 LEU HB- 92 ASN HN 3.50 (# 996:15 Unique 2.44, 3.44 A)
&rst
ixpk= 996, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1425,1426,
&end
#
# 0 AMB 15-2:997 92 ASN HN 3.50 (# 997:15 Single Ambig)
&rst
ixpk= 997, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 15-2:998 92 ASN HN 3.50 (# 998:15 Single Ambig)
&rst
ixpk= 998, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,
&end
#
# 92 ASN HD2+ 92 ASN HN 5.50 (# 999:15 Unique 2.47, 3.65 A)
&rst
ixpk= 999, nxpk= 15, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1449,1450,
&end
#
# 96 ARG HN 93 LEU HN 5.50 (# 1001:15 Unique 2.68, 2.88 A)
&rst
ixpk= 1001, nxpk= 15, iat=1497,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HA 93 LEU HN 2.80 (# 1002:15 Unique 2.15, 2.23 A)
&rst
ixpk= 1002, nxpk= 15, iat=1442,1454, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 LEU HA 93 LEU HN 3.50 (# 1004:15 Unique 2.92, 2.96 A)
&rst
ixpk= 1004, nxpk= 15, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ASN HB+ 93 LEU HN 5.50 (# 1005:15 Unique 2.75, 3.83 A)
&rst
ixpk= 1005, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 92 ASN HB- 93 LEU HN 5.50 (# 1006:15 Unique 2.75, 3.83 A)
&rst
ixpk= 1006, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 93 LEU HB- 93 LEU HN 3.50 (# 1007:15 Unique 2.37, 3.38 A)
&rst
ixpk= 1007, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1458,1459,
&end
#
# 0 AMB 15-2:1008 93 LEU HN 2.80 (# 1008:15 Single Ambig)
&rst
ixpk= 1008, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1504,1505,1504,1505,
&end
#
# 0 AMB 15-2:1009 93 LEU HN 3.50 (# 1009:15 Single Ambig)
&rst
ixpk= 1009, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
&end
#
# 95 GLN HN 96 ARG HN 4.50 (# 1010:15 Unique 2.02, 2.35 A)
&rst
ixpk= 1010, nxpk= 15, iat=1480,1497, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 LEU HN 96 ARG HN 4.50 (# 1011:15 Unique 2.68, 2.88 A)
&rst
ixpk= 1011, nxpk= 15, iat=1454,1497, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HN 96 ARG HN 5.50 (# 1012:15 Unique 4.33, 4.38 A)
&rst
ixpk= 1012, nxpk= 15, iat=1521,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1013 96 ARG HN 5.50 (# 1013:15 Single Ambig)
&rst
ixpk= 1013, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1442,1523,
&end
#
# 96 ARG HA 96 ARG HN 3.50 (# 1015:15 Unique 2.87, 2.91 A)
&rst
ixpk= 1015, nxpk= 15, iat=1499,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 GLN HA 96 ARG HN 3.50 (# 1016:15 Unique 2.69, 2.95 A)
&rst
ixpk= 1016, nxpk= 15, iat=1482,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1017 96 ARG HN 5.50 (# 1017:15 Single Ambig)
&rst
ixpk= 1017, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1507,1508,1507,1508,
&end
#
# 95 GLN HB+ 96 ARG HN 5.50 (# 1018:15 Unique 3.85, 4.42 A)
&rst
ixpk= 1018, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1485,
&end
#
# 95 GLN HB- 96 ARG HN 5.50 (# 1019:15 Unique 3.85, 4.42 A)
&rst
ixpk= 1019, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1485,
&end
#
# 0 AMB 15-2:1020 96 ARG HN 5.50 (# 1020:15 Single Ambig)
&rst
ixpk= 1020, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2347,2348,2347,2348, 522, 523,
&end
#
# 0 AMB 15-2:1021 96 ARG HN 2.80 (# 1021:15 Single Ambig)
&rst
ixpk= 1021, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1501,1502,1501,1502,
&end
#
# 0 AMB 15-2:1022 96 ARG HN 3.50 (# 1022:15 Single Ambig)
&rst
ixpk= 1022, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1504,1505,1504,1505,
&end
#
# 0 AMB 15-2:1023 96 ARG HN 4.50 (# 1023:15 Single Ambig)
&rst
ixpk= 1023, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,2352,2353,2354,2356,2357,2358,1527,1528,
1529,1531,1532,1533,
&end
#
# 98 VAL HN 97 VAL HN 5.50 (# 1024:15 Unique 4.32, 4.42 A)
&rst
ixpk= 1024, nxpk= 15, iat=1537,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ARG HN 97 VAL HN 5.50 (# 1025:15 Unique 4.33, 4.38 A)
&rst
ixpk= 1025, nxpk= 15, iat=1497,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL HA 97 VAL HN 3.50 (# 1026:15 Unique 2.93, 2.96 A)
&rst
ixpk= 1026, nxpk= 15, iat=1523,1521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 ARG HA 97 VAL HN 2.80 (# 1027:15 Unique 2.48, 2.59 A)
&rst
ixpk= 1027, nxpk= 15, iat=1499,1521, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1028 97 VAL HN 5.50 (# 1028:15 Single Ambig)
&rst
ixpk= 1028, nxpk= 15, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1507,1508,1507,1508,
&end
#
# 0 AMB 15-2:1029 97 VAL HN 3.50 (# 1029:15 Single Ambig)
&rst
ixpk= 1029, nxpk= 15, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1501,1502,1501,1502,1525,
&end
#
# 0 AMB 15-2:1030 97 VAL HN 4.50 (# 1030:15 Single Ambig)
&rst
ixpk= 1030, nxpk= 15, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1504,1505,1504,1505,
&end
#
# 97 VAL MGX 97 VAL HN 2.80 (# 1031:15 Unique 2.30, 3.65 A)
&rst
ixpk= 1031, nxpk= 15, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 15-2:1032 97 VAL HN 3.50 (# 1032:15 Single Ambig)
&rst
ixpk= 1032, nxpk= 15, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1527,1528,1529,1531,1532,1533,2352,2353,2354,2356,
2357,2358,
&end
#
# 67 PRO HD- 97 VAL HN 4.50 (# 1033:15 Unique 4.51, 5.10 A)
&rst
ixpk= 1033, nxpk= 15, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1031,1032,
&end
#
# 91 LEU HN 98 VAL HN 4.50 (# 1034:15 Unique 2.75, 2.89 A)
&rst
ixpk= 1034, nxpk= 15, iat=1421,1537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLY HN 98 VAL HN 5.50 (# 1035:15 Unique 4.27, 4.30 A)
&rst
ixpk= 1035, nxpk= 15, iat=1553,1537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LEU HA 98 VAL HN 5.50 (# 1036:15 Unique 4.77, 4.91 A)
&rst
ixpk= 1036, nxpk= 15, iat=1423,1537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL HA 98 VAL HN 2.80 (# 1037:15 Unique 2.16, 2.29 A)
&rst
ixpk= 1037, nxpk= 15, iat=1523,1537, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 VAL HA 98 VAL HN 3.50 (# 1038:15 Unique 2.84, 2.87 A)
&rst
ixpk= 1038, nxpk= 15, iat=1539,1537, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 VAL HA 98 VAL HN 5.50 (# 1039:15 Unique 4.42, 4.62 A)
&rst
ixpk= 1039, nxpk= 15, iat=1407,1537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1040 98 VAL HN 2.80 (# 1040:15 Single Ambig)
&rst
ixpk= 1040, nxpk= 15, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1525,1425,1426,1541,
&end
#
# 0 AMB 15-2:1041 98 VAL HN 2.80 (# 1041:15 Single Ambig)
&rst
ixpk= 1041, nxpk= 15, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1527,1528,1529,1531,1532,1533,1463,1464,1465,1467,
1468,1469,1463,1464,1465,1467,1468,1469,1543,1544,
1545,1547,1548,1549,1543,1544,1545,1547,1548,1549,
&end
#
# 0 AMB 15-2:1042 98 VAL HN 2.80 (# 1042:15 Single Ambig)
&rst
ixpk= 1042, nxpk= 15, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1527,1528,1529,1531,1532,1533,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
&end
#
# 0 AMB 15-2:1043 98 VAL HN 4.50 (# 1043:15 Single Ambig)
&rst
ixpk= 1043, nxpk= 15, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 0 AMB 15-2:1044 99 GLY HN 4.50 (# 1044:15 Single Ambig)
&rst
ixpk= 1044, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1560,1386,
&end
#
# 99 GLY HA+ 99 GLY HN 3.50 (# 1045:15 Unique 2.57, 2.80 A)
&rst
ixpk= 1045, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1555,1556,
&end
#
# 68 ILE HA 99 GLY HN 4.50 (# 1046:15 Unique 2.33, 2.65 A)
&rst
ixpk= 1046, nxpk= 15, iat=1046,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HA 99 GLY HN 2.80 (# 1047:15 Unique 2.55, 2.64 A)
&rst
ixpk= 1047, nxpk= 15, iat=1539,1553, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 PRO HD+ 99 GLY HN 5.50 (# 1048:15 Unique 4.33, 5.35 A)
&rst
ixpk= 1048, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1031,1032,
&end
#
# 90 VAL HA 99 GLY HN 5.50 (# 1049:15 Unique 4.49, 4.77 A)
&rst
ixpk= 1049, nxpk= 15, iat=1407,1553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLY HA- 99 GLY HN 3.50 (# 1050:15 Unique 2.57, 2.80 A)
&rst
ixpk= 1050, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1555,1556,
&end
#
# 98 VAL HB 99 GLY HN 4.50 (# 1051:15 Unique 2.32, 3.73 A)
&rst
ixpk= 1051, nxpk= 15, iat=1541,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1052 99 GLY HN 3.50 (# 1052:15 Single Ambig)
&rst
ixpk= 1052, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,
&end
#
# 0 AMB 15-2:1053 99 GLY HN 2.80 (# 1053:15 Single Ambig)
&rst
ixpk= 1053, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,1566,1567,1568,
&end
#
# 0 AMB 15-2:1054 99 GLY HN 4.50 (# 1054:15 Single Ambig)
&rst
ixpk= 1054, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,1050,1051,1052,2333,2334,2335,2337,2338,
2339,
&end
#
# 68 ILE QD1 99 GLY HN 4.50 (# 1055:15 Unique 2.37, 3.67 A)
&rst
ixpk= 1055, nxpk= 15, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1057,1058,1059,
&end
#
# 91 LEU HN 100 ILE HN 5.50 (# 1056:15 Unique 4.67, 5.14 A)
&rst
ixpk= 1056, nxpk= 15, iat=1421,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1057 100 ILE HN 5.50 (# 1057:15 Single Ambig)
&rst
ixpk= 1057, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1553,1405,
&end
#
# 100 ILE HA 100 ILE HN 5.50 (# 1058:15 Unique 2.93, 2.97 A)
&rst
ixpk= 1058, nxpk= 15, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLY HA+ 100 ILE HN 3.50 (# 1059:15 Unique 2.26, 2.57 A)
&rst
ixpk= 1059, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1555,1556,
&end
#
# 0 AMB 15-2:1060 100 ILE HN 5.50 (# 1060:15 Single Ambig)
&rst
ixpk= 1060, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1372,1046,
&end
#
# 90 VAL HA 100 ILE HN 5.50 (# 1061:15 Unique 3.64, 4.02 A)
&rst
ixpk= 1061, nxpk= 15, iat=1407,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLY HA- 100 ILE HN 4.50 (# 1062:15 Unique 2.26, 2.57 A)
&rst
ixpk= 1062, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1555,1556,
&end
#
# 100 ILE HG1- 100 ILE HN 4.50 (# 1063:15 Unique 2.33, 2.63 A)
&rst
ixpk= 1063, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1570,1571,
&end
#
# 89 ILE HB 100 ILE HN 5.50 (# 1064:15 Unique 3.03, 3.41 A)
&rst
ixpk= 1064, nxpk= 15, iat=1390,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ILE HG1+ 100 ILE HN 4.50 (# 1065:15 Unique 2.33, 2.63 A)
&rst
ixpk= 1065, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1570,1571,
&end
#
# 88 VAL MGY 100 ILE HN 5.50 (# 1066:15 Unique 2.52, 4.88 A)
&rst
ixpk= 1066, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 15-2:1067 100 ILE HN 4.50 (# 1067:15 Single Ambig)
&rst
ixpk= 1067, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1566,1567,1568,1430,1431,1432,1434,1435,1436,1430,
1431,1432,1434,1435,1436,1392,1393,1394,
&end
#
# 0 AMB 15-2:1068 100 ILE HN 4.50 (# 1068:15 Single Ambig)
&rst
ixpk= 1068, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1050,1051,1052,1411,1412,1413,1415,1416,1417,1411,
1412,1413,1415,1416,1417,1601,1602,1603,1605,1606,
1607,
&end
#
# 0 AMB 15-2:1069 100 ILE HN 3.50 (# 1069:15 Single Ambig)
&rst
ixpk= 1069, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1376,1377,1378,1380,1381,1382,1057,1058,1059,
&end
#
# 100 ILE QD1 100 ILE HN 5.50 (# 1070:15 Unique 4.55, 4.82 A)
&rst
ixpk= 1070, nxpk= 15, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1573,1574,1575,
&end
#
# 0 AMB 15-2:1071 101 VAL HN 4.50 (# 1071:15 Single Ambig)
&rst
ixpk= 1071, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1091,1595,
&end
#
# 100 ILE HA 101 VAL HN 2.80 (# 1072:15 Unique 2.04, 2.16 A)
&rst
ixpk= 1072, nxpk= 15, iat=1562,1579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1073 101 VAL HN 4.50 (# 1073:15 Single Ambig)
&rst
ixpk= 1073, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1081,1581,
&end
#
# 0 AMB 15-2:1074 101 VAL HN 4.50 (# 1074:15 Single Ambig)
&rst
ixpk= 1074, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1372,1046,
&end
#
# 101 VAL HB 101 VAL HN 4.50 (# 1075:15 Unique 2.17, 3.20 A)
&rst
ixpk= 1075, nxpk= 15, iat=1583,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 LEU HG 101 VAL HN 5.50 (# 1076:15 Unique 3.44, 4.61 A)
&rst
ixpk= 1076, nxpk= 15, iat=1098,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ILE HB 101 VAL HN 4.50 (# 1077:15 Unique 2.97, 3.18 A)
&rst
ixpk= 1077, nxpk= 15, iat=1564,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 VAL MGY 101 VAL HN 3.50 (# 1078:15 Unique 1.91, 3.37 A)
&rst
ixpk= 1078, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 15-2:1079 101 VAL HN 3.50 (# 1079:15 Single Ambig)
&rst
ixpk= 1079, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1585,1586,1587,1589,1590,1591,1585,1586,1587,1589,
1590,1591,
&end
#
# 100 ILE QG2 101 VAL HN 4.50 (# 1080:15 Unique 3.60, 4.63 A)
&rst
ixpk= 1080, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1566,1567,1568,
&end
#
# 68 ILE QG2 101 VAL HN 5.50 (# 1081:15 Unique 2.78, 3.91 A)
&rst
ixpk= 1081, nxpk= 15, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1050,1051,1052,
&end
#
# 0 AMB 15-2:1082 102 VAL HN 3.50 (# 1082:15 Single Ambig)
&rst
ixpk= 1082, nxpk= 15, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1328,1372,
&end
#
# 0 AMB 15-2:1083 0 AMB 15-1:1083 4.50 (# 1083:15 Double Ambig)
&rst
ixpk= 1083, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1597,1888,
igr2=1595,1916,
&end
#
# 124 VAL HA 124 VAL HN 4.50 (# 1084:15 Unique 2.85, 2.93 A)
&rst
ixpk= 1084, nxpk= 15, iat=1918,1916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 ALA HA 124 VAL HN 2.80 (# 1085:15 Unique 2.18, 2.57 A)
&rst
ixpk= 1085, nxpk= 15, iat=1908,1916, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 VAL HB 124 VAL HN 5.50 (# 1086:15 Unique 3.38, 3.76 A)
&rst
ixpk= 1086, nxpk= 15, iat=1920,1916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1087 124 VAL HN 4.50 (# 1087:15 Single Ambig)
&rst
ixpk= 1087, nxpk= 15, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1910,1911,1912,1950,1951,1950,1951,
&end
#
# 0 AMB 15-2:1088 0 AMB 15-1:1088 2.80 (# 1088:15 Double Ambig)
&rst
ixpk= 1088, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,1585,1586,1587,1589,1590,1591,1585,1586,
1587,1589,1590,1591,
igr2=1916,1595,
&end
#
# 0 AMB 15-2:1089 102 VAL HN 3.50 (# 1089:15 Single Ambig)
&rst
ixpk= 1089, nxpk= 15, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1601,1602,1603,1605,1606,1607,1257,1258,1259,1261,
1262,1263,
&end
#
# 102 VAL MGY 102 VAL HN 5.50 (# 1090:15 Unique 2.60, 3.92 A)
&rst
ixpk= 1090, nxpk= 15, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 104 GLY HN 103 ASP HN 3.50 (# 1091:15 Unique 2.40, 2.56 A)
&rst
ixpk= 1091, nxpk= 15, iat=1623,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1092 103 ASP HN 5.50 (# 1092:15 Single Ambig)
&rst
ixpk= 1092, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 329,1218,1219,
&end
#
# 0 AMB 15-2:1093 103 ASP HN 3.50 (# 1093:15 Single Ambig)
&rst
ixpk= 1093, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 349,1613,
&end
#
# 102 VAL HA 103 ASP HN 3.50 (# 1094:15 Unique 2.40, 2.55 A)
&rst
ixpk= 1094, nxpk= 15, iat=1597,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1095 103 ASP HN 2.80 (# 1095:15 Single Ambig)
&rst
ixpk= 1095, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1615,1616,1615,1616,
&end
#
# 102 VAL HB 103 ASP HN 4.50 (# 1096:15 Unique 2.22, 2.81 A)
&rst
ixpk= 1096, nxpk= 15, iat=1599,1611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1097 103 ASP HN 5.50 (# 1097:15 Single Ambig)
&rst
ixpk= 1097, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 354,
&end
#
# 24 LEU MDX 103 ASP HN 3.50 (# 1098:15 Unique 1.93, 4.99 A)
&rst
ixpk= 1098, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 102 VAL MGX 103 ASP HN 3.50 (# 1099:15 Unique 2.24, 4.36 A)
&rst
ixpk= 1099, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL MGY 103 ASP HN 4.50 (# 1100:15 Unique 2.24, 4.36 A)
&rst
ixpk= 1100, nxpk= 15, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 23 THR HN 104 GLY HN 3.50 (# 1101:15 Unique 2.99, 3.22 A)
&rst
ixpk= 1101, nxpk= 15, iat= 333,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 VAL HN 104 GLY HN 4.50 (# 1102:15 Unique 4.11, 4.23 A)
&rst
ixpk= 1102, nxpk= 15, iat=1630,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 ASP HN 104 GLY HN 3.50 (# 1103:15 Unique 2.40, 2.56 A)
&rst
ixpk= 1103, nxpk= 15, iat=1611,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 PHE HD 104 GLY HN 5.50 (# 1104:15 Unique 3.72, 5.54 A)
&rst
ixpk= 1104, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 321, 329,
&end
#
# 22 PHE HA 104 GLY HN 5.50 (# 1105:15 Unique 4.49, 4.71 A)
&rst
ixpk= 1105, nxpk= 15, iat= 315,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1106 104 GLY HN 3.50 (# 1106:15 Single Ambig)
&rst
ixpk= 1106, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1613, 349,1328,
&end
#
# 102 VAL HA 104 GLY HN 4.50 (# 1107:15 Unique 4.34, 4.55 A)
&rst
ixpk= 1107, nxpk= 15, iat=1597,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 GLY HA+ 104 GLY HN 3.50 (# 1108:15 Unique 2.72, 2.82 A)
&rst
ixpk= 1108, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1625,1626,
&end
#
# 104 GLY HA- 104 GLY HN 2.80 (# 1109:15 Unique 2.72, 2.82 A)
&rst
ixpk= 1109, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1625,1626,
&end
#
# 22 PHE HB+ 104 GLY HN 5.50 (# 1110:15 Unique 3.30, 4.30 A)
&rst
ixpk= 1110, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 317, 318,
&end
#
# 0 AMB 15-2:1111 104 GLY HN 3.50 (# 1111:15 Single Ambig)
&rst
ixpk= 1111, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1615,1616,1615,1616,
&end
#
# 102 VAL HB 104 GLY HN 4.50 (# 1112:15 Unique 2.65, 3.37 A)
&rst
ixpk= 1112, nxpk= 15, iat=1599,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1113 104 GLY HN 5.50 (# 1113:15 Single Ambig)
&rst
ixpk= 1113, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 339, 340, 341,1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 15-2:1114 104 GLY HN 4.50 (# 1114:15 Single Ambig)
&rst
ixpk= 1114, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 356, 357, 358, 360, 361, 362,1360,1361,1362,1364,
1365,1366,
&end
#
# 102 VAL MGX 104 GLY HN 2.80 (# 1115:15 Unique 2.35, 4.56 A)
&rst
ixpk= 1115, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL MGY 104 GLY HN 5.50 (# 1116:15 Unique 2.35, 4.56 A)
&rst
ixpk= 1116, nxpk= 15, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 106 SER HN 105 VAL HN 5.50 (# 1117:15 Unique 4.46, 4.52 A)
&rst
ixpk= 1117, nxpk= 15, iat=1646,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLY HN 105 VAL HN 5.50 (# 1118:15 Unique 4.11, 4.23 A)
&rst
ixpk= 1118, nxpk= 15, iat=1623,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HA 105 VAL HN 5.50 (# 1119:15 Unique 4.65, 4.75 A)
&rst
ixpk= 1119, nxpk= 15, iat= 315,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HA 105 VAL HN 3.50 (# 1120:15 Unique 2.88, 2.90 A)
&rst
ixpk= 1120, nxpk= 15, iat=1632,1630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1122 105 VAL HN 5.50 (# 1122:15 Single Ambig)
&rst
ixpk= 1122, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1648,1659,1597,
&end
#
# 104 GLY HA+ 105 VAL HN 2.80 (# 1124:15 Unique 2.27, 2.65 A)
&rst
ixpk= 1124, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1625,1626,
&end
#
# 105 VAL HB 105 VAL HN 3.50 (# 1126:15 Unique 3.52, 3.54 A)
&rst
ixpk= 1126, nxpk= 15, iat=1634,1630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1127 105 VAL HN 2.80 (# 1127:15 Single Ambig)
&rst
ixpk= 1127, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1636,1637,1638,1640,1641,1642,1636,1637,1638,1640,
1641,1642,
&end
#
# 87 VAL MGX 105 VAL HN 4.50 (# 1128:15 Unique 2.44, 4.41 A)
&rst
ixpk= 1128, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 87 VAL MGY 105 VAL HN 4.50 (# 1129:15 Unique 2.44, 4.41 A)
&rst
ixpk= 1129, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 102 VAL MGX 105 VAL HN 5.50 (# 1130:15 Unique 3.62, 5.87 A)
&rst
ixpk= 1130, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 104 GLY HA- 105 VAL HN 2.80 (# 1131:15 Unique 2.27, 2.65 A)
&rst
ixpk= 1131, nxpk= 15, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1625,1626,
&end
#
# 23 THR HN 106 SER HN 4.50 (# 1132:15 Unique 3.51, 3.53 A)
&rst
ixpk= 1132, nxpk= 15, iat= 333,1646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HN 106 SER HN 5.50 (# 1133:15 Unique 4.46, 4.52 A)
&rst
ixpk= 1133, nxpk= 15, iat=1630,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ASP HN 106 SER HN 3.50 (# 1134:15 Unique 2.55, 2.64 A)
&rst
ixpk= 1134, nxpk= 15, iat=1657,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 PHE HA 106 SER HN 3.50 (# 1135:15 Unique 1.79, 1.90 A)
&rst
ixpk= 1135, nxpk= 15, iat= 315,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 VAL HA 106 SER HN 2.80 (# 1136:15 Unique 2.13, 2.15 A)
&rst
ixpk= 1136, nxpk= 15, iat=1632,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 106 SER HA 106 SER HN 3.50 (# 1137:15 Unique 2.83, 2.86 A)
&rst
ixpk= 1137, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1138 106 SER HN 2.80 (# 1138:15 Single Ambig)
&rst
ixpk= 1138, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1650,1651,1650,1651,
&end
#
# 22 PHE HB- 106 SER HN 5.50 (# 1139:15 Unique 3.51, 3.82 A)
&rst
ixpk= 1139, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 317, 318,
&end
#
# 0 AMB 15-2:1140 106 SER HN 4.50 (# 1140:15 Single Ambig)
&rst
ixpk= 1140, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1634, 301,
&end
#
# 0 AMB 15-2:1141 106 SER HN 3.50 (# 1141:15 Single Ambig)
&rst
ixpk= 1141, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1636,1637,1638,1640,1641,1642,1636,1637,1638,1640,
1641,1642,
&end
#
# 0 AMB 15-2:1142 106 SER HN 3.50 (# 1142:15 Single Ambig)
&rst
ixpk= 1142, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
&end
#
# 83 ASN HN 82 TYR HN 5.50 (# 1143:15 Unique 2.65, 3.09 A)
&rst
ixpk= 1143, nxpk= 15, iat=1300,1279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1144 82 TYR HN 5.50 (# 1144:15 Single Ambig)
&rst
ixpk= 1144, nxpk= 15, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1309,1310, 640, 649,
&end
#
# 82 TYR HE 82 TYR HN 4.50 (# 1145:15 Unique 4.03, 5.11 A)
&rst
ixpk= 1145, nxpk= 15, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1289,1294,
&end
#
# 81 ASP HA 82 TYR HN 2.80 (# 1147:15 Unique 2.12, 2.40 A)
&rst
ixpk= 1147, nxpk= 15, iat=1269,1279, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 TYR HA 82 TYR HN 2.80 (# 1148:15 Unique 2.25, 2.83 A)
&rst
ixpk= 1148, nxpk= 15, iat=1281,1279, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 TYR HB- 82 TYR HN 3.50 (# 1150:15 Unique 2.30, 3.09 A)
&rst
ixpk= 1150, nxpk= 15, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1283,1284,
&end
#
# 0 AMB 15-2:1151 82 TYR HN 3.50 (# 1151:15 Single Ambig)
&rst
ixpk= 1151, nxpk= 15, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1271,1272,1271,1272, 657, 658,
&end
#
# 109 LEU HN 108 VAL HN 5.50 (# 1152:15 Unique 4.29, 4.35 A)
&rst
ixpk= 1152, nxpk= 15, iat=1685,1669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 VAL HA 108 VAL HN 3.50 (# 1153:15 Unique 2.96, 2.97 A)
&rst
ixpk= 1153, nxpk= 15, iat=1671,1669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ASP HA 108 VAL HN 2.80 (# 1154:15 Unique 2.63, 2.70 A)
&rst
ixpk= 1154, nxpk= 15, iat=1659,1669, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 ASP HB+ 108 VAL HN 3.50 (# 1155:15 Unique 2.89, 3.34 A)
&rst
ixpk= 1155, nxpk= 15, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1661,1662,
&end
#
# 107 ASP HB- 108 VAL HN 3.50 (# 1156:15 Unique 2.89, 3.34 A)
&rst
ixpk= 1156, nxpk= 15, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1661,1662,
&end
#
# 108 VAL HB 108 VAL HN 2.80 (# 1157:15 Unique 2.63, 2.74 A)
&rst
ixpk= 1157, nxpk= 15, iat=1673,1669, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 LEU HG 108 VAL HN 5.50 (# 1158:15 Unique 3.52, 3.82 A)
&rst
ixpk= 1158, nxpk= 15, iat=1692,1669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 VAL MGY 108 VAL HN 3.50 (# 1159:15 Unique 2.21, 4.22 A)
&rst
ixpk= 1159, nxpk= 15, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 108 VAL MGX 108 VAL HN 3.50 (# 1160:15 Unique 2.21, 4.22 A)
&rst
ixpk= 1160, nxpk= 15, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 19 PHE HN 109 LEU HN 3.50 (# 1161:15 Unique 2.82, 2.87 A)
&rst
ixpk= 1161, nxpk= 15, iat= 258,1685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL HN 109 LEU HN 5.50 (# 1162:15 Unique 4.01, 4.44 A)
&rst
ixpk= 1162, nxpk= 15, iat= 297,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HN 109 LEU HN 4.50 (# 1163:15 Unique 4.35, 4.40 A)
&rst
ixpk= 1163, nxpk= 15, iat=1704,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 VAL HN 109 LEU HN 5.50 (# 1164:15 Unique 4.29, 4.35 A)
&rst
ixpk= 1164, nxpk= 15, iat=1669,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1165 109 LEU HN 5.50 (# 1165:15 Single Ambig)
&rst
ixpk= 1165, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1706, 299,
&end
#
# 0 AMB 15-2:1166 109 LEU HN 4.50 (# 1166:15 Single Ambig)
&rst
ixpk= 1166, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245, 260,
&end
#
# 108 VAL HA 109 LEU HN 2.80 (# 1167:15 Unique 2.21, 2.24 A)
&rst
ixpk= 1167, nxpk= 15, iat=1671,1685, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 LEU HA 109 LEU HN 3.50 (# 1168:15 Unique 2.90, 2.96 A)
&rst
ixpk= 1168, nxpk= 15, iat=1687,1685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LEU HA 109 LEU HN 4.50 (# 1169:15 Unique 3.75, 3.84 A)
&rst
ixpk= 1169, nxpk= 15, iat= 280,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1170 109 LEU HN 5.50 (# 1170:15 Single Ambig)
&rst
ixpk= 1170, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 262, 263,1661,1662,
&end
#
# 0 AMB 15-2:1171 109 LEU HN 5.50 (# 1171:15 Single Ambig)
&rst
ixpk= 1171, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 250, 251, 301,
&end
#
# 0 AMB 15-2:1172 109 LEU HN 4.50 (# 1172:15 Single Ambig)
&rst
ixpk= 1172, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 250, 251,1673,
&end
#
# 0 AMB 15-2:1173 109 LEU HN 2.80 (# 1173:15 Single Ambig)
&rst
ixpk= 1173, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1689,1690,1692,
&end
#
# 108 VAL MGY 109 LEU HN 4.50 (# 1174:15 Unique 2.59, 4.20 A)
&rst
ixpk= 1174, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 0 AMB 15-2:1175 109 LEU HN 2.80 (# 1175:15 Single Ambig)
&rst
ixpk= 1175, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,1675,1676,1677,1679,1680,1681, 303, 304,
305, 307, 308, 309,
&end
#
# 0 AMB 15-2:1176 109 LEU HN 5.50 (# 1176:15 Single Ambig)
&rst
ixpk= 1176, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,2190,2191,2192,2194,2195,2196,
&end
#
# 19 PHE HN 110 SER HN 5.50 (# 1177:15 Unique 4.62, 4.78 A)
&rst
ixpk= 1177, nxpk= 15, iat= 258,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 LEU HN 110 SER HN 4.50 (# 1178:15 Unique 4.35, 4.40 A)
&rst
ixpk= 1178, nxpk= 15, iat=1685,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LEU HN 110 SER HN 5.50 (# 1179:15 Unique 4.36, 4.44 A)
&rst
ixpk= 1179, nxpk= 15, iat=1715,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HA 110 SER HN 3.50 (# 1180:15 Unique 2.92, 2.98 A)
&rst
ixpk= 1180, nxpk= 15, iat=1706,1704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1181 110 SER HN 4.50 (# 1181:15 Single Ambig)
&rst
ixpk= 1181, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245,1717,
&end
#
# 109 LEU HA 110 SER HN 2.80 (# 1182:15 Unique 2.35, 2.60 A)
&rst
ixpk= 1182, nxpk= 15, iat=1687,1704, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 SER HB+ 110 SER HN 2.80 (# 1183:15 Unique 2.56, 3.29 A)
&rst
ixpk= 1183, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1708,1709,
&end
#
# 18 GLU HG- 110 SER HN 5.50 (# 1184:15 Unique 3.99, 5.47 A)
&rst
ixpk= 1184, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,
&end
#
# 109 LEU HB- 110 SER HN 2.80 (# 1185:15 Unique 2.12, 2.91 A)
&rst
ixpk= 1185, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1689,1690,
&end
#
# 0 AMB 15-2:1187 110 SER HN 3.50 (# 1187:15 Single Ambig)
&rst
ixpk= 1187, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,1675,1676,1677,1679,1680,1681,
&end
#
# 19 PHE HN 111 LEU HN 5.50 (# 1188:15 Unique 4.55, 4.59 A)
&rst
ixpk= 1188, nxpk= 15, iat= 258,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1189 111 LEU HN 3.50 (# 1189:15 Single Ambig)
&rst
ixpk= 1189, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 226,1704,
&end
#
# 19 PHE HE 111 LEU HN 4.50 (# 1190:15 Unique 2.27, 4.77 A)
&rst
ixpk= 1190, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 268, 272,
&end
#
# 19 PHE HD 111 LEU HN 4.50 (# 1191:15 Unique 2.59, 4.80 A)
&rst
ixpk= 1191, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 266, 274,
&end
#
# 110 SER HA 111 LEU HN 2.80 (# 1192:15 Unique 2.11, 2.19 A)
&rst
ixpk= 1192, nxpk= 15, iat=1706,1715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1193 111 LEU HN 2.80 (# 1193:15 Single Ambig)
&rst
ixpk= 1193, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1717, 245,
&end
#
# 16 GLY HA+ 111 LEU HN 5.50 (# 1195:15 Unique 3.67, 5.08 A)
&rst
ixpk= 1195, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 221, 222,
&end
#
# 16 GLY HA- 111 LEU HN 5.50 (# 1196:15 Unique 3.67, 5.08 A)
&rst
ixpk= 1196, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 221, 222,
&end
#
# 110 SER HB- 111 LEU HN 3.50 (# 1197:15 Unique 2.77, 3.39 A)
&rst
ixpk= 1197, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1708,1709,
&end
#
# 0 AMB 15-2:1198 111 LEU HN 5.50 (# 1198:15 Single Ambig)
&rst
ixpk= 1198, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 250, 251, 233, 234,
&end
#
# 0 AMB 15-2:1199 111 LEU HN 5.50 (# 1199:15 Single Ambig)
&rst
ixpk= 1199, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 230, 231, 247, 248,
&end
#
# 0 AMB 15-2:1200 111 LEU HN 4.50 (# 1200:15 Single Ambig)
&rst
ixpk= 1200, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 230, 231, 250, 251,
&end
#
# 0 AMB 15-2:1201 111 LEU HN 3.50 (# 1201:15 Single Ambig)
&rst
ixpk= 1201, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1719,1720,1719,1720,
&end
#
# 0 AMB 15-2:1202 111 LEU HN 4.50 (# 1202:15 Single Ambig)
&rst
ixpk= 1202, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1722,1689,1690,
&end
#
# 0 AMB 15-2:1203 111 LEU HN 4.50 (# 1203:15 Single Ambig)
&rst
ixpk= 1203, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1724,1725,1726,1728,1729,1730,1803,1804,1805,
&end
#
# 111 LEU MDX 111 LEU HN 4.50 (# 1204:15 Unique 2.95, 5.06 A)
&rst
ixpk= 1204, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 115 GLN HN 112 THR HN 5.50 (# 1205:15 Unique 3.32, 3.50 A)
&rst
ixpk= 1205, nxpk= 15, iat=1773,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LEU HA 112 THR HN 2.80 (# 1206:15 Unique 2.26, 2.38 A)
&rst
ixpk= 1206, nxpk= 15, iat=1717,1734, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1208 112 THR HN 3.50 (# 1208:15 Single Ambig)
&rst
ixpk= 1208, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1738,1736,
&end
#
# 115 GLN HA 112 THR HN 5.50 (# 1209:15 Unique 5.18, 5.44 A)
&rst
ixpk= 1209, nxpk= 15, iat=1775,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1210 112 THR HN 3.50 (# 1210:15 Single Ambig)
&rst
ixpk= 1210, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1777,1778,1780,1781,
&end
#
# 0 AMB 15-2:1211 112 THR HN 3.50 (# 1211:15 Single Ambig)
&rst
ixpk= 1211, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1777,1778,1780,1781,
&end
#
# 0 AMB 15-2:1212 112 THR HN 3.50 (# 1212:15 Single Ambig)
&rst
ixpk= 1212, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1719,1720,1719,1720,
&end
#
# 111 LEU HG 112 THR HN 4.50 (# 1213:15 Unique 3.94, 4.13 A)
&rst
ixpk= 1213, nxpk= 15, iat=1722,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 THR MG2 112 THR HN 4.50 (# 1214:15 Unique 2.98, 4.47 A)
&rst
ixpk= 1214, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1740,1741,1742,
&end
#
# 0 AMB 15-2:1215 112 THR HN 4.50 (# 1215:15 Single Ambig)
&rst
ixpk= 1215, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1724,1725,1726,1728,1729,1730,1803,1804,1805,
&end
#
# 111 LEU MDX 112 THR HN 5.50 (# 1216:15 Unique 2.71, 5.33 A)
&rst
ixpk= 1216, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 114 GLU HN 113 ALA HN 3.50 (# 1218:15 Unique 2.68, 2.84 A)
&rst
ixpk= 1218, nxpk= 15, iat=1758,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1221 113 ALA HN 2.80 (# 1221:15 Single Ambig)
&rst
ixpk= 1221, nxpk= 15, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1736,1738,
&end
#
# 113 ALA HA 113 ALA HN 2.80 (# 1223:15 Unique 2.70, 2.79 A)
&rst
ixpk= 1223, nxpk= 15, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 PRO HG+ 113 ALA HN 5.50 (# 1224:15 Unique 2.06, 3.62 A)
&rst
ixpk= 1224, nxpk= 15, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 198, 199,
&end
#
# 113 ALA MB 113 ALA HN 2.80 (# 1225:15 Unique 2.33, 2.89 A)
&rst
ixpk= 1225, nxpk= 15, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1752,1753,1754,
&end
#
# 112 THR MG2 113 ALA HN 4.50 (# 1227:15 Unique 2.36, 3.45 A)
&rst
ixpk= 1227, nxpk= 15, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1740,1741,1742,
&end
#
# 116 ILE QD1 113 ALA HN 5.50 (# 1228:15 Unique 3.53, 5.41 A)
&rst
ixpk= 1228, nxpk= 15, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1803,1804,1805,
&end
#
# 112 THR HN 114 GLU HN 5.50 (# 1229:15 Unique 4.47, 4.76 A)
&rst
ixpk= 1229, nxpk= 15, iat=1734,1758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ALA HN 114 GLU HN 3.50 (# 1230:15 Unique 2.68, 2.84 A)
&rst
ixpk= 1230, nxpk= 15, iat=1748,1758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLN HN 114 GLU HN 2.80 (# 1231:15 Unique 2.69, 2.77 A)
&rst
ixpk= 1231, nxpk= 15, iat=1773,1758, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 ILE HN 114 GLU HN 5.50 (# 1232:15 Unique 3.85, 3.95 A)
&rst
ixpk= 1232, nxpk= 15, iat=1790,1758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 THR HB 114 GLU HN 4.50 (# 1235:15 Unique 2.17, 3.00 A)
&rst
ixpk= 1235, nxpk= 15, iat=1738,1758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLN HA 114 GLU HN 5.50 (# 1236:15 Unique 5.31, 5.39 A)
&rst
ixpk= 1236, nxpk= 15, iat=1775,1758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 GLU HA 114 GLU HN 2.80 (# 1237:15 Unique 2.76, 2.82 A)
&rst
ixpk= 1237, nxpk= 15, iat=1760,1758, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 ALA HA 114 GLU HN 4.50 (# 1238:15 Unique 3.45, 3.53 A)
&rst
ixpk= 1238, nxpk= 15, iat=1750,1758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 GLU HG+ 114 GLU HN 3.50 (# 1239:15 Unique 2.00, 3.11 A)
&rst
ixpk= 1239, nxpk= 15, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1765,1766,
&end
#
# 114 GLU HG- 114 GLU HN 3.50 (# 1240:15 Unique 2.00, 3.11 A)
&rst
ixpk= 1240, nxpk= 15, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1765,1766,
&end
#
# 0 AMB 15-2:1241 114 GLU HN 2.80 (# 1241:15 Single Ambig)
&rst
ixpk= 1241, nxpk= 15, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 198, 199,1762,1763,
&end
#
# 113 ALA MB 114 GLU HN 3.50 (# 1242:15 Unique 2.82, 3.67 A)
&rst
ixpk= 1242, nxpk= 15, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1752,1753,1754,
&end
#
# 112 THR MG2 114 GLU HN 5.50 (# 1243:15 Unique 1.82, 3.57 A)
&rst
ixpk= 1243, nxpk= 15, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1740,1741,1742,
&end
#
# 112 THR HN 115 GLN HN 5.50 (# 1244:15 Unique 3.32, 3.50 A)
&rst
ixpk= 1244, nxpk= 15, iat=1734,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1245 115 GLN HN 5.50 (# 1245:15 Single Ambig)
&rst
ixpk= 1245, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1748,2092,
&end
#
# 114 GLU HN 115 GLN HN 3.50 (# 1246:15 Unique 2.69, 2.77 A)
&rst
ixpk= 1246, nxpk= 15, iat=1758,1773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 ILE HN 115 GLN HN 2.80 (# 1247:15 Unique 2.05, 2.28 A)
&rst
ixpk= 1247, nxpk= 15, iat=1790,1773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 111 LEU HA 115 GLN HN 5.50 (# 1248:15 Unique 5.38, 5.68 A)
&rst
ixpk= 1248, nxpk= 15, iat=1717,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1250 115 GLN HN 5.50 (# 1250:15 Single Ambig)
&rst
ixpk= 1250, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1736, 181,
&end
#
# 0 AMB 15-2:1251 115 GLN HN 5.50 (# 1251:15 Single Ambig)
&rst
ixpk= 1251, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1792, 210,1811,
&end
#
# 115 GLN HA 115 GLN HN 2.80 (# 1252:15 Unique 2.87, 2.90 A)
&rst
ixpk= 1252, nxpk= 15, iat=1775,1773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 GLU HA 115 GLN HN 3.50 (# 1253:15 Unique 3.38, 3.53 A)
&rst
ixpk= 1253, nxpk= 15, iat=1760,1773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ALA HA 115 GLN HN 5.50 (# 1254:15 Unique 3.53, 3.89 A)
&rst
ixpk= 1254, nxpk= 15, iat=1750,1773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1255 115 GLN HN 2.80 (# 1255:15 Single Ambig)
&rst
ixpk= 1255, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1777,1778,1780,1781,
&end
#
# 0 AMB 15-2:1256 115 GLN HN 2.80 (# 1256:15 Single Ambig)
&rst
ixpk= 1256, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1777,1778,1780,1781,1765,1766,
&end
#
# 114 GLU HB- 115 GLN HN 3.50 (# 1257:15 Unique 2.65, 3.40 A)
&rst
ixpk= 1257, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1762,1763,
&end
#
# 0 AMB 15-2:1258 115 GLN HN 3.50 (# 1258:15 Single Ambig)
&rst
ixpk= 1258, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1800,1801,1719,1720,1719,1720,
&end
#
# 113 ALA MB 115 GLN HN 5.50 (# 1259:15 Unique 4.91, 5.45 A)
&rst
ixpk= 1259, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1752,1753,1754,
&end
#
# 0 AMB 15-2:1260 115 GLN HN 5.50 (# 1260:15 Single Ambig)
&rst
ixpk= 1260, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1740,1741,1742,1813,1814,
&end
#
# 0 AMB 15-2:1261 115 GLN HN 5.50 (# 1261:15 Single Ambig)
&rst
ixpk= 1261, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1803,1804,1805,1724,1725,1726,1728,1729,1730,
&end
#
# 116 ILE HG1+ 115 GLN HN 5.50 (# 1262:15 Unique 3.61, 4.78 A)
&rst
ixpk= 1262, nxpk= 15, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1800,1801,
&end
#
# 117 ARG HN 116 ILE HN 5.50 (# 1263:15 Unique 3.54, 3.92 A)
&rst
ixpk= 1263, nxpk= 15, iat=1809,1790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 THR HN 116 ILE HN 5.50 (# 1264:15 Unique 3.97, 4.32 A)
&rst
ixpk= 1264, nxpk= 15, iat=1734,1790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1265 116 ILE HN 5.50 (# 1265:15 Single Ambig)
&rst
ixpk= 1265, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1748,2092,
&end
#
# 114 GLU HN 116 ILE HN 5.50 (# 1266:15 Unique 3.85, 3.95 A)
&rst
ixpk= 1266, nxpk= 15, iat=1758,1790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLN HN 116 ILE HN 2.80 (# 1267:15 Unique 2.05, 2.28 A)
&rst
ixpk= 1267, nxpk= 15, iat=1773,1790, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 ILE HA 116 ILE HN 3.50 (# 1268:15 Unique 2.87, 2.92 A)
&rst
ixpk= 1268, nxpk= 15, iat=1792,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLN HA 116 ILE HN 3.50 (# 1269:15 Unique 3.32, 3.54 A)
&rst
ixpk= 1269, nxpk= 15, iat=1775,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 GLU HA 116 ILE HN 4.50 (# 1270:15 Unique 3.91, 4.48 A)
&rst
ixpk= 1270, nxpk= 15, iat=1760,1790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ALA HA 116 ILE HN 4.50 (# 1271:15 Unique 2.35, 2.73 A)
&rst
ixpk= 1271, nxpk= 15, iat=1750,1790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLN HB+ 116 ILE HN 3.50 (# 1272:15 Unique 2.51, 3.25 A)
&rst
ixpk= 1272, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1777,1778,
&end
#
# 115 GLN HB- 116 ILE HN 3.50 (# 1273:15 Unique 2.51, 3.25 A)
&rst
ixpk= 1273, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1777,1778,
&end
#
# 116 ILE HB 116 ILE HN 2.80 (# 1274:15 Unique 2.47, 2.59 A)
&rst
ixpk= 1274, nxpk= 15, iat=1794,1790, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1276 116 ILE HN 3.50 (# 1276:15 Single Ambig)
&rst
ixpk= 1276, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1803,1804,1805,1724,1725,1726,1728,1729,1730,1796,
1797,1798,
&end
#
# 116 ILE HG1+ 116 ILE HN 3.50 (# 1277:15 Unique 2.25, 3.11 A)
&rst
ixpk= 1277, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1800,1801,
&end
#
# 111 LEU MDX 116 ILE HN 5.50 (# 1278:15 Unique 4.08, 6.62 A)
&rst
ixpk= 1278, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 15-2:1279 116 ILE HN 5.50 (# 1279:15 Single Ambig)
&rst
ixpk= 1279, nxpk= 15, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 198, 199,1762,1763,
&end
#
# 118 PRO HA 119 ALA HN 2.80 (# 1280:15 Unique 2.47, 2.59 A)
&rst
ixpk= 1280, nxpk= 15, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1281 119 ALA HN 2.80 (# 1281:15 Single Ambig)
&rst
ixpk= 1281, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1849,2061,2062,
&end
#
# 118 PRO HD+ 119 ALA HN 5.50 (# 1282:15 Unique 5.15, 5.41 A)
&rst
ixpk= 1282, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1834,1835,
&end
#
# 0 AMB 15-2:1283 119 ALA HN 4.50 (# 1283:15 Single Ambig)
&rst
ixpk= 1283, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1858,1859,1834,1835,
&end
#
# 120 PRO HD- 119 ALA HN 5.50 (# 1284:15 Unique 4.52, 4.91 A)
&rst
ixpk= 1284, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 118 PRO HB+ 119 ALA HN 3.50 (# 1285:15 Unique 2.14, 2.84 A)
&rst
ixpk= 1285, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1840,1841,
&end
#
# 121 GLU HG- 119 ALA HN 5.50 (# 1286:15 Unique 3.87, 5.42 A)
&rst
ixpk= 1286, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1878,1879,
&end
#
# 0 AMB 15-2:1287 119 ALA HN 5.50 (# 1287:15 Single Ambig)
&rst
ixpk= 1287, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1837,1838,1875,1876,
&end
#
# 118 PRO HB- 119 ALA HN 3.50 (# 1288:15 Unique 2.14, 2.84 A)
&rst
ixpk= 1288, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1840,1841,
&end
#
# 119 ALA MB 119 ALA HN 2.80 (# 1289:15 Unique 2.82, 3.40 A)
&rst
ixpk= 1289, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1851,1852,1853,
&end
#
# 0 AMB 15-2:1290 119 ALA HN 5.50 (# 1290:15 Single Ambig)
&rst
ixpk= 1290, nxpk= 15, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 122 PHE HN 121 GLU HN 3.50 (# 1291:15 Unique 2.03, 2.39 A)
&rst
ixpk= 1291, nxpk= 15, iat=1886,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PRO HA 121 GLU HN 3.50 (# 1293:15 Unique 2.06, 2.47 A)
&rst
ixpk= 1293, nxpk= 15, iat=1867,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 GLU HA 121 GLU HN 2.80 (# 1294:15 Unique 2.23, 2.76 A)
&rst
ixpk= 1294, nxpk= 15, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 121 GLU HG+ 121 GLU HN 3.50 (# 1295:15 Unique 2.19, 3.44 A)
&rst
ixpk= 1295, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1878,1879,
&end
#
# 121 GLU HG- 121 GLU HN 3.50 (# 1296:15 Unique 2.19, 3.44 A)
&rst
ixpk= 1296, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1878,1879,
&end
#
# 121 GLU HB+ 121 GLU HN 3.50 (# 1297:15 Unique 2.41, 3.32 A)
&rst
ixpk= 1297, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1875,1876,
&end
#
# 0 AMB 15-2:1298 121 GLU HN 5.50 (# 1298:15 Single Ambig)
&rst
ixpk= 1298, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1864,1865,1861,1862,1875,1876,
&end
#
# 120 PRO HB- 121 GLU HN 4.50 (# 1299:15 Unique 1.79, 3.41 A)
&rst
ixpk= 1299, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1864,1865,
&end
#
# 121 GLU HN 122 PHE HN 4.50 (# 1300:15 Unique 2.03, 2.39 A)
&rst
ixpk= 1300, nxpk= 15, iat=1871,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 ALA HN 122 PHE HN 5.50 (# 1301:15 Unique 2.73, 3.86 A)
&rst
ixpk= 1301, nxpk= 15, iat=1906,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 PHE HA 122 PHE HN 4.50 (# 1302:15 Unique 2.22, 2.80 A)
&rst
ixpk= 1302, nxpk= 15, iat=1888,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 GLU HA 122 PHE HN 4.50 (# 1303:15 Unique 2.60, 3.08 A)
&rst
ixpk= 1303, nxpk= 15, iat=1873,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1304 122 PHE HN 4.50 (# 1304:15 Single Ambig)
&rst
ixpk= 1304, nxpk= 15, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1890,1891,1890,1891,
&end
#
# 0 AMB 15-2:1305 122 PHE HN 5.50 (# 1305:15 Single Ambig)
&rst
ixpk= 1305, nxpk= 15, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1864,1865,1861,1862,
&end
#
# 120 PRO HB- 122 PHE HN 5.50 (# 1306:15 Unique 2.30, 3.39 A)
&rst
ixpk= 1306, nxpk= 15, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1864,1865,
&end
#
# 122 PHE HN 123 ALA HN 4.50 (# 1307:15 Unique 2.73, 3.86 A)
&rst
ixpk= 1307, nxpk= 15, iat=1886,1906, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 PHE HA 123 ALA HN 2.80 (# 1310:15 Unique 2.32, 2.70 A)
&rst
ixpk= 1310, nxpk= 15, iat=1888,1906, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 ALA HA 123 ALA HN 3.50 (# 1311:15 Unique 2.21, 2.74 A)
&rst
ixpk= 1311, nxpk= 15, iat=1908,1906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1312 123 ALA HN 3.50 (# 1312:15 Single Ambig)
&rst
ixpk= 1312, nxpk= 15, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1890,1891,1890,1891,
&end
#
# 123 ALA MB 123 ALA HN 2.80 (# 1313:15 Unique 2.43, 3.03 A)
&rst
ixpk= 1313, nxpk= 15, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1910,1911,1912,
&end
#
# 126 LEU HN 125 THR HN 5.50 (# 1315:15 Unique 2.13, 2.84 A)
&rst
ixpk= 1315, nxpk= 15, iat=1946,1932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 PHE HA 125 THR HN 4.50 (# 1316:15 Unique 2.17, 3.66 A)
&rst
ixpk= 1316, nxpk= 15, iat=1177,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 VAL HA 125 THR HN 3.50 (# 1317:15 Unique 2.30, 2.45 A)
&rst
ixpk= 1317, nxpk= 15, iat=1918,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 THR HB 125 THR HN 4.50 (# 1318:15 Unique 2.10, 2.61 A)
&rst
ixpk= 1318, nxpk= 15, iat=1936,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1319 125 THR HN 4.50 (# 1319:15 Single Ambig)
&rst
ixpk= 1319, nxpk= 15, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1934,1199,1200,1199,1200,
&end
#
# 124 VAL HB 125 THR HN 3.50 (# 1320:15 Unique 2.21, 2.57 A)
&rst
ixpk= 1320, nxpk= 15, iat=1920,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 THR MG2 125 THR HN 4.50 (# 1322:15 Unique 2.22, 4.39 A)
&rst
ixpk= 1322, nxpk= 15, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1938,1939,1940,
&end
#
# 124 VAL MGX 125 THR HN 3.50 (# 1323:15 Unique 2.06, 4.47 A)
&rst
ixpk= 1323, nxpk= 15, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1922,1923,1924,1926,1927,1928,
&end
#
# 125 THR HN 126 LEU HN 5.50 (# 1325:15 Unique 2.13, 2.84 A)
&rst
ixpk= 1325, nxpk= 15, iat=1932,1946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 PHE HA 126 LEU HN 5.50 (# 1326:15 Unique 2.32, 3.65 A)
&rst
ixpk= 1326, nxpk= 15, iat=1177,1946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 THR HB 126 LEU HN 5.50 (# 1327:15 Unique 2.12, 2.67 A)
&rst
ixpk= 1327, nxpk= 15, iat=1936,1946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 THR HA 126 LEU HN 4.50 (# 1328:15 Unique 2.17, 3.50 A)
&rst
ixpk= 1328, nxpk= 15, iat=1934,1946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1329 126 LEU HN 4.50 (# 1329:15 Single Ambig)
&rst
ixpk= 1329, nxpk= 15, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1950,1951,1950,1951,
&end
#
# 0 AMB 15-2:1330 126 LEU HN 5.50 (# 1330:15 Single Ambig)
&rst
ixpk= 1330, nxpk= 15, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1953,1938,1939,1940,
&end
#
# 0 AMB 15-2:1331 126 LEU HN 5.50 (# 1331:15 Single Ambig)
&rst
ixpk= 1331, nxpk= 15, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,
&end
#
# 127 SER HA 127 SER HN 5.50 (# 1334:15 Unique 2.24, 2.76 A)
&rst
ixpk= 1334, nxpk= 15, iat=1967,1965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1335 127 SER HN 3.50 (# 1335:15 Single Ambig)
&rst
ixpk= 1335, nxpk= 15, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1948,1969,1970,1969,1970,
&end
#
# 126 LEU HG 127 SER HN 5.50 (# 1336:15 Unique 1.84, 4.16 A)
&rst
ixpk= 1336, nxpk= 15, iat=1953,1965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 GLU HN 128 THR HN 4.50 (# 1337:15 Unique 1.79, 2.80 A)
&rst
ixpk= 1337, nxpk= 15, iat=1990,1976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 SER HA 128 THR HN 2.80 (# 1340:15 Unique 2.08, 2.57 A)
&rst
ixpk= 1340, nxpk= 15, iat=1967,1976, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 128 THR HB 128 THR HN 3.50 (# 1342:15 Unique 2.24, 3.33 A)
&rst
ixpk= 1342, nxpk= 15, iat=1980,1976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1343 128 THR HN 3.50 (# 1343:15 Single Ambig)
&rst
ixpk= 1343, nxpk= 15, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1969,1970,1969,1970,
&end
#
# 128 THR HA 128 THR HN 3.50 (# 1344:15 Unique 2.20, 2.84 A)
&rst
ixpk= 1344, nxpk= 15, iat=1978,1976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 THR MG2 128 THR HN 3.50 (# 1345:15 Unique 2.03, 3.40 A)
&rst
ixpk= 1345, nxpk= 15, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1982,1983,1984,
&end
#
# 0 AMB 15-2:1346 128 THR HN 5.50 (# 1346:15 Single Ambig)
&rst
ixpk= 1346, nxpk= 15, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 128 THR HN 129 GLU HN 4.50 (# 1347:15 Unique 1.79, 2.80 A)
&rst
ixpk= 1347, nxpk= 15, iat=1976,1990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU HN 129 GLU HN 5.50 (# 1348:15 Unique 2.67, 3.70 A)
&rst
ixpk= 1348, nxpk= 15, iat=2026,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TYR HN 129 GLU HN 4.50 (# 1349:15 Unique 1.86, 2.79 A)
&rst
ixpk= 1349, nxpk= 15, iat=2005,1990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 SER HA 129 GLU HN 5.50 (# 1352:15 Unique 3.88, 4.43 A)
&rst
ixpk= 1352, nxpk= 15, iat=1967,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 GLU HA 129 GLU HN 3.50 (# 1353:15 Unique 2.69, 2.84 A)
&rst
ixpk= 1353, nxpk= 15, iat=1992,1990, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 THR HA 129 GLU HN 5.50 (# 1355:15 Unique 2.36, 3.09 A)
&rst
ixpk= 1355, nxpk= 15, iat=1978,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 LEU HG 129 GLU HN 5.50 (# 1356:15 Unique 3.23, 4.99 A)
&rst
ixpk= 1356, nxpk= 15, iat=2033,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1357 129 GLU HN 4.50 (# 1357:15 Single Ambig)
&rst
ixpk= 1357, nxpk= 15, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1997,1998,1997,1998,
&end
#
# 0 AMB 15-2:1358 129 GLU HN 5.50 (# 1358:15 Single Ambig)
&rst
ixpk= 1358, nxpk= 15, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1982,1983,1984,1953,
&end
#
# 129 GLU HN 130 TYR HN 4.50 (# 1359:15 Unique 1.86, 2.79 A)
&rst
ixpk= 1359, nxpk= 15, iat=1990,2005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU HN 130 TYR HN 2.80 (# 1360:15 Unique 1.78, 2.57 A)
&rst
ixpk= 1360, nxpk= 15, iat=2026,2005, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 TYR HD 130 TYR HN 4.50 (# 1361:15 Unique 1.87, 4.56 A)
&rst
ixpk= 1361, nxpk= 15, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2013,2022,
&end
#
# 130 TYR HA 130 TYR HN 4.50 (# 1362:15 Unique 2.22, 2.69 A)
&rst
ixpk= 1362, nxpk= 15, iat=2007,2005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 GLU HA 130 TYR HN 5.50 (# 1363:15 Unique 2.01, 3.18 A)
&rst
ixpk= 1363, nxpk= 15, iat=1992,2005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TYR HB+ 130 TYR HN 5.50 (# 1364:15 Unique 2.35, 3.31 A)
&rst
ixpk= 1364, nxpk= 15, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2009,2010,
&end
#
# 130 TYR HB- 130 TYR HN 4.50 (# 1365:15 Unique 2.35, 3.31 A)
&rst
ixpk= 1365, nxpk= 15, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2009,2010,
&end
#
# 0 AMB 15-2:1367 130 TYR HN 4.50 (# 1367:15 Single Ambig)
&rst
ixpk= 1367, nxpk= 15, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1994,1995,1997,1998,1997,1998,
&end
#
# 0 AMB 15-2:1368 130 TYR HN 5.50 (# 1368:15 Single Ambig)
&rst
ixpk= 1368, nxpk= 15, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 146 ASN HN 132 THR HN 5.50 (# 1369:15 Unique 3.51, 4.13 A)
&rst
ixpk= 1369, nxpk= 15, iat=2254,2045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLY HN 132 THR HN 4.50 (# 1370:15 Unique 1.79, 4.25 A)
&rst
ixpk= 1370, nxpk= 15, iat=2059,2045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU HA 132 THR HN 3.50 (# 1371:15 Unique 2.07, 2.20 A)
&rst
ixpk= 1371, nxpk= 15, iat=2028,2045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1372 132 THR HN 5.50 (# 1372:15 Single Ambig)
&rst
ixpk= 1372, nxpk= 15, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2240,2007,
&end
#
# 132 THR HA 132 THR HN 4.50 (# 1373:15 Unique 2.23, 2.75 A)
&rst
ixpk= 1373, nxpk= 15, iat=2047,2045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 THR HB 132 THR HN 4.50 (# 1374:15 Unique 2.48, 3.35 A)
&rst
ixpk= 1374, nxpk= 15, iat=2049,2045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1375 132 THR HN 5.50 (# 1375:15 Single Ambig)
&rst
ixpk= 1375, nxpk= 15, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2033,2030,2031,
&end
#
# 0 AMB 15-2:1376 132 THR HN 5.50 (# 1376:15 Single Ambig)
&rst
ixpk= 1376, nxpk= 15, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2030,2031,1950,1951,
&end
#
# 132 THR MG2 132 THR HN 4.50 (# 1377:15 Unique 2.03, 3.08 A)
&rst
ixpk= 1377, nxpk= 15, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2051,2052,2053,
&end
#
# 0 AMB 15-2:1378 132 THR HN 4.50 (# 1378:15 Single Ambig)
&rst
ixpk= 1378, nxpk= 15, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 132 THR HN 133 GLY HN 4.50 (# 1379:15 Unique 1.79, 4.25 A)
&rst
ixpk= 1379, nxpk= 15, iat=2045,2059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1380 133 GLY HN 5.50 (# 1380:15 Single Ambig)
&rst
ixpk= 1380, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2028,2068,
&end
#
# 132 THR HA 133 GLY HN 5.50 (# 1382:15 Unique 2.12, 2.43 A)
&rst
ixpk= 1382, nxpk= 15, iat=2047,2059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1383 133 GLY HN 2.80 (# 1383:15 Single Ambig)
&rst
ixpk= 1383, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2061,2062,2061,2062,
&end
#
# 144 LEU HB+ 133 GLY HN 5.50 (# 1384:15 Unique 2.99, 3.70 A)
&rst
ixpk= 1384, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2223,2224,
&end
#
# 132 THR MG2 133 GLY HN 4.50 (# 1385:15 Unique 2.77, 4.40 A)
&rst
ixpk= 1385, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2051,2052,2053,
&end
#
# 0 AMB 15-2:1386 133 GLY HN 5.50 (# 1386:15 Single Ambig)
&rst
ixpk= 1386, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,1796,1797,1798,
&end
#
# 0 AMB 15-2:1387 133 GLY HN 5.50 (# 1387:15 Single Ambig)
&rst
ixpk= 1387, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2228,2229,2230,2232,2233,2234,1955,1956,1957,1959,
1960,1961,
&end
#
# 117 ARG HN 134 LEU HN 5.50 (# 1388:15 Unique 3.41, 4.13 A)
&rst
ixpk= 1388, nxpk= 15, iat=1809,2066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HA 134 LEU HN 4.50 (# 1389:15 Unique 2.87, 2.90 A)
&rst
ixpk= 1389, nxpk= 15, iat=2068,2066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1391 134 LEU HN 4.50 (# 1391:15 Single Ambig)
&rst
ixpk= 1391, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1792,1811,1843,
&end
#
# 0 AMB 15-2:1393 134 LEU HN 2.80 (# 1393:15 Single Ambig)
&rst
ixpk= 1393, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=2061,2062,2061,2062,1849,
&end
#
# 0 AMB 15-2:1394 134 LEU HN 5.50 (# 1394:15 Single Ambig)
&rst
ixpk= 1394, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1834,1835,1858,1859,
&end
#
# 118 PRO HG+ 134 LEU HN 5.50 (# 1395:15 Unique 3.39, 4.48 A)
&rst
ixpk= 1395, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1837,1838,
&end
#
# 0 AMB 15-2:1396 134 LEU HN 4.50 (# 1396:15 Single Ambig)
&rst
ixpk= 1396, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1837,1838,1800,1801,1861,1862,
&end
#
# 134 LEU HB+ 134 LEU HN 3.50 (# 1397:15 Unique 2.43, 3.62 A)
&rst
ixpk= 1397, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2070,2071,
&end
#
# 134 LEU HB- 134 LEU HN 3.50 (# 1398:15 Unique 2.43, 3.62 A)
&rst
ixpk= 1398, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2070,2071,
&end
#
# 119 ALA MB 134 LEU HN 5.50 (# 1399:15 Unique 3.93, 4.83 A)
&rst
ixpk= 1399, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1851,1852,1853,
&end
#
# 0 AMB 15-2:1400 134 LEU HN 4.50 (# 1400:15 Single Ambig)
&rst
ixpk= 1400, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 116 ILE QG2 134 LEU HN 4.50 (# 1401:15 Unique 2.92, 4.48 A)
&rst
ixpk= 1401, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1796,1797,1798,
&end
#
# 144 LEU MDX 134 LEU HN 5.50 (# 1402:15 Unique 3.59, 6.44 A)
&rst
ixpk= 1402, nxpk= 15, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 134 LEU HA 135 GLY HN 3.50 (# 1403:15 Unique 2.17, 2.33 A)
&rst
ixpk= 1403, nxpk= 15, iat=2068,2085, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 GLY HA- 135 GLY HN 5.50 (# 1404:15 Unique 2.61, 2.80 A)
&rst
ixpk= 1404, nxpk= 15, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2087,2088,
&end
#
# 0 AMB 15-2:1405 135 GLY HN 5.50 (# 1405:15 Single Ambig)
&rst
ixpk= 1405, nxpk= 15, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2070,2071,2226,
&end
#
# 0 AMB 15-2:1406 135 GLY HN 5.50 (# 1406:15 Single Ambig)
&rst
ixpk= 1406, nxpk= 15, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 135 GLY HN 136 ALA HN 5.50 (# 1407:15 Unique 4.30, 4.34 A)
&rst
ixpk= 1407, nxpk= 15, iat=2085,2092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 LEU HN 136 ALA HN 5.50 (# 1408:15 Unique 4.30, 4.36 A)
&rst
ixpk= 1408, nxpk= 15, iat=2102,2092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 ALA HA 136 ALA HN 3.50 (# 1410:15 Unique 2.93, 2.96 A)
&rst
ixpk= 1410, nxpk= 15, iat=2094,2092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 GLY HA+ 136 ALA HN 2.80 (# 1411:15 Unique 2.49, 2.63 A)
&rst
ixpk= 1411, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2087,2088,
&end
#
# 116 ILE HA 136 ALA HN 5.50 (# 1412:15 Unique 3.94, 4.96 A)
&rst
ixpk= 1412, nxpk= 15, iat=1792,2092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLN HA 136 ALA HN 3.50 (# 1413:15 Unique 3.60, 4.11 A)
&rst
ixpk= 1413, nxpk= 15, iat=1775,2092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 GLY HA- 136 ALA HN 3.50 (# 1414:15 Unique 2.49, 2.63 A)
&rst
ixpk= 1414, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2087,2088,
&end
#
# 115 GLN HB+ 136 ALA HN 4.50 (# 1415:15 Unique 1.74, 2.84 A)
&rst
ixpk= 1415, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1777,1778,
&end
#
# 115 GLN HB- 136 ALA HN 5.50 (# 1416:15 Unique 1.74, 2.84 A)
&rst
ixpk= 1416, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1777,1778,
&end
#
# 136 ALA MB 136 ALA HN 2.80 (# 1417:15 Unique 2.62, 3.30 A)
&rst
ixpk= 1417, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2096,2097,2098,
&end
#
# 0 AMB 15-2:1419 136 ALA HN 5.50 (# 1419:15 Single Ambig)
&rst
ixpk= 1419, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 111 LEU MDY 136 ALA HN 4.50 (# 1420:15 Unique 2.28, 4.52 A)
&rst
ixpk= 1420, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 LEU MDX 136 ALA HN 5.50 (# 1421:15 Unique 2.28, 4.52 A)
&rst
ixpk= 1421, nxpk= 15, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 142 LEU HN 137 LEU HN 5.50 (# 1422:15 Unique 4.14, 5.13 A)
&rst
ixpk= 1422, nxpk= 15, iat=2181,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1423 137 LEU HN 5.50 (# 1423:15 Single Ambig)
&rst
ixpk= 1423, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2121,2128,
&end
#
# 140 ARG HN 137 LEU HN 5.50 (# 1424:15 Unique 2.73, 3.02 A)
&rst
ixpk= 1424, nxpk= 15, iat=2140,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 MET HA 137 LEU HN 4.50 (# 1425:15 Unique 3.18, 3.46 A)
&rst
ixpk= 1425, nxpk= 15, iat=2166,2102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 ALA HA 137 LEU HN 2.80 (# 1426:15 Unique 2.12, 2.23 A)
&rst
ixpk= 1426, nxpk= 15, iat=2094,2102, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 LEU HA 137 LEU HN 3.50 (# 1429:15 Unique 2.93, 2.95 A)
&rst
ixpk= 1429, nxpk= 15, iat=2104,2102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 ARG HB+ 137 LEU HN 5.50 (# 1430:15 Unique 2.79, 3.97 A)
&rst
ixpk= 1430, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2144,2145,
&end
#
# 140 ARG HB- 137 LEU HN 5.50 (# 1431:15 Unique 2.79, 3.97 A)
&rst
ixpk= 1431, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2144,2145,
&end
#
# 137 LEU HB+ 137 LEU HN 4.50 (# 1432:15 Unique 2.54, 3.24 A)
&rst
ixpk= 1432, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2106,2107,
&end
#
# 137 LEU HB- 137 LEU HN 3.50 (# 1433:15 Unique 2.54, 3.24 A)
&rst
ixpk= 1433, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2106,2107,
&end
#
# 136 ALA MB 137 LEU HN 3.50 (# 1434:15 Unique 2.41, 3.47 A)
&rst
ixpk= 1434, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2096,2097,2098,
&end
#
# 0 AMB 15-2:1435 137 LEU HN 4.50 (# 1435:15 Single Ambig)
&rst
ixpk= 1435, nxpk= 15, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 137 LEU HN 138 GLY HN 5.50 (# 1436:15 Unique 2.90, 3.27 A)
&rst
ixpk= 1436, nxpk= 15, iat=2102,2121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 LEU HA 138 GLY HN 3.50 (# 1438:15 Unique 2.16, 2.39 A)
&rst
ixpk= 1438, nxpk= 15, iat=2104,2121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 GLY HA+ 138 GLY HN 4.50 (# 1439:15 Unique 2.26, 2.56 A)
&rst
ixpk= 1439, nxpk= 15, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2123,2124,
&end
#
# 138 GLY HA- 138 GLY HN 3.50 (# 1440:15 Unique 2.26, 2.56 A)
&rst
ixpk= 1440, nxpk= 15, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2123,2124,
&end
#
# 136 ALA MB 138 GLY HN 5.50 (# 1441:15 Unique 3.41, 4.64 A)
&rst
ixpk= 1441, nxpk= 15, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2096,2097,2098,
&end
#
# 0 AMB 15-2:1442 138 GLY HN 5.50 (# 1442:15 Single Ambig)
&rst
ixpk= 1442, nxpk= 15, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 140 ARG HN 139 ASP HN 4.50 (# 1443:15 Unique 1.74, 1.83 A)
&rst
ixpk= 1443, nxpk= 15, iat=2140,2128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 LEU HA 139 ASP HN 4.50 (# 1446:15 Unique 4.50, 4.54 A)
&rst
ixpk= 1446, nxpk= 15, iat=2104,2128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 ARG HA 139 ASP HN 5.50 (# 1447:15 Unique 4.48, 4.56 A)
&rst
ixpk= 1447, nxpk= 15, iat=2142,2128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 GLY HA+ 139 ASP HN 3.50 (# 1448:15 Unique 2.46, 3.08 A)
&rst
ixpk= 1448, nxpk= 15, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2123,2124,
&end
#
# 138 GLY HA- 139 ASP HN 3.50 (# 1449:15 Unique 2.46, 3.08 A)
&rst
ixpk= 1449, nxpk= 15, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2123,2124,
&end
#
# 139 ASP HB+ 139 ASP HN 4.50 (# 1451:15 Unique 2.70, 3.03 A)
&rst
ixpk= 1451, nxpk= 15, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2132,2133,
&end
#
# 135 GLY HN 142 LEU HN 5.50 (# 1454:15 Unique 2.62, 2.76 A)
&rst
ixpk= 1454, nxpk= 15, iat=2085,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1455 142 LEU HN 5.50 (# 1455:15 Single Ambig)
&rst
ixpk= 1455, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2164,2200,
&end
#
# 141 MET HA 142 LEU HN 2.80 (# 1456:15 Unique 2.17, 2.23 A)
&rst
ixpk= 1456, nxpk= 15, iat=2166,2181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 ALA HA 142 LEU HN 4.50 (# 1457:15 Unique 3.10, 3.40 A)
&rst
ixpk= 1457, nxpk= 15, iat=2094,2181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 LEU HA 142 LEU HN 3.50 (# 1458:15 Unique 2.91, 2.99 A)
&rst
ixpk= 1458, nxpk= 15, iat=2183,2181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 MET HB+ 142 LEU HN 5.50 (# 1459:15 Unique 2.53, 3.58 A)
&rst
ixpk= 1459, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2168,2169,
&end
#
# 141 MET HB- 142 LEU HN 4.50 (# 1460:15 Unique 2.53, 3.58 A)
&rst
ixpk= 1460, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2168,2169,
&end
#
# 0 AMB 15-2:1461 142 LEU HN 4.50 (# 1461:15 Single Ambig)
&rst
ixpk= 1461, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2188,2096,2097,2098,2226,
&end
#
# 0 AMB 15-2:1462 142 LEU HN 2.80 (# 1462:15 Single Ambig)
&rst
ixpk= 1462, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2185,2186,2185,2186,
&end
#
# 0 AMB 15-2:1463 142 LEU HN 5.50 (# 1463:15 Single Ambig)
&rst
ixpk= 1463, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 15-2:1464 142 LEU HN 5.50 (# 1464:15 Single Ambig)
&rst
ixpk= 1464, nxpk= 15, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 30 GLY HN 143 ILE HN 5.50 (# 1465:15 Unique 3.52, 3.58 A)
&rst
ixpk= 1465, nxpk= 15, iat= 436,2200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 143 ILE HN 5.50 (# 1466:15 Unique 3.54, 4.63 A)
&rst
ixpk= 1466, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 432,
&end
#
# 29 TYR HA 143 ILE HN 3.50 (# 1467:15 Unique 1.86, 2.01 A)
&rst
ixpk= 1467, nxpk= 15, iat= 417,2200, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 LEU HA 143 ILE HN 2.80 (# 1468:15 Unique 2.16, 2.19 A)
&rst
ixpk= 1468, nxpk= 15, iat=2183,2200, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1469 143 ILE HN 3.50 (# 1469:15 Single Ambig)
&rst
ixpk= 1469, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2204,2210,2211,
&end
#
# 0 AMB 15-2:1470 143 ILE HN 5.50 (# 1470:15 Single Ambig)
&rst
ixpk= 1470, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2185,2186,2185,2186,
&end
#
# 0 AMB 15-2:1471 143 ILE HN 4.50 (# 1471:15 Single Ambig)
&rst
ixpk= 1471, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081, 419, 420,2206,2207,2208,
&end
#
# 143 ILE HG1- 143 ILE HN 5.50 (# 1472:15 Unique 2.36, 3.08 A)
&rst
ixpk= 1472, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2210,2211,
&end
#
# 0 AMB 15-2:1473 143 ILE HN 3.50 (# 1473:15 Single Ambig)
&rst
ixpk= 1473, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2213,2214,2215,2190,2191,2192,2194,2195,2196,2190,
2191,2192,2194,2195,2196,
&end
#
# 135 GLY HN 144 LEU HN 5.50 (# 1474:15 Unique 3.90, 4.21 A)
&rst
ixpk= 1474, nxpk= 15, iat=2085,2219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 ILE HN 144 LEU HN 4.50 (# 1476:15 Unique 4.24, 4.42 A)
&rst
ixpk= 1476, nxpk= 15, iat=2200,2219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLY HN 144 LEU HN 5.50 (# 1477:15 Unique 2.99, 3.32 A)
&rst
ixpk= 1477, nxpk= 15, iat=2059,2219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 144 LEU HN 5.50 (# 1478:15 Unique 4.95, 6.64 A)
&rst
ixpk= 1478, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 432,
&end
#
# 134 LEU HA 144 LEU HN 4.50 (# 1479:15 Unique 1.94, 2.26 A)
&rst
ixpk= 1479, nxpk= 15, iat=2068,2219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 LEU HA 144 LEU HN 4.50 (# 1480:15 Unique 2.92, 2.96 A)
&rst
ixpk= 1480, nxpk= 15, iat=2221,2219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 ILE HA 144 LEU HN 2.80 (# 1481:15 Unique 2.11, 2.19 A)
&rst
ixpk= 1481, nxpk= 15, iat=2202,2219, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1482 144 LEU HN 5.50 (# 1482:15 Single Ambig)
&rst
ixpk= 1482, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2070,2071,2204,2210,2211,
&end
#
# 144 LEU HB+ 144 LEU HN 4.50 (# 1483:15 Unique 2.21, 2.98 A)
&rst
ixpk= 1483, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2223,2224,
&end
#
# 144 LEU HG 144 LEU HN 4.50 (# 1485:15 Unique 2.50, 3.90 A)
&rst
ixpk= 1485, nxpk= 15, iat=2226,2219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 LEU HB- 144 LEU HN 4.50 (# 1486:15 Unique 2.21, 2.98 A)
&rst
ixpk= 1486, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2223,2224,
&end
#
# 0 AMB 15-2:1487 144 LEU HN 3.50 (# 1487:15 Single Ambig)
&rst
ixpk= 1487, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2206,2207,2208,2075,2076,2077,2079,2080,2081,2075,
2076,2077,2079,2080,2081,
&end
#
# 144 LEU MDX 144 LEU HN 4.50 (# 1488:15 Unique 2.39, 4.32 A)
&rst
ixpk= 1488, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU MDY 144 LEU HN 4.50 (# 1489:15 Unique 2.39, 4.32 A)
&rst
ixpk= 1489, nxpk= 15, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 30 GLY HN 145 VAL HN 4.50 (# 1490:15 Unique 3.25, 3.48 A)
&rst
ixpk= 1490, nxpk= 15, iat= 436,2238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HE 145 VAL HN 5.50 (# 1491:15 Unique 5.73, 8.05 A)
&rst
ixpk= 1491, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 31 ILE HA 145 VAL HN 5.50 (# 1492:15 Unique 3.23, 3.46 A)
&rst
ixpk= 1492, nxpk= 15, iat= 445,2238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1493 145 VAL HN 2.80 (# 1493:15 Single Ambig)
&rst
ixpk= 1493, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2221,2240,
&end
#
# 145 VAL HB 145 VAL HN 3.50 (# 1494:15 Unique 2.26, 2.48 A)
&rst
ixpk= 1494, nxpk= 15, iat=2242,2238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 LEU HB+ 145 VAL HN 5.50 (# 1495:15 Unique 3.15, 3.94 A)
&rst
ixpk= 1495, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2223,2224,
&end
#
# 144 LEU HG 145 VAL HN 5.50 (# 1496:15 Unique 3.54, 5.11 A)
&rst
ixpk= 1496, nxpk= 15, iat=2226,2238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL MGY 145 VAL HN 3.50 (# 1497:15 Unique 1.99, 3.76 A)
&rst
ixpk= 1497, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2244,2245,2246,2248,2249,2250,
&end
#
# 145 VAL MGX 145 VAL HN 3.50 (# 1498:15 Unique 1.99, 3.76 A)
&rst
ixpk= 1498, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2244,2245,2246,2248,2249,2250,
&end
#
# 144 LEU MDY 145 VAL HN 4.50 (# 1499:15 Unique 3.50, 5.19 A)
&rst
ixpk= 1499, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 132 THR HN 146 ASN HN 5.50 (# 1500:15 Unique 3.51, 4.13 A)
&rst
ixpk= 1500, nxpk= 15, iat=2045,2254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1501 146 ASN HN 5.50 (# 1501:15 Single Ambig)
&rst
ixpk= 1501, nxpk= 15, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2238,2287,2219,
&end
#
# 131 LEU HA 146 ASN HN 5.50 (# 1502:15 Unique 2.44, 5.09 A)
&rst
ixpk= 1502, nxpk= 15, iat=2028,2254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ASN HA 146 ASN HN 4.50 (# 1503:15 Unique 2.82, 2.90 A)
&rst
ixpk= 1503, nxpk= 15, iat=2256,2254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1504 146 ASN HN 2.80 (# 1504:15 Single Ambig)
&rst
ixpk= 1504, nxpk= 15, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2240,2007,
&end
#
# 146 ASN HB+ 146 ASN HN 4.50 (# 1505:15 Unique 2.33, 2.70 A)
&rst
ixpk= 1505, nxpk= 15, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2258,2259,
&end
#
# 146 ASN HB- 146 ASN HN 4.50 (# 1506:15 Unique 2.33, 2.70 A)
&rst
ixpk= 1506, nxpk= 15, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2258,2259,
&end
#
# 145 VAL HB 146 ASN HN 5.50 (# 1507:15 Unique 3.88, 4.14 A)
&rst
ixpk= 1507, nxpk= 15, iat=2242,2254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1508 146 ASN HN 4.50 (# 1508:15 Single Ambig)
&rst
ixpk= 1508, nxpk= 15, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2051,2052,2053,2244,2245,2246,2248,2249,2250,
&end
#
# 145 VAL MGX 146 ASN HN 5.50 (# 1509:15 Unique 2.39, 4.22 A)
&rst
ixpk= 1509, nxpk= 15, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2244,2245,2246,2248,2249,2250,
&end
#
# 148 GLU HN 149 LYS HN 3.50 (# 1510:15 Unique 1.78, 2.93 A)
&rst
ixpk= 1510, nxpk= 15, iat=2287,2302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 LEU HN 149 LYS HN 5.50 (# 1511:15 Unique 3.95, 5.05 A)
&rst
ixpk= 1511, nxpk= 15, iat=2343,2302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU HN 149 LYS HN 2.80 (# 1512:15 Unique 1.82, 2.13 A)
&rst
ixpk= 1512, nxpk= 15, iat=2324,2302, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 149 LYS HA 149 LYS HN 3.50 (# 1513:15 Unique 2.92, 2.98 A)
&rst
ixpk= 1513, nxpk= 15, iat=2304,2302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1514 149 LYS HN 4.50 (# 1514:15 Single Ambig)
&rst
ixpk= 1514, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2289,2270,
&end
#
# 0 AMB 15-2:1515 149 LYS HN 5.50 (# 1515:15 Single Ambig)
&rst
ixpk= 1515, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2294,2295,2294,2295,
&end
#
# 0 AMB 15-2:1516 149 LYS HN 3.50 (# 1516:15 Single Ambig)
&rst
ixpk= 1516, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2291,2292,2291,2292,
&end
#
# 0 AMB 15-2:1517 149 LYS HN 3.50 (# 1517:15 Single Ambig)
&rst
ixpk= 1517, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2306,2307,2309,2310,
&end
#
# 149 LYS HB- 149 LYS HN 3.50 (# 1518:15 Unique 2.36, 2.97 A)
&rst
ixpk= 1518, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2306,2307,
&end
#
# 0 AMB 15-2:1519 149 LYS HN 5.50 (# 1519:15 Single Ambig)
&rst
ixpk= 1519, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1458,1459,1994,1995,2347,2348,2347,2348,
&end
#
# 149 LYS HG- 149 LYS HN 4.50 (# 1522:15 Unique 2.49, 4.04 A)
&rst
ixpk= 1522, nxpk= 15, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2309,2310,
&end
#
# 151 LEU HN 150 LEU HN 3.50 (# 1523:15 Unique 2.89, 3.39 A)
&rst
ixpk= 1523, nxpk= 15, iat=2343,2324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 149 LYS HN 150 LEU HN 3.50 (# 1524:15 Unique 1.82, 2.13 A)
&rst
ixpk= 1524, nxpk= 15, iat=2302,2324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 149 LYS HA 150 LEU HN 4.50 (# 1525:15 Unique 3.29, 3.44 A)
&rst
ixpk= 1525, nxpk= 15, iat=2304,2324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1526 150 LEU HN 4.50 (# 1526:15 Single Ambig)
&rst
ixpk= 1526, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2270,2289,
&end
#
# 150 LEU HA 150 LEU HN 4.50 (# 1527:15 Unique 2.20, 2.67 A)
&rst
ixpk= 1527, nxpk= 15, iat=2326,2324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 LYS HB+ 150 LEU HN 5.50 (# 1528:15 Unique 2.01, 3.62 A)
&rst
ixpk= 1528, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2306,2307,
&end
#
# 149 LYS HB- 150 LEU HN 5.50 (# 1529:15 Unique 2.01, 3.62 A)
&rst
ixpk= 1529, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2306,2307,
&end
#
# 0 AMB 15-2:1530 150 LEU HN 5.50 (# 1530:15 Single Ambig)
&rst
ixpk= 1530, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1458,1459,1458,1459,1997,1998,1997,1998,
&end
#
# 150 LEU HB+ 150 LEU HN 3.50 (# 1531:15 Unique 2.17, 2.48 A)
&rst
ixpk= 1531, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2328,2329,
&end
#
# 150 LEU HB- 150 LEU HN 2.80 (# 1532:15 Unique 2.17, 2.48 A)
&rst
ixpk= 1532, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2328,2329,
&end
#
# 150 LEU MDX 150 LEU HN 5.50 (# 1533:15 Unique 4.26, 5.17 A)
&rst
ixpk= 1533, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU MDY 150 LEU HN 5.50 (# 1534:15 Unique 4.26, 5.17 A)
&rst
ixpk= 1534, nxpk= 15, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 15-2:1536 151 LEU HN 3.50 (# 1536:15 Single Ambig)
&rst
ixpk= 1536, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2324,2371,2372,
&end
#
# 149 LYS HN 151 LEU HN 5.50 (# 1537:15 Unique 3.95, 5.05 A)
&rst
ixpk= 1537, nxpk= 15, iat=2302,2343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 LEU HA 151 LEU HN 3.50 (# 1538:15 Unique 2.76, 2.89 A)
&rst
ixpk= 1538, nxpk= 15, iat=2345,2343, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1539 151 LEU HN 5.50 (# 1539:15 Single Ambig)
&rst
ixpk= 1539, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2289,2270,
&end
#
# 150 LEU HA 151 LEU HN 5.50 (# 1540:15 Unique 3.52, 3.66 A)
&rst
ixpk= 1540, nxpk= 15, iat=2326,2343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1541 151 LEU HN 5.50 (# 1541:15 Single Ambig)
&rst
ixpk= 1541, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2306,2307,2309,2310,2272,
&end
#
# 0 AMB 15-2:1542 151 LEU HN 2.80 (# 1542:15 Single Ambig)
&rst
ixpk= 1542, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2347,2348,2347,2348,1458,1459,1458,1459,
&end
#
# 150 LEU HB+ 151 LEU HN 2.80 (# 1543:15 Unique 2.09, 3.10 A)
&rst
ixpk= 1543, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2328,2329,
&end
#
# 0 AMB 15-2:1544 151 LEU HN 2.80 (# 1544:15 Single Ambig)
&rst
ixpk= 1544, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2328,2329,2331,
&end
#
# 151 LEU MDY 151 LEU HN 4.50 (# 1545:15 Unique 2.10, 5.05 A)
&rst
ixpk= 1545, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2352,2353,2354,2356,2357,2358,
&end
#
# 150 LEU MDX 151 LEU HN 5.50 (# 1546:15 Unique 2.68, 4.63 A)
&rst
ixpk= 1546, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 152 ASN HA 154 GLU HN 5.50 (# 1547:15 Unique 3.98, 4.51 A)
&rst
ixpk= 1547, nxpk= 15, iat=2364,2387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 GLU HA 154 GLU HN 5.50 (# 1548:15 Unique 2.80, 2.94 A)
&rst
ixpk= 1548, nxpk= 15, iat=2389,2387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1549 154 GLU HN 5.50 (# 1549:15 Single Ambig)
&rst
ixpk= 1549, nxpk= 15, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2394,2395,2394,2395,
&end
#
# 0 AMB 15-2:1550 154 GLU HN 4.50 (# 1550:15 Single Ambig)
&rst
ixpk= 1550, nxpk= 15, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2391,2392,2391,2392,
&end
#
# 156 MET HN 155 GLU HN 4.50 (# 1551:15 Unique 2.56, 2.90 A)
&rst
ixpk= 1551, nxpk= 15, iat=2417,2402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 155 GLU HA 155 GLU HN 2.80 (# 1552:15 Unique 2.64, 2.77 A)
&rst
ixpk= 1552, nxpk= 15, iat=2404,2402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1553 155 GLU HN 3.50 (# 1553:15 Single Ambig)
&rst
ixpk= 1553, nxpk= 15, iat= -1,2402, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2409,2410,2409,2410,
&end
#
# 0 AMB 15-2:1554 155 GLU HN 2.80 (# 1554:15 Single Ambig)
&rst
ixpk= 1554, nxpk= 15, iat= -1,2402, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2406,2407,2406,2407,
&end
#
# 0 AMB 15-2:1555 155 GLU HN 3.50 (# 1555:15 Single Ambig)
&rst
ixpk= 1555, nxpk= 15, iat= -1,2402, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2391,2392,2391,2392,
&end
#
# 156 MET ME 155 GLU HN 3.50 (# 1556:15 Unique 3.14, 4.54 A)
&rst
ixpk= 1556, nxpk= 15, iat= -1,2402, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2428,2429,2430,
&end
#
# 156 MET HN 157 ALA HN 3.50 (# 1558:15 Unique 2.58, 2.74 A)
&rst
ixpk= 1558, nxpk= 15, iat=2417,2434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 LEU HN 157 ALA HN 3.50 (# 1559:15 Unique 2.07, 2.46 A)
&rst
ixpk= 1559, nxpk= 15, iat=2444,2434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 157 ALA HA 157 ALA HN 2.80 (# 1560:15 Unique 2.80, 2.86 A)
&rst
ixpk= 1560, nxpk= 15, iat=2436,2434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 154 GLU HA 157 ALA HN 3.50 (# 1561:15 Unique 2.97, 3.47 A)
&rst
ixpk= 1561, nxpk= 15, iat=2389,2434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1562 157 ALA HN 3.50 (# 1562:15 Single Ambig)
&rst
ixpk= 1562, nxpk= 15, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2421,2422,2421,2422,
&end
#
# 156 MET ME 157 ALA HN 5.50 (# 1563:15 Unique 1.86, 3.39 A)
&rst
ixpk= 1563, nxpk= 15, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2428,2429,2430,
&end
#
# 157 ALA MB 157 ALA HN 2.80 (# 1564:15 Unique 2.34, 2.91 A)
&rst
ixpk= 1564, nxpk= 15, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2438,2439,2440,
&end
#
# 0 AMB 15-2:1565 0 AMB 15-1:1565 3.50 (# 1565:15 Double Ambig)
&rst
ixpk= 1565, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,1229,1230,1231,1233,1234,1235,1229,1230,
1231,1233,1234,1235,
igr2=2444,1251,
&end
#
# 157 ALA MB 158 LEU HN 2.80 (# 1566:15 Unique 2.31, 3.36 A)
&rst
ixpk= 1566, nxpk= 15, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2438,2439,2440,
&end
#
# 0 AMB 15-2:1567 80 VAL HN 3.50 (# 1567:15 Single Ambig)
&rst
ixpk= 1567, nxpk= 15, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1114,1115,1114,1115,1255,
&end
#
# 0 AMB 15-2:1568 80 VAL HN 4.50 (# 1568:15 Single Ambig)
&rst
ixpk= 1568, nxpk= 15, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1117,1118,1117,1118,
&end
#
# 0 AMB 15-2:1570 158 LEU HN 2.80 (# 1570:15 Single Ambig)
&rst
ixpk= 1570, nxpk= 15, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2446,2436,
&end
#
# 157 ALA HN 158 LEU HN 3.50 (# 1571:15 Unique 2.07, 2.46 A)
&rst
ixpk= 1571, nxpk= 15, iat=2434,2444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HN 80 VAL HN 3.50 (# 1572:15 Unique 1.76, 3.11 A)
&rst
ixpk= 1572, nxpk= 15, iat=1239,1251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 160 ASP HN 159 LEU HN 3.50 (# 1573:15 Unique 2.44, 2.75 A)
&rst
ixpk= 1573, nxpk= 15, iat=2482,2463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 157 ALA HN 159 LEU HN 5.50 (# 1574:15 Unique 3.93, 4.24 A)
&rst
ixpk= 1574, nxpk= 15, iat=2434,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1575 159 LEU HN 3.50 (# 1575:15 Single Ambig)
&rst
ixpk= 1575, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2446,2436,
&end
#
# 0 AMB 15-2:1576 159 LEU HN 3.50 (# 1576:15 Single Ambig)
&rst
ixpk= 1576, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2404,2465,
&end
#
# 159 LEU HB+ 159 LEU HN 2.80 (# 1577:15 Unique 2.21, 2.99 A)
&rst
ixpk= 1577, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2467,2468,
&end
#
# 158 LEU HB+ 159 LEU HN 2.80 (# 1578:15 Unique 2.27, 3.06 A)
&rst
ixpk= 1578, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2448,2449,
&end
#
# 159 LEU HB- 159 LEU HN 2.80 (# 1579:15 Unique 2.21, 2.99 A)
&rst
ixpk= 1579, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2467,2468,
&end
#
# 0 AMB 15-2:1580 159 LEU HN 3.50 (# 1580:15 Single Ambig)
&rst
ixpk= 1580, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2472,2473,2474,2476,2477,2478,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 0 AMB 15-2:1581 159 LEU HN 4.50 (# 1581:15 Single Ambig)
&rst
ixpk= 1581, nxpk= 15, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2472,2473,2474,2476,2477,2478,2352,2353,2354,2356,
2357,2358,
&end
#
# 0 AMB 15-2:1582 160 ASP HN 2.80 (# 1582:15 Single Ambig)
&rst
ixpk= 1582, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2494,2505,
&end
#
# 159 LEU HN 160 ASP HN 2.80 (# 1583:15 Unique 2.44, 2.75 A)
&rst
ixpk= 1583, nxpk= 15, iat=2463,2482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 160 ASP HA 160 ASP HN 2.80 (# 1586:15 Unique 2.74, 2.82 A)
&rst
ixpk= 1586, nxpk= 15, iat=2484,2482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1587 160 ASP HN 5.50 (# 1587:15 Single Ambig)
&rst
ixpk= 1587, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2419,2496,
&end
#
# 0 AMB 15-2:1588 160 ASP HN 3.50 (# 1588:15 Single Ambig)
&rst
ixpk= 1588, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2436,2446,
&end
#
# 0 AMB 15-2:1589 160 ASP HN 3.50 (# 1589:15 Single Ambig)
&rst
ixpk= 1589, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2465,2404,
&end
#
# 0 AMB 15-2:1590 160 ASP HN 2.80 (# 1590:15 Single Ambig)
&rst
ixpk= 1590, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2486,2487,2486,2487,
&end
#
# 159 LEU HB+ 160 ASP HN 3.50 (# 1591:15 Unique 3.23, 4.19 A)
&rst
ixpk= 1591, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2467,2468,
&end
#
# 158 LEU HB+ 160 ASP HN 4.50 (# 1592:15 Unique 4.52, 5.29 A)
&rst
ixpk= 1592, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2448,2449,
&end
#
# 0 AMB 15-2:1593 160 ASP HN 3.50 (# 1593:15 Single Ambig)
&rst
ixpk= 1593, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2467,2468, 797, 798,
&end
#
# 0 AMB 15-2:1594 160 ASP HN 5.50 (# 1594:15 Single Ambig)
&rst
ixpk= 1594, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2448,2449,2509,2510,2511,2519,2520,2521,
&end
#
# 159 LEU MDX 160 ASP HN 5.50 (# 1595:15 Unique 2.28, 4.63 A)
&rst
ixpk= 1595, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU MDY 160 ASP HN 5.50 (# 1596:15 Unique 2.28, 4.63 A)
&rst
ixpk= 1596, nxpk= 15, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2472,2473,2474,2476,2477,2478,
&end
#
# 160 ASP HN 161 SER HN 3.50 (# 1597:15 Unique 2.59, 2.78 A)
&rst
ixpk= 1597, nxpk= 15, iat=2482,2494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 160 ASP HA 161 SER HN 4.50 (# 1599:15 Unique 3.48, 3.52 A)
&rst
ixpk= 1599, nxpk= 15, iat=2484,2494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 SER HA 161 SER HN 3.50 (# 1600:15 Unique 2.92, 2.98 A)
&rst
ixpk= 1600, nxpk= 15, iat=2496,2494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1601 161 SER HN 4.50 (# 1601:15 Single Ambig)
&rst
ixpk= 1601, nxpk= 15, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2446,2436,2507,
&end
#
# 0 AMB 15-2:1602 161 SER HN 2.80 (# 1602:15 Single Ambig)
&rst
ixpk= 1602, nxpk= 15, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2498,2499,2498,2499,
&end
#
# 0 AMB 15-2:1603 161 SER HN 3.50 (# 1603:15 Single Ambig)
&rst
ixpk= 1603, nxpk= 15, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2486,2487,2486,2487,
&end
#
# 0 AMB 15-2:1604 161 SER HN 4.50 (# 1604:15 Single Ambig)
&rst
ixpk= 1604, nxpk= 15, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 797, 798,2467,2468,2438,2439,2440,
&end
#
# 163 ALA MB 161 SER HN 5.50 (# 1605:15 Unique 4.97, 6.05 A)
&rst
ixpk= 1605, nxpk= 15, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2519,2520,2521,
&end
#
# 160 ASP HN 162 ALA HN 4.50 (# 1606:15 Unique 3.90, 4.09 A)
&rst
ixpk= 1606, nxpk= 15, iat=2482,2505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1607 162 ALA HN 4.50 (# 1607:15 Single Ambig)
&rst
ixpk= 1607, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2525,2463,2567,
&end
#
# 160 ASP HA 162 ALA HN 5.50 (# 1609:15 Unique 3.75, 4.47 A)
&rst
ixpk= 1609, nxpk= 15, iat=2484,2505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 SER HA 162 ALA HN 3.50 (# 1610:15 Unique 2.92, 3.31 A)
&rst
ixpk= 1610, nxpk= 15, iat=2496,2505, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1611 162 ALA HN 3.50 (# 1611:15 Single Ambig)
&rst
ixpk= 1611, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2507,2517,2446,
&end
#
# 159 LEU HA 162 ALA HN 5.50 (# 1612:15 Unique 2.51, 2.86 A)
&rst
ixpk= 1612, nxpk= 15, iat=2465,2505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1613 162 ALA HN 3.50 (# 1613:15 Single Ambig)
&rst
ixpk= 1613, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2498,2499,2498,2499,
&end
#
# 162 ALA MB 162 ALA HN 2.80 (# 1614:15 Unique 2.50, 3.25 A)
&rst
ixpk= 1614, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2509,2510,2511,
&end
#
# 0 AMB 15-2:1615 162 ALA HN 5.50 (# 1615:15 Single Ambig)
&rst
ixpk= 1615, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2557,2558,2559,2561,2562,2563,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 0 AMB 15-2:1616 162 ALA HN 5.50 (# 1616:15 Single Ambig)
&rst
ixpk= 1616, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 843, 844, 845,2472,2473,2474,2476,2477,2478, 749,
750, 751,
&end
#
# 55 ILE QD1 162 ALA HN 5.50 (# 1617:15 Unique 2.90, 4.68 A)
&rst
ixpk= 1617, nxpk= 15, iat= -1,2505, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 160 ASP HA 163 ALA HN 5.50 (# 1620:15 Unique 4.03, 4.74 A)
&rst
ixpk= 1620, nxpk= 15, iat=2484,2515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1621 163 ALA HN 5.50 (# 1621:15 Single Ambig)
&rst
ixpk= 1621, nxpk= 15, iat= -1,2515, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2496,2538,
&end
#
# 0 AMB 15-2:1622 163 ALA HN 2.80 (# 1622:15 Single Ambig)
&rst
ixpk= 1622, nxpk= 15, iat= -1,2515, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2507,2517,
&end
#
# 166 VAL HB 163 ALA HN 5.50 (# 1624:15 Unique 2.18, 4.45 A)
&rst
ixpk= 1624, nxpk= 15, iat=2555,2515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1625 163 ALA HN 2.80 (# 1625:15 Single Ambig)
&rst
ixpk= 1625, nxpk= 15, iat= -1,2515, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2519,2520,2521,2509,2510,2511,
&end
#
# 165 GLU HN 164 SER HN 3.50 (# 1626:15 Unique 2.66, 2.93 A)
&rst
ixpk= 1626, nxpk= 15, iat=2536,2525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 163 ALA HN 164 SER HN 2.80 (# 1627:15 Unique 1.95, 4.17 A)
&rst
ixpk= 1627, nxpk= 15, iat=2515,2525, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 164 SER HA 164 SER HN 3.50 (# 1629:15 Unique 2.21, 2.65 A)
&rst
ixpk= 1629, nxpk= 15, iat=2527,2525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 163 ALA HA 164 SER HN 3.50 (# 1630:15 Unique 2.13, 2.52 A)
&rst
ixpk= 1630, nxpk= 15, iat=2517,2525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1631 164 SER HN 3.50 (# 1631:15 Single Ambig)
&rst
ixpk= 1631, nxpk= 15, iat= -1,2525, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2529,2530,2529,2530,
&end
#
# 163 ALA MB 164 SER HN 3.50 (# 1632:15 Unique 2.20, 3.54 A)
&rst
ixpk= 1632, nxpk= 15, iat= -1,2525, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2519,2520,2521,
&end
#
# 166 VAL HN 165 GLU HN 3.50 (# 1633:15 Unique 1.80, 2.46 A)
&rst
ixpk= 1633, nxpk= 15, iat=2551,2536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 164 SER HA 165 GLU HN 3.50 (# 1636:15 Unique 2.56, 3.23 A)
&rst
ixpk= 1636, nxpk= 15, iat=2527,2536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 165 GLU HA 165 GLU HN 3.50 (# 1637:15 Unique 2.21, 2.81 A)
&rst
ixpk= 1637, nxpk= 15, iat=2538,2536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1638 165 GLU HN 5.50 (# 1638:15 Single Ambig)
&rst
ixpk= 1638, nxpk= 15, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2507,2517,
&end
#
# 0 AMB 15-2:1639 165 GLU HN 5.50 (# 1639:15 Single Ambig)
&rst
ixpk= 1639, nxpk= 15, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2529,2530,2529,2530,
&end
#
# 0 AMB 15-2:1640 165 GLU HN 4.50 (# 1640:15 Single Ambig)
&rst
ixpk= 1640, nxpk= 15, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2543,2544,2543,2544,
&end
#
# 165 GLU HB+ 165 GLU HN 4.50 (# 1641:15 Unique 2.41, 3.09 A)
&rst
ixpk= 1641, nxpk= 15, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2540,2541,
&end
#
# 165 GLU HB- 165 GLU HN 3.50 (# 1642:15 Unique 2.41, 3.09 A)
&rst
ixpk= 1642, nxpk= 15, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2540,2541,
&end
#
# 0 AMB 15-2:1643 167 ALA HN 5.50 (# 1643:15 Single Ambig)
&rst
ixpk= 1643, nxpk= 15, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2515,2505,
&end
#
# 164 SER HA 167 ALA HN 5.50 (# 1645:15 Unique 3.45, 4.07 A)
&rst
ixpk= 1645, nxpk= 15, iat=2527,2567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1646 167 ALA HN 5.50 (# 1646:15 Single Ambig)
&rst
ixpk= 1646, nxpk= 15, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2496,2538,
&end
#
# 0 AMB 15-2:1647 167 ALA HN 5.50 (# 1647:15 Single Ambig)
&rst
ixpk= 1647, nxpk= 15, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2507,2517,
&end
#
# 0 AMB 15-2:1648 167 ALA HN 3.50 (# 1648:15 Single Ambig)
&rst
ixpk= 1648, nxpk= 15, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2553,2569,
&end
#
# 166 VAL HB 167 ALA HN 5.50 (# 1649:15 Unique 2.53, 3.47 A)
&rst
ixpk= 1649, nxpk= 15, iat=2555,2567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 167 ALA MB 167 ALA HN 3.50 (# 1650:15 Unique 2.37, 2.97 A)
&rst
ixpk= 1650, nxpk= 15, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2571,2572,2573,
&end
#
# 166 VAL MGY 167 ALA HN 4.50 (# 1651:15 Unique 2.32, 4.50 A)
&rst
ixpk= 1651, nxpk= 15, iat= -1,2567, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2557,2558,2559,2561,2562,2563,
&end
#
# 165 GLU HN 166 VAL HN 2.80 (# 1652:15 Unique 1.80, 2.46 A)
&rst
ixpk= 1652, nxpk= 15, iat=2536,2551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 164 SER HA 166 VAL HN 5.50 (# 1654:15 Unique 3.54, 3.96 A)
&rst
ixpk= 1654, nxpk= 15, iat=2527,2551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLU HA 166 VAL HN 3.50 (# 1655:15 Unique 2.43, 2.82 A)
&rst
ixpk= 1655, nxpk= 15, iat=2538,2551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 166 VAL HA 166 VAL HN 3.50 (# 1656:15 Unique 2.17, 2.75 A)
&rst
ixpk= 1656, nxpk= 15, iat=2553,2551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1657 166 VAL HN 3.50 (# 1657:15 Single Ambig)
&rst
ixpk= 1657, nxpk= 15, iat= -1,2551, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2555,2540,2541,
&end
#
# 165 GLU HB- 166 VAL HN 5.50 (# 1658:15 Unique 3.47, 4.27 A)
&rst
ixpk= 1658, nxpk= 15, iat= -1,2551, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2540,2541,
&end
#
# 0 AMB 15-2:1659 166 VAL HN 3.50 (# 1659:15 Single Ambig)
&rst
ixpk= 1659, nxpk= 15, iat= -1,2551, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2557,2558,2559,2561,2562,2563, 742, 743, 744,
&end
#
# 92 ASN HB+ 92 ASN HD2+ 3.50 (# 1660:15 Unique 2.13, 3.35 A)
&rst
ixpk= 1660, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1444,1445,
igr2=1449,1450,
&end
#
# 0 AMB 15-2:1661 0 AMB 15-1:1661 3.50 (# 1661:15 Double Ambig)
&rst
ixpk= 1661, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1444,1445, 466, 467, 466, 467,
igr2=1449,1450, 238, 239, 238, 239,
&end
#
# 0 AMB 15-2:1663 0 AMB 15-1:1663 4.50 (# 1663:15 Double Ambig)
&rst
ixpk= 1663, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1803,1804,1805,1527,1528,1529,1531,1532,1533,1796,
1797,1798,
igr2= 238, 239,1449,1450, 238, 239,
&end
#
# 113 ALA HN 17 GLN HE2- 5.50 (# 1664:15 Unique 4.34, 6.07 A)
&rst
ixpk= 1664, nxpk= 15, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 238, 239,
&end
#
# 17 GLN HG+ 17 GLN HE2- 4.50 (# 1668:15 Unique 2.39, 3.52 A)
&rst
ixpk= 1668, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 233, 234,
igr2= 238, 239,
&end
#
# 17 GLN HG- 17 GLN HE2- 5.50 (# 1669:15 Unique 2.39, 3.52 A)
&rst
ixpk= 1669, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 233, 234,
igr2= 238, 239,
&end
#
# 116 ILE QD1 17 GLN HE2- 4.50 (# 1671:15 Unique 2.57, 4.85 A)
&rst
ixpk= 1671, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1803,1804,1805,
igr2= 238, 239,
&end
#
# 0 AMB 15-2:1672 0 AMB 15-1:1672 5.50 (# 1672:15 Double Ambig)
&rst
ixpk= 1672, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 201, 202, 554, 555, 230, 231,
igr2= 238, 239,1449,1450, 238, 239,
&end
#
# 17 GLN HB- 17 GLN HE2+ 5.50 (# 1673:15 Unique 2.29, 3.38 A)
&rst
ixpk= 1673, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 230, 231,
igr2= 238, 239,
&end
#
# 113 ALA MB 17 GLN HE2- 5.50 (# 1674:15 Unique 2.76, 6.55 A)
&rst
ixpk= 1674, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1752,1753,1754,
igr2= 238, 239,
&end
#
# 60 ASN HA 60 ASN HD2- 5.50 (# 1675:15 Unique 2.12, 4.21 A)
&rst
ixpk= 1675, nxpk= 15, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 924, 925,
&end
#
# 60 ASN HA 60 ASN HD2+ 4.50 (# 1676:15 Unique 2.12, 4.21 A)
&rst
ixpk= 1676, nxpk= 15, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 924, 925,
&end
#
# 92 ASN HB+ 92 ASN HD2- 4.50 (# 1677:15 Unique 2.13, 3.35 A)
&rst
ixpk= 1677, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1444,1445,
igr2=1449,1450,
&end
#
# 92 ASN HB- 92 ASN HD2- 4.50 (# 1678:15 Unique 2.13, 3.35 A)
&rst
ixpk= 1678, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1444,1445,
igr2=1449,1450,
&end
#
# 37 GLN HB+ 92 ASN HD2- 5.50 (# 1679:15 Unique 2.20, 5.57 A)
&rst
ixpk= 1679, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 554, 555,
igr2=1449,1450,
&end
#
# 0 AMB 15-2:1680 92 ASN HD2- 4.50 (# 1680:15 Single Ambig)
&rst
ixpk= 1680, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1527,1528,1529,1531,1532,1533,2281,2282,2283, 540,
541, 542, 544, 545, 546,
igr2=1449,1450,
&end
#
# 0 AMB 15-2:1681 0 AMB 15-1:1681 5.50 (# 1681:15 Double Ambig)
&rst
ixpk= 1681, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1527,1528,1529,1531,1532,1533,1430,1431,1432,1434,
1435,1436, 938, 939, 940, 942, 943, 944,
igr2=1449,1450, 924, 925,
&end
#
# 0 AMB 15-2:1682 0 AMB 15-1:1682 4.50 (# 1682:15 Double Ambig)
&rst
ixpk= 1682, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1738,2104,
igr2=1785,1786,1785,1786,
&end
#
# 0 AMB 15-2:1683 115 GLN HE2- 4.50 (# 1683:15 Single Ambig)
&rst
ixpk= 1683, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1738,2104,
igr2=1785,1786,
&end
#
# 115 GLN HA 115 GLN HE2- 5.50 (# 1684:15 Unique 3.70, 5.39 A)
&rst
ixpk= 1684, nxpk= 15, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 115 GLN HA 115 GLN HE2+ 5.50 (# 1685:15 Unique 3.70, 5.39 A)
&rst
ixpk= 1685, nxpk= 15, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 0 AMB 15-2:1686 0 AMB 15-1:1686 2.80 (# 1686:15 Double Ambig)
&rst
ixpk= 1686, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1780,1781,1777,1778,
igr2=1785,1786,1785,1786,
&end
#
# 115 GLN HG- 115 GLN HE2+ 3.50 (# 1687:15 Unique 2.23, 3.35 A)
&rst
ixpk= 1687, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1780,1781,
igr2=1785,1786,
&end
#
# 0 AMB 15-2:1688 115 GLN HE2- 3.50 (# 1688:15 Single Ambig)
&rst
ixpk= 1688, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1780,1781,1777,1778,
igr2=1785,1786,
&end
#
# 0 AMB 15-2:1689 115 GLN HE2- 4.50 (# 1689:15 Single Ambig)
&rst
ixpk= 1689, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1780,1781,1777,1778,
igr2=1785,1786,
&end
#
# 0 AMB 15-2:1690 0 AMB 15-1:1690 4.50 (# 1690:15 Double Ambig)
&rst
ixpk= 1690, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
igr2=1785,1786,1785,1786,
&end
#
# 111 LEU MDY 115 GLN HE2+ 5.50 (# 1691:15 Unique 2.76, 5.80 A)
&rst
ixpk= 1691, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1785,1786,
&end
#
# 0 AMB 15-2:1692 115 GLN HE2- 3.50 (# 1692:15 Single Ambig)
&rst
ixpk= 1692, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
igr2=1785,1786,
&end
#
# 111 LEU MDY 115 GLN HE2- 4.50 (# 1693:15 Unique 2.76, 5.80 A)
&rst
ixpk= 1693, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1785,1786,
&end
#
# 115 GLN HN 115 GLN HE2+ 5.50 (# 1694:15 Unique 3.45, 4.88 A)
&rst
ixpk= 1694, nxpk= 15, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 115 GLN HN 115 GLN HE2- 5.50 (# 1695:15 Unique 3.45, 4.88 A)
&rst
ixpk= 1695, nxpk= 15, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1785,1786,
&end
#
# 0 AMB 15-2:1698 0 AMB 15-1:1698 3.50 (# 1698:15 Double Ambig)
&rst
ixpk= 1698, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 557, 558, 557, 558,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 15-2:1699 0 AMB 15-1:1699 2.80 (# 1699:15 Double Ambig)
&rst
ixpk= 1699, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 571, 572, 571, 572,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 15-2:1700 0 AMB 15-1:1700 4.50 (# 1700:15 Double Ambig)
&rst
ixpk= 1700, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 554, 555, 574, 575, 574, 575,
igr2= 562, 563, 562, 563, 562, 563,
&end
#
# 97 VAL MGX 37 GLN HE2+ 5.50 (# 1701:15 Unique 2.35, 5.86 A)
&rst
ixpk= 1701, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1527,1528,1529,1531,1532,1533,
igr2= 562, 563,
&end
#
# 0 AMB 15-2:1702 0 AMB 15-1:1702 3.50 (# 1702:15 Double Ambig)
&rst
ixpk= 1702, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 938, 939, 940, 942, 943, 944,1527,1528,1529,1531,
1532,1533,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 15-2:1703 0 AMB 15-1:1703 4.50 (# 1703:15 Double Ambig)
&rst
ixpk= 1703, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 562, 563, 562, 563,
&end
#
# 0 AMB 15-2:1704 37 GLN HE2- 3.50 (# 1704:15 Single Ambig)
&rst
ixpk= 1704, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 557, 558, 557, 558,
igr2= 562, 563,
&end
#
# 0 AMB 15-2:1705 37 GLN HE2- 3.50 (# 1705:15 Single Ambig)
&rst
ixpk= 1705, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 571, 572, 571, 572,
igr2= 562, 563,
&end
#
# 0 AMB 15-2:1706 37 GLN HE2- 5.50 (# 1706:15 Single Ambig)
&rst
ixpk= 1706, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 554, 555,1409,
igr2= 562, 563,
&end
#
# 0 AMB 15-2:1707 37 GLN HE2- 5.50 (# 1707:15 Single Ambig)
&rst
ixpk= 1707, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 574, 575, 574, 575,
igr2= 562, 563,
&end
#
# 97 VAL MGX 37 GLN HE2- 5.50 (# 1708:15 Unique 2.35, 5.86 A)
&rst
ixpk= 1708, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1527,1528,1529,1531,1532,1533,
igr2= 562, 563,
&end
#
# 0 AMB 15-2:1709 37 GLN HE2- 3.50 (# 1709:15 Single Ambig)
&rst
ixpk= 1709, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 938, 939, 940, 942, 943, 944,1527,1528,1529,1531,
1532,1533,
igr2= 562, 563,
&end
#
# 0 AMB 15-2:1710 37 GLN HE2- 4.50 (# 1710:15 Single Ambig)
&rst
ixpk= 1710, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 562, 563,
&end
#
# 152 ASN HA 152 ASN HD2+ 4.50 (# 1711:15 Unique 3.99, 4.51 A)
&rst
ixpk= 1711, nxpk= 15, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2371,2372,
&end
#
# 0 AMB 15-2:1712 0 AMB 15-1:1712 3.50 (# 1712:15 Double Ambig)
&rst
ixpk= 1712, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2366,2367,1507,1508,1507,1508,
igr2=2371,2372,2371,2372,2371,2372,
&end
#
# 152 ASN HB- 152 ASN HD2+ 3.50 (# 1713:15 Unique 2.23, 3.36 A)
&rst
ixpk= 1713, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2366,2367,
igr2=2371,2372,
&end
#
# 152 ASN HA 152 ASN HD2- 4.50 (# 1714:15 Unique 3.99, 4.51 A)
&rst
ixpk= 1714, nxpk= 15, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2371,2372,
&end
#
# 0 AMB 15-2:1715 152 ASN HD2- 4.50 (# 1715:15 Single Ambig)
&rst
ixpk= 1715, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2366,2367,1507,1508,1507,1508,
igr2=2371,2372,
&end
#
# 152 ASN HB- 152 ASN HD2- 3.50 (# 1716:15 Unique 2.23, 3.36 A)
&rst
ixpk= 1716, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2366,2367,
igr2=2371,2372,
&end
#
# 0 AMB 15-2:1717 152 ASN HD2- 5.50 (# 1717:15 Single Ambig)
&rst
ixpk= 1717, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2294,2295,2294,2295,
igr2=2371,2372,
&end
#
# 0 AMB 15-2:1718 152 ASN HD2- 5.50 (# 1718:15 Single Ambig)
&rst
ixpk= 1718, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1484,1485,2406,2407,2406,2407,
igr2=2371,2372,
&end
#
# 0 AMB 15-2:1719 152 ASN HD2- 5.50 (# 1719:15 Single Ambig)
&rst
ixpk= 1719, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2291,2292,2291,2292,
igr2=2371,2372,
&end
#
# 146 ASN HA 146 ASN HD2+ 5.50 (# 1720:15 Unique 3.61, 4.45 A)
&rst
ixpk= 1720, nxpk= 15, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2263,2264,
&end
#
# 146 ASN HA 146 ASN HD2- 5.50 (# 1722:15 Unique 3.61, 4.45 A)
&rst
ixpk= 1722, nxpk= 15, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2263,2264,
&end
#
# 146 ASN HB+ 146 ASN HD2- 4.50 (# 1724:15 Unique 2.21, 3.24 A)
&rst
ixpk= 1724, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2258,2259,
igr2=2263,2264,
&end
#
# 146 ASN HB+ 146 ASN HD2+ 4.50 (# 1725:15 Unique 2.21, 3.24 A)
&rst
ixpk= 1725, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2258,2259,
igr2=2263,2264,
&end
#
# 146 ASN HB- 146 ASN HD2+ 4.50 (# 1726:15 Unique 2.21, 3.24 A)
&rst
ixpk= 1726, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2258,2259,
igr2=2263,2264,
&end
#
# 146 ASN HB- 146 ASN HD2- 4.50 (# 1727:15 Unique 2.21, 3.24 A)
&rst
ixpk= 1727, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2258,2259,
igr2=2263,2264,
&end
#
# 0 AMB 15-2:1728 146 ASN HD2- 5.50 (# 1728:15 Single Ambig)
&rst
ixpk= 1728, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1994,1995,1997,1998,1997,1998,
igr2=2263,2264,
&end
#
# 0 AMB 15-2:1729 0 AMB 15-1:1729 5.50 (# 1729:15 Double Ambig)
&rst
ixpk= 1729, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1994,1995,1997,1998,1997,1998,
igr2=2263,2264,2263,2264,2263,2264,
&end
#
# 0 AMB 15-2:1732 146 ASN HD2- 5.50 (# 1732:15 Single Ambig)
&rst
ixpk= 1732, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1994,1995,2328,2329,
igr2=2263,2264,
&end
#
# 25 GLY HN 77 GLN HE2- 5.50 (# 1733:15 Unique 2.51, 4.55 A)
&rst
ixpk= 1733, nxpk= 15, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1218,1219,
&end
#
# 24 LEU HA 77 GLN HE2+ 4.50 (# 1734:15 Unique 3.33, 5.02 A)
&rst
ixpk= 1734, nxpk= 15, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1218,1219,
&end
#
# 77 GLN HA 77 GLN HE2+ 5.50 (# 1736:15 Unique 3.79, 5.18 A)
&rst
ixpk= 1736, nxpk= 15, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1218,1219,
&end
#
# 0 AMB 15-2:1737 77 GLN HE2- 5.50 (# 1737:15 Single Ambig)
&rst
ixpk= 1737, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1208,1197,
igr2=1218,1219,
&end
#
# 0 AMB 15-2:1738 77 GLN HE2- 5.50 (# 1738:15 Single Ambig)
&rst
ixpk= 1738, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 368, 369,1253,
igr2=1218,1219,
&end
#
# 0 AMB 15-2:1739 0 AMB 15-1:1739 5.50 (# 1739:15 Double Ambig)
&rst
ixpk= 1739, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 368, 369,1253,
igr2=1218,1219,1218,1219,
&end
#
# 0 AMB 15-2:1740 0 AMB 15-1:1740 2.80 (# 1740:15 Double Ambig)
&rst
ixpk= 1740, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1213,1214,1213,1214,
igr2=1218,1219,1218,1219,
&end
#
# 77 GLN HB+ 77 GLN HE2+ 5.50 (# 1741:15 Unique 2.62, 4.57 A)
&rst
ixpk= 1741, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1210,1211,
igr2=1218,1219,
&end
#
# 0 AMB 15-2:1742 0 AMB 15-1:1742 5.50 (# 1742:15 Double Ambig)
&rst
ixpk= 1742, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1210,1211,1117,1118,
igr2=1218,1219,1218,1219,
&end
#
# 0 AMB 15-2:1743 77 GLN HE2- 3.50 (# 1743:15 Single Ambig)
&rst
ixpk= 1743, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1213,1214,1213,1214,
igr2=1218,1219,
&end
#
# 0 AMB 15-2:1744 77 GLN HE2- 5.50 (# 1744:15 Single Ambig)
&rst
ixpk= 1744, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1210,1211,1117,1118,
igr2=1218,1219,
&end
#
# 0 AMB 15-2:1745 0 AMB 15-1:1745 5.50 (# 1745:15 Double Ambig)
&rst
ixpk= 1745, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
igr2=1218,1219,1218,1219,
&end
#
# 0 AMB 15-2:1750 0 AMB 15-1:1750 4.50 (# 1750:15 Double Ambig)
&rst
ixpk= 1750, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1487,1488,1487,1488,
igr2=1492,1493,1492,1493,
&end
#
# 0 AMB 15-2:1751 95 GLN HE2- 5.50 (# 1751:15 Single Ambig)
&rst
ixpk= 1751, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1487,1488,1487,1488,
igr2=1492,1493,
&end
#
# 95 GLN HB+ 95 GLN HE2+ 5.50 (# 1752:15 Unique 2.26, 3.89 A)
&rst
ixpk= 1752, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1484,1485,
igr2=1492,1493,
&end
#
# 95 GLN HB- 95 GLN HE2+ 5.50 (# 1753:15 Unique 2.26, 3.89 A)
&rst
ixpk= 1753, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1484,1485,
igr2=1492,1493,
&end
#
# 0 AMB 15-2:1754 0 AMB 15-1:1754 5.50 (# 1754:15 Double Ambig)
&rst
ixpk= 1754, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1504,1505,1504,1505,
igr2=1492,1493,1492,1493,
&end
#
# 0 AMB 15-2:1756 0 AMB 15-1:1756 3.50 (# 1756:15 Double Ambig)
&rst
ixpk= 1756, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 903,1372,
igr2= 677, 678, 677, 678,
&end
#
# 0 AMB 15-2:1757 44 GLN HE2- 4.50 (# 1757:15 Single Ambig)
&rst
ixpk= 1757, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 903,1372,
igr2= 677, 678,
&end
#
# 44 GLN HG- 44 GLN HE2+ 4.50 (# 1758:15 Unique 2.19, 3.35 A)
&rst
ixpk= 1758, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 672, 673,
igr2= 677, 678,
&end
#
# 44 GLN HG- 44 GLN HE2- 5.50 (# 1759:15 Unique 2.19, 3.35 A)
&rst
ixpk= 1759, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 672, 673,
igr2= 677, 678,
&end
#
# 85 ASN HN 85 ASN HD2+ 4.50 (# 1760:15 Unique 3.69, 4.86 A)
&rst
ixpk= 1760, nxpk= 15, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1335,1336,
&end
#
# 85 ASN HN 85 ASN HD2- 5.50 (# 1761:15 Unique 3.69, 4.86 A)
&rst
ixpk= 1761, nxpk= 15, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1335,1336,
&end
#
# 86 THR HN 85 ASN HD2+ 5.50 (# 1762:15 Unique 3.82, 5.18 A)
&rst
ixpk= 1762, nxpk= 15, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1335,1336,
&end
#
# 86 THR HN 85 ASN HD2- 5.50 (# 1763:15 Unique 3.82, 5.18 A)
&rst
ixpk= 1763, nxpk= 15, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1335,1336,
&end
#
# 0 AMB 15-2:1764 0 AMB 15-1:1764 4.50 (# 1764:15 Double Ambig)
&rst
ixpk= 1764, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1328,1613,1372,
igr2=1335,1336,1335,1336,1335,1336,
&end
#
# 0 AMB 15-2:1765 85 ASN HD2- 4.50 (# 1765:15 Single Ambig)
&rst
ixpk= 1765, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1328,1372,
igr2=1335,1336,
&end
#
# 85 ASN HB+ 85 ASN HD2- 4.50 (# 1766:15 Unique 2.47, 3.53 A)
&rst
ixpk= 1766, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1330,1331,
igr2=1335,1336,
&end
#
# 0 AMB 15-2:1767 85 ASN HD2- 3.50 (# 1767:15 Single Ambig)
&rst
ixpk= 1767, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1330,1331,1318,1319,
igr2=1335,1336,
&end
#
# 85 ASN HB+ 85 ASN HD2+ 3.50 (# 1768:15 Unique 2.47, 3.53 A)
&rst
ixpk= 1768, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1330,1331,
igr2=1335,1336,
&end
#
# 0 AMB 15-2:1769 0 AMB 15-1:1769 3.50 (# 1769:15 Double Ambig)
&rst
ixpk= 1769, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1330,1331,1318,1319,
igr2=1335,1336,1335,1336,
&end
#
# 50 ASN HN 50 ASN HD2- 5.50 (# 1770:15 Unique 2.24, 3.84 A)
&rst
ixpk= 1770, nxpk= 15, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 774, 775,
&end
#
# 50 ASN HA 50 ASN HD2+ 5.50 (# 1772:15 Unique 2.47, 4.37 A)
&rst
ixpk= 1772, nxpk= 15, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 774, 775,
&end
#
# 50 ASN HA 50 ASN HD2- 5.50 (# 1774:15 Unique 2.47, 4.37 A)
&rst
ixpk= 1774, nxpk= 15, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 774, 775,
&end
#
# 50 ASN HB+ 50 ASN HD2+ 2.80 (# 1775:15 Unique 2.25, 3.37 A)
&rst
ixpk= 1775, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 769, 770,
igr2= 774, 775,
&end
#
# 50 ASN HB- 50 ASN HD2+ 2.80 (# 1776:15 Unique 2.25, 3.37 A)
&rst
ixpk= 1776, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 769, 770,
igr2= 774, 775,
&end
#
# 50 ASN HB+ 50 ASN HD2- 3.50 (# 1777:15 Unique 2.25, 3.37 A)
&rst
ixpk= 1777, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 769, 770,
igr2= 774, 775,
&end
#
# 50 ASN HB- 50 ASN HD2- 2.80 (# 1778:15 Unique 2.25, 3.37 A)
&rst
ixpk= 1778, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 769, 770,
igr2= 774, 775,
&end
#
# 49 ALA MB 50 ASN HD2+ 4.50 (# 1779:15 Unique 2.81, 4.98 A)
&rst
ixpk= 1779, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 759, 760, 761,
igr2= 774, 775,
&end
#
# 49 ALA MB 50 ASN HD2- 3.50 (# 1780:15 Unique 2.81, 4.98 A)
&rst
ixpk= 1780, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 759, 760, 761,
igr2= 774, 775,
&end
#
# 83 ASN HN 83 ASN HD2+ 5.50 (# 1781:15 Unique 2.94, 3.99 A)
&rst
ixpk= 1781, nxpk= 15, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 83 ASN HN 83 ASN HD2- 5.50 (# 1782:15 Unique 2.94, 3.99 A)
&rst
ixpk= 1782, nxpk= 15, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 84 ASP HN 83 ASN HD2- 5.50 (# 1783:15 Unique 2.36, 4.54 A)
&rst
ixpk= 1783, nxpk= 15, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 84 ASP HN 83 ASN HD2+ 5.50 (# 1784:15 Unique 2.36, 4.54 A)
&rst
ixpk= 1784, nxpk= 15, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 83 ASN HA 83 ASN HD2- 5.50 (# 1785:15 Unique 3.64, 4.42 A)
&rst
ixpk= 1785, nxpk= 15, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 83 ASN HA 83 ASN HD2+ 5.50 (# 1786:15 Unique 3.64, 4.42 A)
&rst
ixpk= 1786, nxpk= 15, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 83 ASN HB+ 83 ASN HD2- 3.50 (# 1789:15 Unique 2.21, 3.36 A)
&rst
ixpk= 1789, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1304,1305,
igr2=1309,1310,
&end
#
# 83 ASN HB+ 83 ASN HD2+ 3.50 (# 1790:15 Unique 2.21, 3.36 A)
&rst
ixpk= 1790, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1304,1305,
igr2=1309,1310,
&end
#
# 83 ASN HB- 83 ASN HD2+ 2.80 (# 1791:15 Unique 2.21, 3.36 A)
&rst
ixpk= 1791, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1304,1305,
igr2=1309,1310,
&end
#
# 83 ASN HB- 83 ASN HD2- 2.80 (# 1792:15 Unique 2.21, 3.36 A)
&rst
ixpk= 1792, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1304,1305,
igr2=1309,1310,
&end
#
# 0 AMB 15-2:1793 0 AMB 15-1:1793 4.50 (# 1793:15 Double Ambig)
&rst
ixpk= 1793, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1271,1272,1271,1272,
igr2=1309,1310,1309,1310,
&end
#
# 0 AMB 15-2:1794 83 ASN HD2- 3.50 (# 1794:15 Single Ambig)
&rst
ixpk= 1794, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1271,1272,1271,1272,
igr2=1309,1310,
&end
#
# 0 AMB 15-2:1801 17 GLN HE2- 5.50 (# 1801:15 Single Ambig)
&rst
ixpk= 1801, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1750, 464,
igr2= 238, 239,
&end
#
# 0 AMB 15-2:1802 0 AMB 15-1:1802 5.50 (# 1802:15 Double Ambig)
&rst
ixpk= 1802, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1750, 464,
igr2= 238, 239, 238, 239,
&end
#
# 140 ARG HD+ 140 ARG HE 4.50 (# 1819:15 Unique 2.26, 2.72 A)
&rst
ixpk= 1819, nxpk= 15, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2150,2151,
&end
#
# 140 ARG HD- 140 ARG HE 4.50 (# 1820:15 Unique 2.26, 2.72 A)
&rst
ixpk= 1820, nxpk= 15, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2150,2151,
&end
#
# 140 ARG HB+ 140 ARG HE 5.50 (# 1821:15 Unique 2.30, 4.01 A)
&rst
ixpk= 1821, nxpk= 15, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2144,2145,
&end
#
# 140 ARG HG+ 140 ARG HE 3.50 (# 1822:15 Unique 2.37, 3.06 A)
&rst
ixpk= 1822, nxpk= 15, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2147,2148,
&end
#
# 140 ARG HG- 140 ARG HE 4.50 (# 1823:15 Unique 2.37, 3.06 A)
&rst
ixpk= 1823, nxpk= 15, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2147,2148,
&end
#
# 0 AMB 15-2:1824 140 ARG HE 5.50 (# 1824:15 Single Ambig)
&rst
ixpk= 1824, nxpk= 15, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700, 303, 304, 305, 307, 308, 309, 303, 304,
305, 307, 308, 309,
&end
#
# 0 AMB 15-2:1831 9 LYS HN 5.50 (# 1831:15 Single Ambig)
&rst
ixpk= 1831, nxpk= 15, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 105, 89,
&end
#
# 0 AMB 15-2:1832 9 LYS HN 3.50 (# 1832:15 Single Ambig)
&rst
ixpk= 1832, nxpk= 15, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 107, 119, 63,
&end
#
# 0 AMB 15-2:1833 10 LEU HN 5.50 (# 1833:15 Single Ambig)
&rst
ixpk= 1833, nxpk= 15, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 124, 125, 124, 125,
&end
#
# 0 AMB 15-2:1834 11 ALA HN 3.50 (# 1834:15 Single Ambig)
&rst
ixpk= 1834, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 127, 128, 127, 128,
&end
#
# 10 LEU MDY 11 ALA HN 5.50 (# 1835:15 Unique 2.35, 5.20 A)
&rst
ixpk= 1835, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 148, 149, 150, 152, 153, 154,
&end
#
# 9 LYS HB+ 11 ALA HN 5.50 (# 1836:15 Unique 2.64, 4.50 A)
&rst
ixpk= 1836, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 121, 122,
&end
#
# 13 GLU HA 11 ALA HN 5.50 (# 1838:15 Unique 4.81, 6.28 A)
&rst
ixpk= 1838, nxpk= 15, iat= 181, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU MDX 11 ALA HN 5.50 (# 1840:15 Unique 2.35, 5.20 A)
&rst
ixpk= 1840, nxpk= 15, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 148, 149, 150, 152, 153, 154,
&end
#
# 14 PRO HD- 15 SER HN 5.50 (# 1841:15 Unique 3.04, 5.09 A)
&rst
ixpk= 1841, nxpk= 15, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 196,
&end
#
# 0 AMB 15-2:1842 22 PHE HN 5.50 (# 1842:15 Single Ambig)
&rst
ixpk= 1842, nxpk= 15, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1636,1637,1638,1640,1641,1642, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,2244,2245,
2246,2248,2249,2250,
&end
#
# 31 ILE HG1+ 32 ASP HN 5.50 (# 1843:15 Unique 4.46, 4.99 A)
&rst
ixpk= 1843, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 453, 454,
&end
#
# 0 AMB 15-2:1844 35 LYS HN 3.50 (# 1844:15 Single Ambig)
&rst
ixpk= 1844, nxpk= 15, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 540, 541, 542, 544, 545, 546, 480, 481, 482,
&end
#
# 0 AMB 15-2:1845 39 ILE HN 2.80 (# 1845:15 Single Ambig)
&rst
ixpk= 1845, nxpk= 15, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 574, 575, 574, 575,
&end
#
# 0 AMB 15-2:1846 39 ILE HN 2.80 (# 1846:15 Single Ambig)
&rst
ixpk= 1846, nxpk= 15, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 571, 572, 571, 572,
&end
#
# 88 VAL MGX 40 ARG HN 5.50 (# 1847:15 Unique 2.71, 5.29 A)
&rst
ixpk= 1847, nxpk= 15, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 15-2:1848 41 GLY HN 5.50 (# 1848:15 Single Ambig)
&rst
ixpk= 1848, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 611, 612, 611, 612,
&end
#
# 44 GLN HG+ 45 VAL HN 5.50 (# 1849:15 Unique 2.59, 4.53 A)
&rst
ixpk= 1849, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 672, 673,
&end
#
# 44 GLN HG- 45 VAL HN 5.50 (# 1850:15 Unique 2.59, 4.53 A)
&rst
ixpk= 1850, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 672, 673,
&end
#
# 47 ARG HA 48 ILE HN 2.80 (# 1851:15 Unique 2.15, 2.36 A)
&rst
ixpk= 1851, nxpk= 15, iat= 714, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 ALA MB 53 ALA HN 5.50 (# 1852:15 Unique 2.40, 2.92 A)
&rst
ixpk= 1852, nxpk= 15, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 811, 812, 813,
&end
#
# 52 PRO HA 53 ALA HN 3.50 (# 1854:15 Unique 2.27, 2.46 A)
&rst
ixpk= 1854, nxpk= 15, iat= 803, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 ALA HA 56 LYS HN 5.50 (# 1855:15 Unique 4.80, 6.36 A)
&rst
ixpk= 1855, nxpk= 15, iat= 809, 856, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB+ 61 LEU HN 5.50 (# 1856:15 Unique 4.19, 4.48 A)
&rst
ixpk= 1856, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 919, 920,
&end
#
# 60 ASN HB- 61 LEU HN 5.50 (# 1857:15 Unique 4.19, 4.48 A)
&rst
ixpk= 1857, nxpk= 15, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 919, 920,
&end
#
# 61 LEU HB- 62 ARG HN 5.50 (# 1858:15 Unique 2.29, 4.08 A)
&rst
ixpk= 1858, nxpk= 15, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 933, 934,
&end
#
# 64 VAL HB 65 ILE HN 3.50 (# 1861:15 Unique 2.12, 2.49 A)
&rst
ixpk= 1861, nxpk= 15, iat= 983, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 TYR HB- 131 LEU HN 5.50 (# 1862:15 Unique 2.46, 4.16 A)
&rst
ixpk= 1862, nxpk= 15, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2009,2010,
&end
#
# 0 AMB 15-2:1864 78 VAL HN 5.50 (# 1864:15 Single Ambig)
&rst
ixpk= 1864, nxpk= 15, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1210,1211,1117,1118,
&end
#
# 89 ILE QD1 89 ILE HN 5.50 (# 1865:15 Unique 4.01, 4.80 A)
&rst
ixpk= 1865, nxpk= 15, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1399,1400,1401,
&end
#
# 90 VAL HB 91 LEU HN 5.50 (# 1866:15 Unique 3.88, 4.03 A)
&rst
ixpk= 1866, nxpk= 15, iat=1409,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ARG HA 95 GLN HN 5.50 (# 1868:15 Unique 4.53, 4.74 A)
&rst
ixpk= 1868, nxpk= 15, iat=1499,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 GLN HA 95 GLN HN 5.50 (# 1869:15 Unique 2.16, 2.86 A)
&rst
ixpk= 1869, nxpk= 15, iat=1482,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1870 95 GLN HN 5.50 (# 1870:15 Single Ambig)
&rst
ixpk= 1870, nxpk= 15, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1458,1459,2347,2348,2347,2348, 522, 523,
&end
#
# 0 AMB 15-2:1871 95 GLN HN 5.50 (# 1871:15 Single Ambig)
&rst
ixpk= 1871, nxpk= 15, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1504,1505,1504,1505,
&end
#
# 95 GLN HB+ 95 GLN HN 5.50 (# 1872:15 Unique 2.70, 3.37 A)
&rst
ixpk= 1872, nxpk= 15, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1485,
&end
#
# 95 GLN HB- 95 GLN HN 5.50 (# 1873:15 Unique 2.70, 3.37 A)
&rst
ixpk= 1873, nxpk= 15, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1485,
&end
#
# 0 AMB 15-2:1874 96 ARG HN 5.50 (# 1874:15 Single Ambig)
&rst
ixpk= 1874, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1487,1488,1487,1488,
&end
#
# 0 AMB 15-2:1875 98 VAL HN 5.50 (# 1875:15 Single Ambig)
&rst
ixpk= 1875, nxpk= 15, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1504,1505,1504,1505,2328,2329,
&end
#
# 91 LEU HB- 98 VAL HN 5.50 (# 1876:15 Unique 3.22, 4.21 A)
&rst
ixpk= 1876, nxpk= 15, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1425,1426,
&end
#
# 19 PHE HD 109 LEU HN 5.50 (# 1877:15 Unique 4.01, 5.81 A)
&rst
ixpk= 1877, nxpk= 15, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 266, 274,
&end
#
# 109 LEU HB+ 110 SER HN 2.80 (# 1878:15 Unique 2.12, 2.91 A)
&rst
ixpk= 1878, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1689,1690,
&end
#
# 110 SER HB- 110 SER HN 2.80 (# 1879:15 Unique 2.56, 3.29 A)
&rst
ixpk= 1879, nxpk= 15, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1708,1709,
&end
#
# 110 SER HB+ 111 LEU HN 3.50 (# 1880:15 Unique 2.77, 3.39 A)
&rst
ixpk= 1880, nxpk= 15, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1708,1709,
&end
#
# 16 GLY HA+ 112 THR HN 5.50 (# 1881:15 Unique 4.19, 5.25 A)
&rst
ixpk= 1881, nxpk= 15, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 221, 222,
&end
#
# 120 PRO HG- 121 GLU HN 5.50 (# 1882:15 Unique 2.30, 4.81 A)
&rst
ixpk= 1882, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1861,1862,
&end
#
# 120 PRO HD+ 121 GLU HN 5.50 (# 1883:15 Unique 2.76, 5.23 A)
&rst
ixpk= 1883, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 120 PRO HD- 121 GLU HN 5.50 (# 1884:15 Unique 2.76, 5.23 A)
&rst
ixpk= 1884, nxpk= 15, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 128 THR HB 129 GLU HN 4.50 (# 1885:15 Unique 2.95, 4.15 A)
&rst
ixpk= 1885, nxpk= 15, iat=1980,1990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 THR HB 133 GLY HN 4.50 (# 1886:15 Unique 1.83, 2.91 A)
&rst
ixpk= 1886, nxpk= 15, iat=2049,2059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 LEU HB- 133 GLY HN 3.50 (# 1887:15 Unique 2.99, 3.70 A)
&rst
ixpk= 1887, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2223,2224,
&end
#
# 143 ILE QG2 133 GLY HN 5.50 (# 1888:15 Unique 3.95, 4.83 A)
&rst
ixpk= 1888, nxpk= 15, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2206,2207,2208,
&end
#
# 137 LEU HG 137 LEU HN 5.50 (# 1889:15 Unique 3.41, 3.67 A)
&rst
ixpk= 1889, nxpk= 15, iat=2109,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1890 143 ILE HN 5.50 (# 1890:15 Single Ambig)
&rst
ixpk= 1890, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2188,2226,
&end
#
# 143 ILE HA 143 ILE HN 5.50 (# 1891:15 Unique 2.93, 2.96 A)
&rst
ixpk= 1891, nxpk= 15, iat=2202,2200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 LEU MDX 145 VAL HN 5.50 (# 1892:15 Unique 3.50, 5.19 A)
&rst
ixpk= 1892, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 15-2:1893 151 LEU HN 3.50 (# 1893:15 Single Ambig)
&rst
ixpk= 1893, nxpk= 15, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,2352,2353,2354,2356,2357,2358,
&end
#
# 92 ASN HN 92 ASN HD2+ 5.50 (# 1895:15 Unique 2.47, 3.65 A)
&rst
ixpk= 1895, nxpk= 15, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1449,1450,
&end
#
# 17 GLN HG+ 17 GLN HE2+ 4.50 (# 1896:15 Unique 2.39, 3.52 A)
&rst
ixpk= 1896, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 233, 234,
igr2= 238, 239,
&end
#
# 17 GLN HG- 17 GLN HE2+ 4.50 (# 1897:15 Unique 2.39, 3.52 A)
&rst
ixpk= 1897, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 233, 234,
igr2= 238, 239,
&end
#
# 0 AMB 15-2:1898 0 AMB 15-1:1898 4.50 (# 1898:15 Double Ambig)
&rst
ixpk= 1898, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07,
igr1=1527,1528,1529,1531,1532,1533,2281,2282,2283, 540,
541, 542, 544, 545, 546, 985, 986, 987, 989, 990,
991,
igr2=1449,1450,1449,1450,1449,1450, 924, 925,
&end
#
# 132 THR HN 131 LEU HN 5.50 (# 1899:15 Unique 3.66, 4.30 A)
&rst
ixpk= 1899, nxpk= 15, iat=2045,2026, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TYR HD 131 LEU HN 5.50 (# 1900:15 Unique 3.86, 5.28 A)
&rst
ixpk= 1900, nxpk= 15, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2013,2022,
&end
#
# 0 AMB 15-2:1901 58 VAL HN 5.50 (# 1901:15 Single Ambig)
&rst
ixpk= 1901, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 746, 747, 704, 705, 706,
&end
#
# 45 VAL MGX 58 VAL HN 5.50 (# 1902:15 Unique 2.88, 5.52 A)
&rst
ixpk= 1902, nxpk= 15, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 145 VAL HA 133 GLY HN 4.50 (# 1903:15 Unique 3.85, 4.33 A)
&rst
ixpk= 1903, nxpk= 15, iat=2240,2059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 ILE HA 135 GLY HN 5.50 (# 1904:15 Unique 3.64, 3.77 A)
&rst
ixpk= 1904, nxpk= 15, iat=2202,2085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLY HA+ 96 ARG HN 4.50 (# 1905:15 Unique 3.98, 4.58 A)
&rst
ixpk= 1905, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1475,1476,
&end
#
# 94 GLY HA- 96 ARG HN 5.50 (# 1906:15 Unique 3.98, 4.58 A)
&rst
ixpk= 1906, nxpk= 15, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1475,1476,
&end
#
# 82 TYR HB+ 82 TYR HN 3.50 (# 1909:15 Unique 2.30, 3.09 A)
&rst
ixpk= 1909, nxpk= 15, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1283,1284,
&end
#
# 79 ASP HN 80 VAL HN 3.50 (# 1910:15 Unique 1.76, 3.11 A)
&rst
ixpk= 1910, nxpk= 15, iat=1239,1251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HA 80 VAL HN 3.50 (# 1914:15 Unique 2.04, 2.33 A)
&rst
ixpk= 1914, nxpk= 15, iat=1241,1251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1916 0 AMB 15-1:1916 2.80 (# 1916:15 Double Ambig)
&rst
ixpk= 1916, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1253,2404,
igr2=1251,2444,
&end
#
# 0 AMB 15-2:1917 80 VAL HN 4.50 (# 1917:15 Single Ambig)
&rst
ixpk= 1917, nxpk= 15, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1243,1244,1318,1319,
&end
#
# 79 ASP HB- 80 VAL HN 4.50 (# 1918:15 Unique 4.06, 4.48 A)
&rst
ixpk= 1918, nxpk= 15, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1243,1244,
&end
#
# 0 AMB 15-2:1919 80 VAL HN 3.50 (# 1919:15 Single Ambig)
&rst
ixpk= 1919, nxpk= 15, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1114,1115,1114,1115,1255,
&end
#
# 0 AMB 15-2:1920 80 VAL HN 2.80 (# 1920:15 Single Ambig)
&rst
ixpk= 1920, nxpk= 15, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 82 TYR HN 81 ASP HN 4.50 (# 1921:15 Unique 2.54, 4.30 A)
&rst
ixpk= 1921, nxpk= 15, iat=1279,1267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 ASP HA 81 ASP HN 2.80 (# 1922:15 Unique 2.68, 2.93 A)
&rst
ixpk= 1922, nxpk= 15, iat=1269,1267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 VAL HA 81 ASP HN 2.80 (# 1923:15 Unique 2.08, 2.26 A)
&rst
ixpk= 1923, nxpk= 15, iat=1253,1267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:1924 81 ASP HN 3.50 (# 1924:15 Single Ambig)
&rst
ixpk= 1924, nxpk= 15, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1271,1272,1271,1272,
&end
#
# 80 VAL HB 81 ASP HN 4.50 (# 1925:15 Unique 1.76, 2.77 A)
&rst
ixpk= 1925, nxpk= 15, iat=1255,1267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1926 81 ASP HN 3.50 (# 1926:15 Single Ambig)
&rst
ixpk= 1926, nxpk= 15, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 55 ILE HN 54 PHE HN 5.50 (# 1927:15 Unique 1.79, 2.77 A)
&rst
ixpk= 1927, nxpk= 15, iat= 837, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HA 54 PHE HN 4.50 (# 1928:15 Unique 2.22, 2.81 A)
&rst
ixpk= 1928, nxpk= 15, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HB- 54 PHE HN 5.50 (# 1929:15 Unique 2.39, 3.17 A)
&rst
ixpk= 1929, nxpk= 15, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 821, 822,
&end
#
# 54 PHE HB+ 54 PHE HN 5.50 (# 1930:15 Unique 2.39, 3.17 A)
&rst
ixpk= 1930, nxpk= 15, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 821, 822,
&end
#
# 53 ALA MB 54 PHE HN 5.50 (# 1931:15 Unique 2.61, 3.74 A)
&rst
ixpk= 1931, nxpk= 15, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 811, 812, 813,
&end
#
# 73 ILE QG2 54 PHE HN 5.50 (# 1932:15 Unique 2.06, 4.76 A)
&rst
ixpk= 1932, nxpk= 15, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1140,1141,1142,
&end
#
# 53 ALA HA 54 PHE HN 5.50 (# 1933:15 Unique 2.22, 3.41 A)
&rst
ixpk= 1933, nxpk= 15, iat= 809, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL HN 68 ILE HN 5.50 (# 1934:15 Unique 4.09, 4.29 A)
&rst
ixpk= 1934, nxpk= 15, iat=1063,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLY HN 68 ILE HN 5.50 (# 1935:15 Unique 2.95, 3.16 A)
&rst
ixpk= 1935, nxpk= 15, iat= 878,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HA 68 ILE HN 4.50 (# 1937:15 Unique 2.36, 2.83 A)
&rst
ixpk= 1937, nxpk= 15, iat= 887,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 PRO HA 68 ILE HN 2.80 (# 1938:15 Unique 2.27, 2.33 A)
&rst
ixpk= 1938, nxpk= 15, iat=1040,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 ILE HA 68 ILE HN 4.50 (# 1939:15 Unique 2.96, 2.97 A)
&rst
ixpk= 1939, nxpk= 15, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1943 68 ILE HN 5.50 (# 1943:15 Single Ambig)
&rst
ixpk= 1943, nxpk= 15, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 860, 861,1541,
&end
#
# 68 ILE HB 68 ILE HN 3.50 (# 1944:15 Unique 2.54, 2.60 A)
&rst
ixpk= 1944, nxpk= 15, iat=1048,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1946 68 ILE HN 4.50 (# 1946:15 Single Ambig)
&rst
ixpk= 1946, nxpk= 15, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1069,1070,1071,1073,1074,1075, 907, 908, 909,
&end
#
# 0 AMB 15-2:1947 68 ILE HN 3.50 (# 1947:15 Single Ambig)
&rst
ixpk= 1947, nxpk= 15, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,1050,1051,1052,
&end
#
# 68 ILE QD1 68 ILE HN 4.50 (# 1948:15 Unique 4.10, 4.91 A)
&rst
ixpk= 1948, nxpk= 15, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1057,1058,1059,
&end
#
# 45 VAL MGY 68 ILE HN 5.50 (# 1949:15 Unique 4.28, 6.85 A)
&rst
ixpk= 1949, nxpk= 15, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 15-2:1950 69 VAL HN 5.50 (# 1950:15 Single Ambig)
&rst
ixpk= 1950, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1044, 856,
&end
#
# 56 LYS HN 70 ASP HN 5.50 (# 1952:15 Unique 3.42, 4.56 A)
&rst
ixpk= 1952, nxpk= 15, iat= 856,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1953 143 ILE HN 5.50 (# 1953:15 Single Ambig)
&rst
ixpk= 1953, nxpk= 15, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 415,2181,
&end
#
# 146 ASN HN 145 VAL HN 5.50 (# 1954:15 Unique 4.59, 4.64 A)
&rst
ixpk= 1954, nxpk= 15, iat=2254,2238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 145 VAL HN 5.50 (# 1955:15 Unique 3.26, 5.88 A)
&rst
ixpk= 1955, nxpk= 15, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 432,
&end
#
# 149 LYS HN 148 GLU HN 4.50 (# 1956:15 Unique 1.78, 2.93 A)
&rst
ixpk= 1956, nxpk= 15, iat=2302,2287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1957 148 GLU HN 3.50 (# 1957:15 Single Ambig)
&rst
ixpk= 1957, nxpk= 15, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2289,2270,
&end
#
# 0 AMB 15-2:1958 148 GLU HN 4.50 (# 1958:15 Single Ambig)
&rst
ixpk= 1958, nxpk= 15, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2294,2295,2294,2295,
&end
#
# 148 GLU HB+ 148 GLU HN 3.50 (# 1959:15 Unique 2.09, 3.17 A)
&rst
ixpk= 1959, nxpk= 15, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2291,2292,
&end
#
# 147 ILE QG2 148 GLU HN 5.50 (# 1961:15 Unique 2.32, 3.41 A)
&rst
ixpk= 1961, nxpk= 15, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2274,2275,2276,
&end
#
# 0 AMB 15-2:1962 148 GLU HN 5.50 (# 1962:15 Single Ambig)
&rst
ixpk= 1962, nxpk= 15, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
&end
#
# 148 GLU HB- 148 GLU HN 3.50 (# 1963:15 Unique 2.09, 3.17 A)
&rst
ixpk= 1963, nxpk= 15, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2291,2292,
&end
#
# 134 LEU HN 117 ARG HN 5.50 (# 1964:15 Unique 3.41, 4.13 A)
&rst
ixpk= 1964, nxpk= 15, iat=2066,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE HN 117 ARG HN 5.50 (# 1965:15 Unique 3.54, 3.92 A)
&rst
ixpk= 1965, nxpk= 15, iat=1790,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLY HA+ 117 ARG HN 4.50 (# 1966:15 Unique 3.59, 4.50 A)
&rst
ixpk= 1966, nxpk= 15, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2087,2088,
&end
#
# 0 AMB 15-2:1968 117 ARG HN 3.50 (# 1968:15 Single Ambig)
&rst
ixpk= 1968, nxpk= 15, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1792,1811,
&end
#
# 118 PRO HG+ 117 ARG HN 4.50 (# 1970:15 Unique 3.10, 3.86 A)
&rst
ixpk= 1970, nxpk= 15, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1837,1838,
&end
#
# 0 AMB 15-2:1971 117 ARG HN 3.50 (# 1971:15 Single Ambig)
&rst
ixpk= 1971, nxpk= 15, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1816,1817,1816,1817,
&end
#
# 117 ARG HB- 117 ARG HN 5.50 (# 1972:15 Unique 3.10, 3.73 A)
&rst
ixpk= 1972, nxpk= 15, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1813,1814,
&end
#
# 155 GLU HN 156 MET HN 5.50 (# 1973:15 Unique 2.56, 2.90 A)
&rst
ixpk= 1973, nxpk= 15, iat=2402,2417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 ALA HN 156 MET HN 5.50 (# 1974:15 Unique 2.58, 2.74 A)
&rst
ixpk= 1974, nxpk= 15, iat=2434,2417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1975 156 MET HN 3.50 (# 1975:15 Single Ambig)
&rst
ixpk= 1975, nxpk= 15, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2406,2407,2406,2407,
&end
#
# 0 AMB 25-2:2 0 AMB 25-1:2 2.80 (# 2:25 Double Ambig)
&rst
ixpk= 2, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1269,1659,
igr2=1271,1272,1271,1272,1661,1662,
&end
#
# 154 GLU HA 0 AMB 25-1:3 2.80 (# 3:25 Single Ambig)
&rst
ixpk= 3, nxpk= 25, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2394,2395,2394,2395,
&end
#
# 14 PRO HA 14 PRO HB+ 2.80 (# 4:25 Unique 2.28, 2.52 A)
&rst
ixpk= 4, nxpk= 25, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 201, 202,
&end
#
# 0 AMB 25-2:5 112 THR MG2 2.80 (# 5:25 Single Ambig)
&rst
ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1738,1736,
igr2=1740,1741,1742,
&end
#
# 0 AMB 25-2:7 112 THR MG2 3.50 (# 7:25 Single Ambig)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 221, 222, 195, 196,
igr2=1740,1741,1742,
&end
#
# 123 ALA HA 123 ALA MB 2.80 (# 9:25 Unique 2.44, 2.66 A)
&rst
ixpk= 9, nxpk= 25, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1910,1911,1912,
&end
#
# 49 ALA HA 49 ALA MB 2.80 (# 10:25 Unique 2.42, 2.68 A)
&rst
ixpk= 10, nxpk= 25, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 759, 760, 761,
&end
#
# 8 THR HN 7 VAL HA 5.50 (# 11:25 Unique 2.30, 2.74 A)
&rst
ixpk= 11, nxpk= 25, iat= 103, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 VAL HN 7 VAL HA 5.50 (# 12:25 Unique 2.15, 2.82 A)
&rst
ixpk= 12, nxpk= 25, iat= 87, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:14 7 VAL HA 3.50 (# 14:25 Single Ambig)
&rst
ixpk= 14, nxpk= 25, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 91, 46, 47, 46, 47,
&end
#
# 0 AMB 25-2:15 7 VAL HA 3.50 (# 15:25 Single Ambig)
&rst
ixpk= 15, nxpk= 25, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 25-2:16 7 VAL HB 2.80 (# 16:25 Single Ambig)
&rst
ixpk= 16, nxpk= 25, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 25-2:18 21 VAL HB 2.80 (# 18:25 Single Ambig)
&rst
ixpk= 18, nxpk= 25, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,1694,1695,1696,1698,1699,1700,1694,1695,
1696,1698,1699,1700,
&end
#
# 19 PHE HB+ 21 VAL HB 5.50 (# 19:25 Unique 4.17, 5.07 A)
&rst
ixpk= 19, nxpk= 25, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 262, 263,
&end
#
# 0 AMB 25-2:20 21 VAL HB 4.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1650,1651,1650,1651,
&end
#
# 7 VAL HA 7 VAL HB 3.50 (# 21:25 Unique 2.38, 2.48 A)
&rst
ixpk= 21, nxpk= 25, iat= 89, 91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL HA 21 VAL HB 5.50 (# 24:25 Unique 2.19, 2.29 A)
&rst
ixpk= 24, nxpk= 25, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:25 0 AMB 25-1:25 3.50 (# 25:25 Double Ambig)
&rst
ixpk= 25, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 87,1657,
igr2= 91, 301,
&end
#
# 21 VAL HN 21 VAL HB 4.50 (# 26:25 Unique 3.12, 3.41 A)
&rst
ixpk= 26, nxpk= 25, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 GLY HN 21 VAL HB 4.50 (# 27:25 Unique 5.00, 5.41 A)
&rst
ixpk= 27, nxpk= 25, iat= 436, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 SER HN 21 VAL HB 5.50 (# 28:25 Unique 4.52, 5.57 A)
&rst
ixpk= 28, nxpk= 25, iat=1646, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HN 21 VAL HB 5.50 (# 29:25 Unique 2.61, 3.55 A)
&rst
ixpk= 29, nxpk= 25, iat= 313, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL HN 69 VAL MGY 3.50 (# 31:25 Unique 2.14, 3.75 A)
&rst
ixpk= 31, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:32 87 VAL MGX 4.50 (# 32:25 Single Ambig)
&rst
ixpk= 32, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1370,1630,
igr2=1360,1361,1362,1364,1365,1366,
&end
#
# 0 AMB 25-2:33 0 AMB 25-1:33 3.50 (# 33:25 Double Ambig)
&rst
ixpk= 33, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 87,1354,
igr2= 93, 94, 95, 97, 98, 99,1360,1361,1362,1364,
1365,1366,
&end
#
# 0 AMB 25-2:34 69 VAL MGY 2.80 (# 34:25 Single Ambig)
&rst
ixpk= 34, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1065,1046,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:35 0 AMB 25-1:35 3.50 (# 35:25 Double Ambig)
&rst
ixpk= 35, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1356, 44,
igr2=1360,1361,1362,1364,1365,1366, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 25-2:36 0 AMB 25-1:36 2.80 (# 36:25 Double Ambig)
&rst
ixpk= 36, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1625,1626, 89, 61,
igr2=1360,1361,1362,1364,1365,1366, 93, 94, 95, 97,
98, 99,
&end
#
# 104 GLY HA- 87 VAL MGX 2.80 (# 37:25 Unique 2.22, 4.49 A)
&rst
ixpk= 37, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1625,1626,
igr2=1360,1361,1362,1364,1365,1366,
&end
#
# 0 AMB 25-2:38 0 AMB 25-1:38 2.80 (# 38:25 Double Ambig)
&rst
ixpk= 38, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1067, 91, 46, 47, 46, 47,2391,2392,
igr2=1069,1070,1071,1073,1074,1075, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 25-2:39 0 AMB 25-1:39 2.80 (# 39:25 Double Ambig)
&rst
ixpk= 39, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1358, 605, 606,2448,2449,1541,
igr2=1360,1361,1362,1364,1365,1366,1069,1070,1071,1073,
1074,1075,
&end
#
# 70 ASP HN 69 VAL MGY 5.50 (# 40:25 Unique 2.12, 4.23 A)
&rst
ixpk= 40, nxpk= 25, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:43 0 AMB 25-1:43 5.50 (# 43:25 Double Ambig)
&rst
ixpk= 43, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 837,1623,
igr2=1069,1070,1071,1073,1074,1075,1360,1361,1362,1364,
1365,1366,
&end
#
# 0 AMB 25-2:44 0 AMB 25-1:44 5.50 (# 44:25 Double Ambig)
&rst
ixpk= 44, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 117,1595,
igr2= 93, 94, 95, 97, 98, 99,1360,1361,1362,1364,
1365,1366,
&end
#
# 5 THR HA 7 VAL MGX 3.50 (# 46:25 Unique 2.88, 5.08 A)
&rst
ixpk= 46, nxpk= 25, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 93, 94, 95, 97, 98, 99,
&end
#
# 0 AMB 25-2:47 7 VAL MGX 2.80 (# 47:25 Single Ambig)
&rst
ixpk= 47, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 91, 46, 47, 46, 47,
igr2= 93, 94, 95, 97, 98, 99,
&end
#
# 8 THR MG2 8 THR HA 5.50 (# 50:25 Unique 2.40, 3.30 A)
&rst
ixpk= 50, nxpk= 25, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 109, 110, 111,
&end
#
# 8 THR MG2 8 THR HB 5.50 (# 51:25 Unique 2.35, 2.66 A)
&rst
ixpk= 51, nxpk= 25, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 109, 110, 111,
&end
#
# 8 THR HB 8 THR MG2 2.80 (# 53:25 Unique 2.35, 2.66 A)
&rst
ixpk= 53, nxpk= 25, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 109, 110, 111,
&end
#
# 8 THR HA 8 THR MG2 3.50 (# 54:25 Unique 2.40, 3.30 A)
&rst
ixpk= 54, nxpk= 25, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 109, 110, 111,
&end
#
# 10 LEU HN 8 THR MG2 5.50 (# 55:25 Unique 3.36, 6.87 A)
&rst
ixpk= 55, nxpk= 25, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 109, 110, 111,
&end
#
# 0 AMB 25-2:58 8 THR MG2 4.50 (# 58:25 Single Ambig)
&rst
ixpk= 58, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 127, 128, 127, 128, 121, 122,
igr2= 109, 110, 111,
&end
#
# 10 LEU HN 9 LYS HA 3.50 (# 61:25 Unique 2.00, 2.43 A)
&rst
ixpk= 61, nxpk= 25, iat= 139, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 LYS HB- 9 LYS HA 2.80 (# 67:25 Unique 2.32, 2.67 A)
&rst
ixpk= 67, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 121, 122,
&end
#
# 0 AMB 25-2:68 9 LYS HA 3.50 (# 68:25 Single Ambig)
&rst
ixpk= 68, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 124, 125, 124, 125,
&end
#
# 8 THR MG2 9 LYS HA 5.50 (# 69:25 Unique 3.85, 5.38 A)
&rst
ixpk= 69, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 109, 110, 111,
&end
#
# 9 LYS HA 9 LYS HB+ 3.50 (# 71:25 Unique 2.32, 2.67 A)
&rst
ixpk= 71, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 121, 122,
&end
#
# 9 LYS HA 9 LYS HB- 4.50 (# 72:25 Unique 2.32, 2.67 A)
&rst
ixpk= 72, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 121, 122,
&end
#
# 0 AMB 25-2:76 0 AMB 25-1:76 4.50 (# 76:25 Double Ambig)
&rst
ixpk= 76, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 119, 107, 160,
igr2= 124, 125, 124, 125, 124, 125, 124, 125,
&end
#
# 0 AMB 25-2:77 0 AMB 25-1:77 4.50 (# 77:25 Double Ambig)
&rst
ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 130, 131, 130, 131,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 25-2:78 0 AMB 25-1:78 2.80 (# 78:25 Double Ambig)
&rst
ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 121, 122, 121, 122,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 25-2:79 0 AMB 25-1:79 2.80 (# 79:25 Double Ambig)
&rst
ixpk= 79, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 127, 128, 127, 128, 127, 128,
igr2= 124, 125, 124, 125, 124, 125,
&end
#
# 0 AMB 25-2:80 0 AMB 25-1:80 5.50 (# 80:25 Double Ambig)
&rst
ixpk= 80, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 148, 149, 150, 152, 153, 154, 93, 94, 95, 97,
98, 99,
igr2= 124, 125, 124, 125,
&end
#
# 0 AMB 25-2:82 0 AMB 25-1:82 4.50 (# 82:25 Double Ambig)
&rst
ixpk= 82, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 119, 141, 160,
igr2= 127, 128, 127, 128, 127, 128, 127, 128,
&end
#
# 129 GLU HA 129 GLU HB+ 3.50 (# 83:25 Unique 2.30, 2.72 A)
&rst
ixpk= 83, nxpk= 25, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1994,1995,
&end
#
# 0 AMB 25-2:85 0 AMB 25-1:85 2.80 (# 85:25 Double Ambig)
&rst
ixpk= 85, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 130, 131, 130, 131, 130, 131,
igr2= 127, 128, 127, 128, 127, 128,
&end
#
# 130 TYR HD 129 GLU HB+ 5.50 (# 86:25 Unique 2.18, 6.33 A)
&rst
ixpk= 86, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2013,2022,
igr2=1994,1995,
&end
#
# 146 ASN HD2- 129 GLU HB+ 5.50 (# 87:25 Unique 2.72, 5.95 A)
&rst
ixpk= 87, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2263,2264,
igr2=1994,1995,
&end
#
# 130 TYR HN 129 GLU HB+ 5.50 (# 89:25 Unique 2.01, 3.56 A)
&rst
ixpk= 89, nxpk= 25, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1994,1995,
&end
#
# 146 ASN HD2+ 129 GLU HB+ 5.50 (# 90:25 Unique 2.72, 5.95 A)
&rst
ixpk= 90, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2263,2264,
igr2=1994,1995,
&end
#
# 129 GLU HN 129 GLU HB+ 4.50 (# 91:25 Unique 2.40, 3.13 A)
&rst
ixpk= 91, nxpk= 25, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1994,1995,
&end
#
# 0 AMB 25-2:96 0 AMB 25-1:96 5.50 (# 96:25 Double Ambig)
&rst
ixpk= 96, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 172, 173, 172, 173,
igr2= 130, 131, 130, 131,
&end
#
# 0 AMB 25-2:100 0 AMB 25-1:100 2.80 (# 100:25 Double Ambig)
&rst
ixpk= 100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 121, 122, 127, 128, 127, 128,
igr2= 130, 131, 130, 131, 130, 131,
&end
#
# 0 AMB 25-2:101 9 LYS HE- 2.80 (# 101:25 Single Ambig)
&rst
ixpk= 101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 121, 122, 127, 128, 127, 128,
igr2= 130, 131,
&end
#
# 0 AMB 25-2:102 0 AMB 25-1:102 3.50 (# 102:25 Double Ambig)
&rst
ixpk= 102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 162, 163, 164, 124, 125, 124, 125,
igr2= 130, 131, 130, 131, 130, 131,
&end
#
# 0 AMB 25-2:103 9 LYS HE- 3.50 (# 103:25 Single Ambig)
&rst
ixpk= 103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 162, 163, 164, 124, 125, 124, 125,
igr2= 130, 131,
&end
#
# 0 AMB 25-2:105 10 LEU HA 3.50 (# 105:25 Single Ambig)
&rst
ixpk= 105, nxpk= 25, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 139, 158,
&end
#
# 0 AMB 25-2:108 10 LEU HA 2.80 (# 108:25 Single Ambig)
&rst
ixpk= 108, nxpk= 25, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 143, 144, 143, 144,
&end
#
# 0 AMB 25-2:109 10 LEU HA 4.50 (# 109:25 Single Ambig)
&rst
ixpk= 109, nxpk= 25, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 124, 125, 124, 125,
&end
#
# 10 LEU MDY 10 LEU HA 3.50 (# 110:25 Unique 2.14, 4.18 A)
&rst
ixpk= 110, nxpk= 25, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 148, 149, 150, 152, 153, 154,
&end
#
# 0 AMB 25-2:111 0 AMB 25-1:111 4.50 (# 111:25 Double Ambig)
&rst
ixpk= 111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 158, 139,
igr2= 143, 144, 143, 144,
&end
#
# 0 AMB 25-2:112 10 LEU HB- 5.50 (# 112:25 Single Ambig)
&rst
ixpk= 112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 158, 139,
igr2= 143, 144,
&end
#
# 0 AMB 25-2:113 0 AMB 25-1:113 4.50 (# 113:25 Double Ambig)
&rst
ixpk= 113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2102, 168,
igr2=2106,2107, 143, 144,
&end
#
# 137 LEU HA 137 LEU HB+ 3.50 (# 117:25 Unique 2.34, 2.80 A)
&rst
ixpk= 117, nxpk= 25, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2106,2107,
&end
#
# 10 LEU HA 10 LEU HB+ 3.50 (# 118:25 Unique 2.28, 2.61 A)
&rst
ixpk= 118, nxpk= 25, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 143, 144,
&end
#
# 10 LEU HA 10 LEU HB- 3.50 (# 119:25 Unique 2.28, 2.61 A)
&rst
ixpk= 119, nxpk= 25, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 143, 144,
&end
#
# 0 AMB 25-2:120 0 AMB 25-1:120 5.50 (# 120:25 Double Ambig)
&rst
ixpk= 120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 186, 187, 186, 187,1777,1778,2171,2172,
igr2= 143, 144, 143, 144,2106,2107,2106,2107,
&end
#
# 0 AMB 25-2:121 10 LEU HB- 5.50 (# 121:25 Single Ambig)
&rst
ixpk= 121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 186, 187, 186, 187,
igr2= 143, 144,
&end
#
# 140 ARG HB+ 137 LEU HB+ 3.50 (# 122:25 Unique 2.14, 3.58 A)
&rst
ixpk= 122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2144,2145,
igr2=2106,2107,
&end
#
# 0 AMB 25-2:124 0 AMB 25-1:124 2.80 (# 124:25 Double Ambig)
&rst
ixpk= 124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 148, 149, 150, 152, 153, 154, 148, 149, 150, 152,
153, 154,2111,2112,2113,2115,2116,2117,2111,2112,
2113,2115,2116,2117, 93, 94, 95, 97, 98, 99,
igr2= 143, 144, 143, 144,2106,2107,2106,2107, 143, 144,
&end
#
# 0 AMB 25-2:125 0 AMB 25-1:125 5.50 (# 125:25 Double Ambig)
&rst
ixpk= 125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,1724,1725,1726,1728,1729,1730,
igr2=2106,2107,2106,2107,2106,2107,
&end
#
# 0 AMB 25-2:126 0 AMB 25-1:126 3.50 (# 126:25 Double Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 141, 839, 160,
igr2= 148, 149, 150, 152, 153, 154,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 10 LEU HB+ 10 LEU MDY 2.80 (# 127:25 Unique 2.31, 3.35 A)
&rst
ixpk= 127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 143, 144,
igr2= 148, 149, 150, 152, 153, 154,
&end
#
# 0 AMB 25-2:128 10 LEU MDX 5.50 (# 128:25 Single Ambig)
&rst
ixpk= 128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 141, 160,
igr2= 148, 149, 150, 152, 153, 154,
&end
#
# 10 LEU HB+ 10 LEU MDX 2.80 (# 129:25 Unique 2.31, 3.35 A)
&rst
ixpk= 129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 143, 144,
igr2= 148, 149, 150, 152, 153, 154,
&end
#
# 12 SER HN 11 ALA HA 4.50 (# 130:25 Unique 2.42, 3.24 A)
&rst
ixpk= 130, nxpk= 25, iat= 168, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:131 11 ALA HA 2.80 (# 131:25 Single Ambig)
&rst
ixpk= 131, nxpk= 25, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 162, 163, 164, 124, 125, 124, 125,
&end
#
# 0 AMB 25-2:132 11 ALA HA 5.50 (# 132:25 Single Ambig)
&rst
ixpk= 132, nxpk= 25, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 148, 149, 150, 152, 153, 154, 148, 149, 150, 152,
153, 154,
&end
#
# 11 ALA HA 11 ALA MB 2.80 (# 135:25 Unique 2.41, 2.66 A)
&rst
ixpk= 135, nxpk= 25, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 162, 163, 164,
&end
#
# 0 AMB 25-2:137 11 ALA MB 5.50 (# 137:25 Single Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 186, 187, 186, 187,
igr2= 162, 163, 164,
&end
#
# 13 GLU HN 12 SER HA 4.50 (# 138:25 Unique 2.19, 3.16 A)
&rst
ixpk= 138, nxpk= 25, iat= 179, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:139 12 SER HA 2.80 (# 139:25 Single Ambig)
&rst
ixpk= 139, nxpk= 25, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 172, 173, 172, 173,
&end
#
# 0 AMB 25-2:140 12 SER HA 5.50 (# 140:25 Single Ambig)
&rst
ixpk= 140, nxpk= 25, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 148, 149, 150, 152, 153, 154, 148, 149, 150, 152,
153, 154,
&end
#
# 12 SER HA 0 AMB 25-1:142 2.80 (# 142:25 Single Ambig)
&rst
ixpk= 142, nxpk= 25, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 172, 173, 172, 173,
&end
#
# 0 AMB 25-2:143 0 AMB 25-1:143 5.50 (# 143:25 Double Ambig)
&rst
ixpk= 143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 436,2128,
igr2=2221,2130,
&end
#
# 0 AMB 25-2:144 144 LEU HA 2.80 (# 144:25 Single Ambig)
&rst
ixpk= 144, nxpk= 25, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2238,2219,
&end
#
# 133 GLY HN 144 LEU HA 5.50 (# 146:25 Unique 4.62, 4.87 A)
&rst
ixpk= 146, nxpk= 25, iat=2059,2221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY HA+ 144 LEU HA 5.50 (# 147:25 Unique 3.28, 4.07 A)
&rst
ixpk= 147, nxpk= 25, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 0 AMB 25-2:148 0 AMB 25-1:148 4.50 (# 148:25 Double Ambig)
&rst
ixpk= 148, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 445,2094,
igr2=2221,2130,
&end
#
# 14 PRO HD+ 13 GLU HA 3.50 (# 149:25 Unique 2.20, 2.46 A)
&rst
ixpk= 149, nxpk= 25, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 195, 196,
&end
#
# 14 PRO HD- 13 GLU HA 3.50 (# 150:25 Unique 2.20, 2.46 A)
&rst
ixpk= 150, nxpk= 25, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 195, 196,
&end
#
# 0 AMB 25-2:151 13 GLU HA 5.50 (# 151:25 Single Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 186, 187, 186, 187,
&end
#
# 13 GLU HB+ 13 GLU HA 3.50 (# 152:25 Unique 2.31, 2.68 A)
&rst
ixpk= 152, nxpk= 25, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 183, 184,
&end
#
# 144 LEU HB+ 144 LEU HA 4.50 (# 154:25 Unique 2.44, 2.80 A)
&rst
ixpk= 154, nxpk= 25, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2223,2224,
&end
#
# 0 AMB 25-2:155 144 LEU HA 4.50 (# 155:25 Single Ambig)
&rst
ixpk= 155, nxpk= 25, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2244,2245,2246,2248,2249,2250,2185,2186,2185,2186,
2051,2052,2053,
&end
#
# 144 LEU MDY 144 LEU HA 3.50 (# 157:25 Unique 2.16, 3.47 A)
&rst
ixpk= 157, nxpk= 25, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 13 GLU HA 13 GLU HB+ 3.50 (# 158:25 Unique 2.31, 2.68 A)
&rst
ixpk= 158, nxpk= 25, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 183, 184,
&end
#
# 13 GLU HA 13 GLU HB- 4.50 (# 159:25 Unique 2.31, 2.68 A)
&rst
ixpk= 159, nxpk= 25, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 183, 184,
&end
#
# 14 PRO HD+ 13 GLU HB+ 5.50 (# 160:25 Unique 2.09, 3.93 A)
&rst
ixpk= 160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 195, 196,
igr2= 183, 184,
&end
#
# 14 PRO HD+ 13 GLU HB- 5.50 (# 161:25 Unique 2.09, 3.93 A)
&rst
ixpk= 161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 195, 196,
igr2= 183, 184,
&end
#
# 14 PRO HD- 13 GLU HB- 5.50 (# 162:25 Unique 2.09, 3.93 A)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 195, 196,
igr2= 183, 184,
&end
#
# 14 PRO HD- 13 GLU HB+ 4.50 (# 163:25 Unique 2.09, 3.93 A)
&rst
ixpk= 163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 195, 196,
igr2= 183, 184,
&end
#
# 13 GLU HA 0 AMB 25-1:164 4.50 (# 164:25 Single Ambig)
&rst
ixpk= 164, nxpk= 25, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 186, 187, 186, 187,
&end
#
# 13 GLU HN 0 AMB 25-1:165 4.50 (# 165:25 Single Ambig)
&rst
ixpk= 165, nxpk= 25, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 186, 187, 186, 187,
&end
#
# 14 PRO HD- 0 AMB 25-1:166 5.50 (# 166:25 Single Ambig)
&rst
ixpk= 166, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 195, 196,
igr2= 186, 187, 186, 187,
&end
#
# 0 AMB 25-2:167 0 AMB 25-1:167 5.50 (# 167:25 Double Ambig)
&rst
ixpk= 167, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 130, 131, 130, 131,
igr2= 186, 187, 186, 187,
&end
#
# 13 GLU HB- 0 AMB 25-1:169 2.80 (# 169:25 Single Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 183, 184,
igr2= 186, 187, 186, 187,
&end
#
# 0 AMB 25-2:172 0 AMB 25-1:172 5.50 (# 172:25 Double Ambig)
&rst
ixpk= 172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
igr1= 195, 196, 195, 196, 172, 173, 172, 173, 172, 173,
igr2= 186, 187, 186, 187, 186, 187, 186, 187,
&end
#
# 15 SER HN 14 PRO HA 3.50 (# 173:25 Unique 2.33, 2.67 A)
&rst
ixpk= 173, nxpk= 25, iat= 208, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:175 14 PRO HA 5.50 (# 175:25 Single Ambig)
&rst
ixpk= 175, nxpk= 25, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 195, 196, 172, 173,
&end
#
# 14 PRO HD- 14 PRO HA 5.50 (# 176:25 Unique 3.49, 3.87 A)
&rst
ixpk= 176, nxpk= 25, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 196,
&end
#
# 14 PRO HB+ 14 PRO HA 2.80 (# 177:25 Unique 2.28, 2.52 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 201, 202,
&end
#
# 14 PRO HB- 14 PRO HA 2.80 (# 178:25 Unique 2.28, 2.52 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 201, 202,
&end
#
# 141 MET HN 141 MET HG- 4.50 (# 180:25 Unique 3.36, 3.87 A)
&rst
ixpk= 180, nxpk= 25, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 140 ARG HN 141 MET HG- 5.50 (# 181:25 Unique 4.35, 5.23 A)
&rst
ixpk= 181, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2171,2172,
&end
#
# 36 VAL HN 36 VAL HB 2.80 (# 182:25 Unique 2.33, 2.44 A)
&rst
ixpk= 182, nxpk= 25, iat= 534, 538, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 PRO HA 118 PRO HB+ 2.80 (# 183:25 Unique 2.26, 2.53 A)
&rst
ixpk= 183, nxpk= 25, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1840,1841,
&end
#
# 33 ILE HA 36 VAL HB 4.50 (# 184:25 Unique 2.86, 3.43 A)
&rst
ixpk= 184, nxpk= 25, iat= 476, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:185 0 AMB 25-1:185 3.50 (# 185:25 Double Ambig)
&rst
ixpk= 185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1834,1835, 536,
igr2=1840,1841, 538,
&end
#
# 118 PRO HD- 118 PRO HB+ 5.50 (# 186:25 Unique 2.67, 3.66 A)
&rst
ixpk= 186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1834,1835,
igr2=1840,1841,
&end
#
# 0 AMB 25-2:188 0 AMB 25-1:188 5.50 (# 188:25 Double Ambig)
&rst
ixpk= 188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2070,2071,2073,
igr2=1840,1841,1840,1841,
&end
#
# 0 AMB 25-2:189 36 VAL HB 2.80 (# 189:25 Single Ambig)
&rst
ixpk= 189, nxpk= 25, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 540, 541, 542, 544, 545, 546, 487, 488, 489,
&end
#
# 36 VAL MGX 36 VAL HB 2.80 (# 190:25 Unique 2.42, 2.67 A)
&rst
ixpk= 190, nxpk= 25, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 141 MET HA 141 MET HG- 4.50 (# 191:25 Unique 2.30, 2.74 A)
&rst
ixpk= 191, nxpk= 25, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 0 AMB 25-2:192 0 AMB 25-1:192 5.50 (# 192:25 Double Ambig)
&rst
ixpk= 192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2066, 493,
igr2=1840,1841, 538,
&end
#
# 142 LEU HN 141 MET HG- 5.50 (# 193:25 Unique 3.75, 4.58 A)
&rst
ixpk= 193, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2171,2172,
&end
#
# 37 GLN HN 36 VAL HB 5.50 (# 194:25 Unique 4.06, 4.18 A)
&rst
ixpk= 194, nxpk= 25, iat= 550, 538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:198 0 AMB 25-1:198 4.50 (# 198:25 Double Ambig)
&rst
ixpk= 198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 204, 210,1792,
igr2= 198, 199, 198, 199, 198, 199,
&end
#
# 0 AMB 25-2:199 14 PRO HG- 3.50 (# 199:25 Single Ambig)
&rst
ixpk= 199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 204, 210,1792,1811,
igr2= 198, 199,
&end
#
# 14 PRO HD+ 14 PRO HG+ 2.80 (# 200:25 Unique 2.30, 2.62 A)
&rst
ixpk= 200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 195, 196,
igr2= 198, 199,
&end
#
# 14 PRO HD- 14 PRO HG+ 3.50 (# 201:25 Unique 2.30, 2.62 A)
&rst
ixpk= 201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 195, 196,
igr2= 198, 199,
&end
#
# 54 PHE HB+ 52 PRO HG+ 4.50 (# 203:25 Unique 2.43, 4.82 A)
&rst
ixpk= 203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 821, 822,
igr2= 797, 798,
&end
#
# 116 ILE HB 14 PRO HG+ 5.50 (# 204:25 Unique 2.35, 4.88 A)
&rst
ixpk= 204, nxpk= 25, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 198, 199,
&end
#
# 112 THR MG2 14 PRO HG- 5.50 (# 206:25 Unique 2.16, 5.57 A)
&rst
ixpk= 206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1740,1741,1742,
igr2= 198, 199,
&end
#
# 52 PRO HD- 52 PRO HG+ 4.50 (# 207:25 Unique 2.31, 2.61 A)
&rst
ixpk= 207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 794, 795,
igr2= 797, 798,
&end
#
# 0 AMB 25-2:208 0 AMB 25-1:208 3.50 (# 208:25 Double Ambig)
&rst
ixpk= 208, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 181,1738,
igr2= 195, 196, 195, 196,
&end
#
# 0 AMB 25-2:209 14 PRO HD- 3.50 (# 209:25 Single Ambig)
&rst
ixpk= 209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 181,1738,
igr2= 195, 196,
&end
#
# 0 AMB 25-2:210 0 AMB 25-1:210 4.50 (# 210:25 Double Ambig)
&rst
ixpk= 210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 204,1811, 210,
igr2= 195, 196, 195, 196, 195, 196,
&end
#
# 0 AMB 25-2:211 14 PRO HD- 5.50 (# 211:25 Single Ambig)
&rst
ixpk= 211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204,1811, 210,
igr2= 195, 196,
&end
#
# 0 AMB 25-2:212 0 AMB 25-1:212 4.50 (# 212:25 Double Ambig)
&rst
ixpk= 212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=1765,1766, 186, 187, 186, 187, 201, 202,
igr2= 195, 196, 195, 196, 195, 196, 195, 196,
&end
#
# 0 AMB 25-2:213 14 PRO HD- 4.50 (# 213:25 Single Ambig)
&rst
ixpk= 213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1765,1766, 186, 187, 186, 187, 201, 202,
igr2= 195, 196,
&end
#
# 0 AMB 25-2:214 0 AMB 25-1:214 2.80 (# 214:25 Double Ambig)
&rst
ixpk= 214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 183, 184,1762,1763, 198, 199,
igr2= 195, 196, 195, 196, 195, 196,
&end
#
# 0 AMB 25-2:215 14 PRO HD- 2.80 (# 215:25 Single Ambig)
&rst
ixpk= 215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 183, 184,1762,1763, 198, 199,
igr2= 195, 196,
&end
#
# 15 SER HN 15 SER HA 5.50 (# 216:25 Unique 2.19, 2.77 A)
&rst
ixpk= 216, nxpk= 25, iat= 208, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLY HN 15 SER HA 3.50 (# 217:25 Unique 2.12, 2.39 A)
&rst
ixpk= 217, nxpk= 25, iat= 219, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLN HN 15 SER HA 5.50 (# 218:25 Unique 3.95, 5.52 A)
&rst
ixpk= 218, nxpk= 25, iat= 226, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:219 15 SER HA 2.80 (# 219:25 Single Ambig)
&rst
ixpk= 219, nxpk= 25, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 212, 213, 212, 213,
&end
#
# 0 AMB 25-2:220 15 SER HA 5.50 (# 220:25 Single Ambig)
&rst
ixpk= 220, nxpk= 25, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 198, 199, 230, 231,
&end
#
# 164 SER HN 0 AMB 25-1:221 4.50 (# 221:25 Single Ambig)
&rst
ixpk= 221, nxpk= 25, iat=2525, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2529,2530,2529,2530,
&end
#
# 164 SER HN 0 AMB 25-1:222 5.50 (# 222:25 Single Ambig)
&rst
ixpk= 222, nxpk= 25, iat=2525, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2529,2530,2529,2530,
&end
#
# 16 GLY HN 15 SER HB- 5.50 (# 223:25 Unique 1.97, 3.57 A)
&rst
ixpk= 223, nxpk= 25, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 212, 213,
&end
#
# 164 SER HA 0 AMB 25-1:224 2.80 (# 224:25 Single Ambig)
&rst
ixpk= 224, nxpk= 25, iat=2527, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2529,2530,2529,2530,
&end
#
# 164 SER HA 0 AMB 25-1:225 2.80 (# 225:25 Single Ambig)
&rst
ixpk= 225, nxpk= 25, iat=2527, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2529,2530,2529,2530,
&end
#
# 112 THR HN 16 GLY HA+ 4.50 (# 226:25 Unique 4.19, 5.25 A)
&rst
ixpk= 226, nxpk= 25, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 221, 222,
&end
#
# 17 GLN HN 16 GLY HA+ 2.80 (# 227:25 Unique 2.13, 2.81 A)
&rst
ixpk= 227, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 221, 222,
&end
#
# 17 GLN HN 16 GLY HA- 2.80 (# 228:25 Unique 2.13, 2.81 A)
&rst
ixpk= 228, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 221, 222,
&end
#
# 16 GLY HN 16 GLY HA+ 4.50 (# 229:25 Unique 2.20, 2.61 A)
&rst
ixpk= 229, nxpk= 25, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 221, 222,
&end
#
# 16 GLY HN 16 GLY HA- 4.50 (# 230:25 Unique 2.20, 2.61 A)
&rst
ixpk= 230, nxpk= 25, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 221, 222,
&end
#
# 112 THR HA 16 GLY HA+ 3.50 (# 234:25 Unique 2.00, 3.11 A)
&rst
ixpk= 234, nxpk= 25, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 221, 222,
&end
#
# 112 THR HA 16 GLY HA- 4.50 (# 235:25 Unique 2.00, 3.11 A)
&rst
ixpk= 235, nxpk= 25, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 221, 222,
&end
#
# 112 THR MG2 16 GLY HA+ 5.50 (# 239:25 Unique 2.19, 4.00 A)
&rst
ixpk= 239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1740,1741,1742,
igr2= 221, 222,
&end
#
# 112 THR MG2 16 GLY HA- 5.50 (# 240:25 Unique 2.19, 4.00 A)
&rst
ixpk= 240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1740,1741,1742,
igr2= 221, 222,
&end
#
# 116 ILE QD1 16 GLY HA- 5.50 (# 241:25 Unique 3.84, 7.28 A)
&rst
ixpk= 241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1803,1804,1805,
igr2= 221, 222,
&end
#
# 113 ALA HN 16 GLY HA- 5.50 (# 242:25 Unique 2.95, 4.71 A)
&rst
ixpk= 242, nxpk= 25, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 221, 222,
&end
#
# 0 AMB 25-2:243 16 GLY HA- 5.50 (# 243:25 Single Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1715,1734,
igr2= 221, 222,
&end
#
# 111 LEU HN 17 GLN HA 5.50 (# 244:25 Unique 4.80, 4.89 A)
&rst
ixpk= 244, nxpk= 25, iat=1715, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HN 17 GLN HA 2.80 (# 245:25 Unique 2.91, 2.96 A)
&rst
ixpk= 245, nxpk= 25, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 GLU HN 17 GLN HA 2.80 (# 246:25 Unique 2.04, 2.40 A)
&rst
ixpk= 246, nxpk= 25, iat= 243, 228, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 GLN HE2- 17 GLN HA 5.50 (# 247:25 Unique 4.54, 5.31 A)
&rst
ixpk= 247, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 238, 239,
&end
#
# 17 GLN HG- 17 GLN HA 2.80 (# 250:25 Unique 2.29, 2.73 A)
&rst
ixpk= 250, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 233, 234,
&end
#
# 17 GLN HB+ 17 GLN HA 2.80 (# 251:25 Unique 2.53, 2.82 A)
&rst
ixpk= 251, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 230, 231,
&end
#
# 17 GLN HB- 17 GLN HA 2.80 (# 252:25 Unique 2.53, 2.82 A)
&rst
ixpk= 252, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 230, 231,
&end
#
# 111 LEU HN 17 GLN HB+ 5.50 (# 253:25 Unique 3.65, 4.42 A)
&rst
ixpk= 253, nxpk= 25, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 230, 231,
&end
#
# 111 LEU HN 17 GLN HB- 5.50 (# 254:25 Unique 3.65, 4.42 A)
&rst
ixpk= 254, nxpk= 25, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 230, 231,
&end
#
# 17 GLN HN 17 GLN HB+ 3.50 (# 255:25 Unique 2.18, 3.02 A)
&rst
ixpk= 255, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 230, 231,
&end
#
# 17 GLN HN 17 GLN HB- 3.50 (# 256:25 Unique 2.18, 3.02 A)
&rst
ixpk= 256, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 230, 231,
&end
#
# 18 GLU HN 17 GLN HB+ 5.50 (# 257:25 Unique 2.09, 2.91 A)
&rst
ixpk= 257, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 230, 231,
&end
#
# 18 GLU HN 17 GLN HB- 5.50 (# 258:25 Unique 2.09, 2.91 A)
&rst
ixpk= 258, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 230, 231,
&end
#
# 19 PHE HE 17 GLN HB+ 4.50 (# 261:25 Unique 2.30, 4.27 A)
&rst
ixpk= 261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 268, 272,
igr2= 230, 231,
&end
#
# 19 PHE HE 17 GLN HB- 4.50 (# 262:25 Unique 2.30, 4.27 A)
&rst
ixpk= 262, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 268, 272,
igr2= 230, 231,
&end
#
# 17 GLN HA 17 GLN HB+ 2.80 (# 265:25 Unique 2.53, 2.82 A)
&rst
ixpk= 265, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 230, 231,
&end
#
# 17 GLN HA 17 GLN HB- 3.50 (# 266:25 Unique 2.53, 2.82 A)
&rst
ixpk= 266, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 230, 231,
&end
#
# 32 ASP HA 17 GLN HB+ 5.50 (# 267:25 Unique 3.36, 5.02 A)
&rst
ixpk= 267, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 230, 231,
&end
#
# 116 ILE QD1 17 GLN HB+ 4.50 (# 268:25 Unique 3.06, 4.93 A)
&rst
ixpk= 268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1803,1804,1805,
igr2= 230, 231,
&end
#
# 116 ILE QD1 17 GLN HB- 4.50 (# 269:25 Unique 3.06, 4.93 A)
&rst
ixpk= 269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1803,1804,1805,
igr2= 230, 231,
&end
#
# 17 GLN HN 17 GLN HG+ 5.50 (# 270:25 Unique 2.52, 3.64 A)
&rst
ixpk= 270, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 17 GLN HN 17 GLN HG- 5.50 (# 271:25 Unique 2.52, 3.64 A)
&rst
ixpk= 271, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 18 GLU HN 17 GLN HG+ 5.50 (# 272:25 Unique 3.33, 4.09 A)
&rst
ixpk= 272, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 18 GLU HN 17 GLN HG- 5.50 (# 273:25 Unique 3.33, 4.09 A)
&rst
ixpk= 273, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 17 GLN HE2+ 17 GLN HG+ 4.50 (# 274:25 Unique 2.39, 3.52 A)
&rst
ixpk= 274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 238, 239,
igr2= 233, 234,
&end
#
# 17 GLN HE2+ 17 GLN HG- 4.50 (# 275:25 Unique 2.39, 3.52 A)
&rst
ixpk= 275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 238, 239,
igr2= 233, 234,
&end
#
# 0 AMB 25-2:278 0 AMB 25-1:278 5.50 (# 278:25 Double Ambig)
&rst
ixpk= 278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 268, 272, 825, 833,
igr2= 233, 234,1067,
&end
#
# 17 GLN HE2- 17 GLN HG+ 4.50 (# 280:25 Unique 2.39, 3.52 A)
&rst
ixpk= 280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 238, 239,
igr2= 233, 234,
&end
#
# 17 GLN HE2- 17 GLN HG- 5.50 (# 281:25 Unique 2.39, 3.52 A)
&rst
ixpk= 281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 238, 239,
igr2= 233, 234,
&end
#
# 17 GLN HA 17 GLN HG+ 3.50 (# 282:25 Unique 2.29, 2.73 A)
&rst
ixpk= 282, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 233, 234,
&end
#
# 17 GLN HA 17 GLN HG- 3.50 (# 283:25 Unique 2.29, 2.73 A)
&rst
ixpk= 283, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 233, 234,
&end
#
# 0 AMB 25-2:284 0 AMB 25-1:284 5.50 (# 284:25 Double Ambig)
&rst
ixpk= 284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 221, 222,1750, 464,
igr2= 233, 234, 233, 234, 233, 234,
&end
#
# 0 AMB 25-2:285 17 GLN HG- 5.50 (# 285:25 Single Ambig)
&rst
ixpk= 285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 221, 222,1750, 464,
igr2= 233, 234,
&end
#
# 19 PHE HN 18 GLU HA 3.50 (# 287:25 Unique 2.19, 2.23 A)
&rst
ixpk= 287, nxpk= 25, iat= 258, 245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 LEU HN 18 GLU HA 5.50 (# 288:25 Unique 3.20, 3.42 A)
&rst
ixpk= 288, nxpk= 25, iat=1715, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 18 GLU HA 5.50 (# 289:25 Unique 2.93, 2.95 A)
&rst
ixpk= 289, nxpk= 25, iat= 243, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HA 18 GLU HA 3.50 (# 290:25 Unique 1.95, 2.04 A)
&rst
ixpk= 290, nxpk= 25, iat=1706, 245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 SER HB+ 18 GLU HA 5.50 (# 291:25 Unique 2.75, 3.92 A)
&rst
ixpk= 291, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1708,1709,
&end
#
# 18 GLU HG+ 18 GLU HA 4.50 (# 292:25 Unique 2.35, 2.75 A)
&rst
ixpk= 292, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 250, 251,
&end
#
# 18 GLU HG- 18 GLU HA 3.50 (# 293:25 Unique 2.35, 2.75 A)
&rst
ixpk= 293, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 250, 251,
&end
#
# 18 GLU HB- 18 GLU HA 4.50 (# 294:25 Unique 2.44, 2.76 A)
&rst
ixpk= 294, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 247, 248,
&end
#
# 19 PHE HN 18 GLU HB+ 5.50 (# 296:25 Unique 4.10, 4.21 A)
&rst
ixpk= 296, nxpk= 25, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 247, 248,
&end
#
# 19 PHE HN 18 GLU HB- 4.50 (# 297:25 Unique 4.10, 4.21 A)
&rst
ixpk= 297, nxpk= 25, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 247, 248,
&end
#
# 0 AMB 25-2:298 0 AMB 25-1:298 2.80 (# 298:25 Double Ambig)
&rst
ixpk= 298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1521, 243,
igr2=1501,1502,1501,1502, 247, 248,
&end
#
# 18 GLU HN 18 GLU HB- 3.50 (# 299:25 Unique 2.37, 2.87 A)
&rst
ixpk= 299, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 247, 248,
&end
#
# 18 GLU HA 18 GLU HB+ 3.50 (# 300:25 Unique 2.44, 2.76 A)
&rst
ixpk= 300, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 247, 248,
&end
#
# 18 GLU HA 18 GLU HB- 4.50 (# 301:25 Unique 2.44, 2.76 A)
&rst
ixpk= 301, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 247, 248,
&end
#
# 33 ILE QG2 18 GLU HB- 2.80 (# 302:25 Unique 2.27, 3.79 A)
&rst
ixpk= 302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 480, 481, 482,
igr2= 247, 248,
&end
#
# 108 VAL MGX 18 GLU HB- 4.50 (# 303:25 Unique 4.72, 6.85 A)
&rst
ixpk= 303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1675,1676,1677,1679,1680,1681,
igr2= 247, 248,
&end
#
# 0 AMB 25-2:304 0 AMB 25-1:304 2.80 (# 304:25 Double Ambig)
&rst
ixpk= 304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2281,2282,2283, 480, 481, 482,
igr2= 516, 517, 247, 248,
&end
#
# 0 AMB 25-2:305 35 LYS HB- 3.50 (# 305:25 Single Ambig)
&rst
ixpk= 305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2= 516, 517,
&end
#
# 18 GLU HG+ 18 GLU HB- 2.80 (# 306:25 Unique 2.41, 2.75 A)
&rst
ixpk= 306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 250, 251,
igr2= 247, 248,
&end
#
# 108 VAL MGX 18 GLU HG+ 4.50 (# 308:25 Unique 2.32, 4.67 A)
&rst
ixpk= 308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1675,1676,1677,1679,1680,1681,
igr2= 250, 251,
&end
#
# 33 ILE QG2 18 GLU HG+ 3.50 (# 309:25 Unique 2.43, 4.25 A)
&rst
ixpk= 309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 480, 481, 482,
igr2= 250, 251,
&end
#
# 108 VAL MGX 18 GLU HG- 3.50 (# 310:25 Unique 2.32, 4.67 A)
&rst
ixpk= 310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1675,1676,1677,1679,1680,1681,
igr2= 250, 251,
&end
#
# 0 AMB 25-2:311 18 GLU HG- 4.50 (# 311:25 Single Ambig)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1675,1676,1677,1679,1680,1681, 480, 481, 482,
igr2= 250, 251,
&end
#
# 18 GLU HB- 18 GLU HG+ 3.50 (# 312:25 Unique 2.41, 2.75 A)
&rst
ixpk= 312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 33 ILE HB 18 GLU HG- 3.50 (# 313:25 Unique 2.84, 3.84 A)
&rst
ixpk= 313, nxpk= 25, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 250, 251,
&end
#
# 18 GLU HB- 18 GLU HG- 2.80 (# 314:25 Unique 2.41, 2.75 A)
&rst
ixpk= 314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 247, 248,
igr2= 250, 251,
&end
#
# 0 AMB 25-2:315 0 AMB 25-1:315 4.50 (# 315:25 Double Ambig)
&rst
ixpk= 315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1708,1709,1708,1709,
igr2= 250, 251, 250, 251,
&end
#
# 110 SER HB- 18 GLU HG- 4.50 (# 316:25 Unique 2.72, 5.38 A)
&rst
ixpk= 316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1708,1709,
igr2= 250, 251,
&end
#
# 109 LEU HA 18 GLU HG- 5.50 (# 319:25 Unique 3.86, 4.94 A)
&rst
ixpk= 319, nxpk= 25, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 18 GLU HA 18 GLU HG+ 3.50 (# 320:25 Unique 2.35, 2.75 A)
&rst
ixpk= 320, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 250, 251,
&end
#
# 18 GLU HA 18 GLU HG- 3.50 (# 321:25 Unique 2.35, 2.75 A)
&rst
ixpk= 321, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 250, 251,
&end
#
# 110 SER HA 18 GLU HG+ 4.50 (# 322:25 Unique 3.02, 4.11 A)
&rst
ixpk= 322, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 110 SER HA 18 GLU HG- 4.50 (# 323:25 Unique 3.02, 4.11 A)
&rst
ixpk= 323, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 18 GLU HN 18 GLU HG+ 4.50 (# 324:25 Unique 4.27, 4.51 A)
&rst
ixpk= 324, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 18 GLU HN 18 GLU HG- 4.50 (# 325:25 Unique 4.27, 4.51 A)
&rst
ixpk= 325, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 110 SER HN 18 GLU HG+ 5.50 (# 326:25 Unique 3.99, 5.47 A)
&rst
ixpk= 326, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 110 SER HN 18 GLU HG- 5.50 (# 327:25 Unique 3.99, 5.47 A)
&rst
ixpk= 327, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 111 LEU HN 18 GLU HG+ 5.50 (# 328:25 Unique 5.07, 5.98 A)
&rst
ixpk= 328, nxpk= 25, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 111 LEU HN 18 GLU HG- 5.50 (# 329:25 Unique 5.07, 5.98 A)
&rst
ixpk= 329, nxpk= 25, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 19 PHE HN 18 GLU HG+ 5.50 (# 330:25 Unique 2.78, 2.95 A)
&rst
ixpk= 330, nxpk= 25, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 19 PHE HN 18 GLU HG- 4.50 (# 331:25 Unique 2.78, 2.95 A)
&rst
ixpk= 331, nxpk= 25, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 20 LEU HN 19 PHE HA 2.80 (# 333:25 Unique 2.12, 2.17 A)
&rst
ixpk= 333, nxpk= 25, iat= 278, 260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 ILE HN 19 PHE HA 5.50 (# 334:25 Unique 3.75, 3.93 A)
&rst
ixpk= 334, nxpk= 25, iat= 443, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 19 PHE HA 4.50 (# 335:25 Unique 2.11, 2.34 A)
&rst
ixpk= 335, nxpk= 25, iat= 474, 260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 ASP HA 19 PHE HA 5.50 (# 336:25 Unique 2.40, 2.68 A)
&rst
ixpk= 336, nxpk= 25, iat= 464, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HB+ 19 PHE HA 3.50 (# 337:25 Unique 2.34, 2.72 A)
&rst
ixpk= 337, nxpk= 25, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 262, 263,
&end
#
# 19 PHE HB- 19 PHE HA 4.50 (# 338:25 Unique 2.34, 2.72 A)
&rst
ixpk= 338, nxpk= 25, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 262, 263,
&end
#
# 0 AMB 25-2:339 19 PHE HA 5.50 (# 339:25 Single Ambig)
&rst
ixpk= 339, nxpk= 25, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1689,1690,1689,1690, 519, 520,1692, 497, 498,
&end
#
# 0 AMB 25-2:340 19 PHE HA 4.50 (# 340:25 Single Ambig)
&rst
ixpk= 340, nxpk= 25, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 480, 481, 482,1675,1676,1677,1679,1680,1681, 487,
488, 489,
&end
#
# 0 AMB 25-2:341 19 PHE HA 5.50 (# 341:25 Single Ambig)
&rst
ixpk= 341, nxpk= 25, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:342 0 AMB 25-1:342 4.50 (# 342:25 Double Ambig)
&rst
ixpk= 342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 258, 278,
igr2= 262, 263, 262, 263,
&end
#
# 0 AMB 25-2:343 19 PHE HB- 4.50 (# 343:25 Single Ambig)
&rst
ixpk= 343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 258, 278,
igr2= 262, 263,
&end
#
# 31 ILE HN 19 PHE HB+ 5.50 (# 344:25 Unique 2.46, 3.42 A)
&rst
ixpk= 344, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 262, 263,
&end
#
# 31 ILE HN 19 PHE HB- 5.50 (# 345:25 Unique 2.46, 3.42 A)
&rst
ixpk= 345, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 262, 263,
&end
#
# 19 PHE HA 19 PHE HB+ 4.50 (# 348:25 Unique 2.34, 2.72 A)
&rst
ixpk= 348, nxpk= 25, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 262, 263,
&end
#
# 19 PHE HA 19 PHE HB- 4.50 (# 349:25 Unique 2.34, 2.72 A)
&rst
ixpk= 349, nxpk= 25, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 262, 263,
&end
#
# 0 AMB 25-2:350 19 PHE HB- 5.50 (# 350:25 Single Ambig)
&rst
ixpk= 350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,2190,2191,2192,2194,2195,2196,
igr2= 262, 263,
&end
#
# 20 LEU HN 20 LEU HA 5.50 (# 351:25 Unique 2.95, 2.98 A)
&rst
ixpk= 351, nxpk= 25, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 VAL HN 20 LEU HA 4.50 (# 353:25 Unique 2.22, 2.29 A)
&rst
ixpk= 353, nxpk= 25, iat= 297, 280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 VAL HA 20 LEU HA 3.50 (# 354:25 Unique 2.21, 2.28 A)
&rst
ixpk= 354, nxpk= 25, iat=1671, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 GLY HA- 20 LEU HA 5.50 (# 355:25 Unique 5.35, 5.93 A)
&rst
ixpk= 355, nxpk= 25, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 20 LEU HG 20 LEU HA 5.50 (# 357:25 Unique 3.13, 3.21 A)
&rst
ixpk= 357, nxpk= 25, iat= 285, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:359 20 LEU HA 4.50 (# 359:25 Single Ambig)
&rst
ixpk= 359, nxpk= 25, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1675,1676,1677,1679,1680,1681, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
&end
#
# 108 VAL MGX 20 LEU HA 5.50 (# 360:25 Unique 2.19, 3.74 A)
&rst
ixpk= 360, nxpk= 25, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 20 LEU HN 20 LEU HB+ 4.50 (# 361:25 Unique 2.25, 2.54 A)
&rst
ixpk= 361, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 282, 283,
&end
#
# 20 LEU HN 20 LEU HB- 4.50 (# 362:25 Unique 2.25, 2.54 A)
&rst
ixpk= 362, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 282, 283,
&end
#
# 20 LEU HA 20 LEU HB- 5.50 (# 365:25 Unique 2.48, 2.78 A)
&rst
ixpk= 365, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 282, 283,
&end
#
# 20 LEU HA 20 LEU HB+ 5.50 (# 366:25 Unique 2.48, 2.78 A)
&rst
ixpk= 366, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 282, 283,
&end
#
# 0 AMB 25-2:367 0 AMB 25-1:367 3.50 (# 367:25 Double Ambig)
&rst
ixpk= 367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 487, 488, 489, 287, 288, 289, 291, 292, 293, 287,
288, 289, 291, 292, 293,1675,1676,1677,1679,1680,
1681,
igr2= 282, 283, 282, 283, 282, 283, 282, 283,
&end
#
# 0 AMB 25-2:368 20 LEU HB- 3.50 (# 368:25 Single Ambig)
&rst
ixpk= 368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 487, 488, 489, 287, 288, 289, 291, 292, 293, 287,
288, 289, 291, 292, 293,1675,1676,1677,1679,1680,
1681,
igr2= 282, 283,
&end
#
# 0 AMB 25-2:369 20 LEU HB- 5.50 (# 369:25 Single Ambig)
&rst
ixpk= 369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 540, 541, 542, 544, 545, 546,1675,1676,1677,1679,
1680,1681,
igr2= 282, 283,
&end
#
# 0 AMB 25-2:370 20 LEU MDX 5.50 (# 370:25 Single Ambig)
&rst
ixpk= 370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 550, 601,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 20 LEU HN 20 LEU MDX 5.50 (# 371:25 Unique 4.59, 5.24 A)
&rst
ixpk= 371, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:372 20 LEU MDX 5.50 (# 372:25 Single Ambig)
&rst
ixpk= 372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 443,1685,1386,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:373 20 LEU MDX 5.50 (# 373:25 Single Ambig)
&rst
ixpk= 373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1630, 582,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 21 VAL HN 20 LEU MDX 5.50 (# 374:25 Unique 2.54, 4.64 A)
&rst
ixpk= 374, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 108 VAL HA 20 LEU MDX 5.50 (# 375:25 Unique 3.50, 5.71 A)
&rst
ixpk= 375, nxpk= 25, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 20 LEU HA 20 LEU MDX 4.50 (# 376:25 Unique 2.35, 3.99 A)
&rst
ixpk= 376, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 33 ILE HA 20 LEU MDX 5.50 (# 377:25 Unique 4.73, 5.92 A)
&rst
ixpk= 377, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 105 VAL HB 20 LEU MDX 5.50 (# 378:25 Unique 2.26, 4.02 A)
&rst
ixpk= 378, nxpk= 25, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:379 20 LEU MDX 2.80 (# 379:25 Single Ambig)
&rst
ixpk= 379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 282, 283,1673,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 20 LEU HG 20 LEU MDX 2.80 (# 380:25 Unique 2.42, 2.67 A)
&rst
ixpk= 380, nxpk= 25, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:381 20 LEU MDX 2.80 (# 381:25 Single Ambig)
&rst
ixpk= 381, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 282, 283, 592, 593, 592, 593,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:382 20 LEU MDX 2.80 (# 382:25 Single Ambig)
&rst
ixpk= 382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 540, 541, 542, 544, 545, 546,1392,1393,1394,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 89 ILE QD1 20 LEU MDX 3.50 (# 383:25 Unique 2.38, 5.11 A)
&rst
ixpk= 383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1399,1400,1401,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 20 LEU HN 20 LEU MDY 5.50 (# 384:25 Unique 4.59, 5.24 A)
&rst
ixpk= 384, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:385 20 LEU MDY 5.50 (# 385:25 Single Ambig)
&rst
ixpk= 385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 443,1685,1386,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 106 SER HN 20 LEU MDY 5.50 (# 386:25 Unique 4.51, 6.11 A)
&rst
ixpk= 386, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:387 20 LEU MDY 5.50 (# 387:25 Single Ambig)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1630, 582,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 21 VAL HN 20 LEU MDY 3.50 (# 388:25 Unique 2.54, 4.64 A)
&rst
ixpk= 388, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:389 20 LEU MDY 5.50 (# 389:25 Single Ambig)
&rst
ixpk= 389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1657,1669,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 105 VAL HA 20 LEU MDY 5.50 (# 390:25 Unique 4.08, 5.42 A)
&rst
ixpk= 390, nxpk= 25, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 108 VAL HA 20 LEU MDY 4.50 (# 391:25 Unique 3.50, 5.71 A)
&rst
ixpk= 391, nxpk= 25, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 20 LEU HA 20 LEU MDY 2.80 (# 392:25 Unique 2.35, 3.99 A)
&rst
ixpk= 392, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:393 20 LEU MDY 5.50 (# 393:25 Single Ambig)
&rst
ixpk= 393, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 317, 318,1650,1651,1650,1651,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 36 VAL HB 20 LEU MDY 5.50 (# 394:25 Unique 4.08, 5.84 A)
&rst
ixpk= 394, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 105 VAL HB 20 LEU MDY 3.50 (# 395:25 Unique 2.26, 4.02 A)
&rst
ixpk= 395, nxpk= 25, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:396 20 LEU MDY 3.50 (# 396:25 Single Ambig)
&rst
ixpk= 396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 282, 283,1673,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 20 LEU HG 20 LEU MDY 2.80 (# 397:25 Unique 2.42, 2.67 A)
&rst
ixpk= 397, nxpk= 25, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:398 20 LEU MDY 2.80 (# 398:25 Single Ambig)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 282, 283, 592, 593, 592, 593,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:399 20 LEU MDY 3.50 (# 399:25 Single Ambig)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 540, 541, 542, 544, 545, 546,1392,1393,1394,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 31 ILE HG1+ 20 LEU MDY 5.50 (# 400:25 Unique 3.62, 7.02 A)
&rst
ixpk= 400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 453, 454,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 89 ILE QD1 20 LEU MDY 5.50 (# 402:25 Unique 2.38, 5.11 A)
&rst
ixpk= 402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1399,1400,1401,
igr2= 287, 288, 289, 291, 292, 293,
&end
#
# 22 PHE HN 21 VAL HA 3.50 (# 403:25 Unique 2.21, 2.25 A)
&rst
ixpk= 403, nxpk= 25, iat= 313, 299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:404 21 VAL HA 4.50 (# 404:25 Single Ambig)
&rst
ixpk= 404, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 443, 415,
&end
#
# 21 VAL HN 21 VAL HA 5.50 (# 405:25 Unique 2.91, 2.95 A)
&rst
ixpk= 405, nxpk= 25, iat= 297, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY HA+ 21 VAL HA 5.50 (# 407:25 Unique 2.02, 2.86 A)
&rst
ixpk= 407, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 30 GLY HA- 21 VAL HA 5.50 (# 409:25 Unique 2.02, 2.86 A)
&rst
ixpk= 409, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 21 VAL HB 21 VAL HA 5.50 (# 410:25 Unique 2.19, 2.29 A)
&rst
ixpk= 410, nxpk= 25, iat= 301, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:411 21 VAL HA 2.80 (# 411:25 Single Ambig)
&rst
ixpk= 411, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:412 21 VAL HA 5.50 (# 412:25 Single Ambig)
&rst
ixpk= 412, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 22 PHE HN 21 VAL HB 5.50 (# 413:25 Unique 2.61, 3.55 A)
&rst
ixpk= 413, nxpk= 25, iat= 313, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 21 VAL HB 5.50 (# 414:25 Unique 4.52, 5.57 A)
&rst
ixpk= 414, nxpk= 25, iat=1646, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY HN 21 VAL HB 4.50 (# 415:25 Unique 5.00, 5.41 A)
&rst
ixpk= 415, nxpk= 25, iat= 436, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HN 21 VAL HB 4.50 (# 416:25 Unique 3.12, 3.41 A)
&rst
ixpk= 416, nxpk= 25, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:417 0 AMB 25-1:417 3.50 (# 417:25 Double Ambig)
&rst
ixpk= 417, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 87,1657,
igr2= 91, 301,
&end
#
# 21 VAL HA 21 VAL HB 5.50 (# 419:25 Unique 2.19, 2.29 A)
&rst
ixpk= 419, nxpk= 25, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 VAL HA 7 VAL HB 3.50 (# 424:25 Unique 2.38, 2.48 A)
&rst
ixpk= 424, nxpk= 25, iat= 89, 91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:425 21 VAL HB 4.50 (# 425:25 Single Ambig)
&rst
ixpk= 425, nxpk= 25, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1650,1651,1650,1651,
&end
#
# 0 AMB 25-2:426 7 VAL HB 2.80 (# 426:25 Single Ambig)
&rst
ixpk= 426, nxpk= 25, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 25-2:427 21 VAL HB 2.80 (# 427:25 Single Ambig)
&rst
ixpk= 427, nxpk= 25, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,1694,1695,1696,1698,1699,1700,1694,1695,
1696,1698,1699,1700,
&end
#
# 22 PHE HN 21 VAL MGY 3.50 (# 429:25 Unique 2.44, 4.28 A)
&rst
ixpk= 429, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:430 0 AMB 25-1:430 4.50 (# 430:25 Double Ambig)
&rst
ixpk= 430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 258, 278,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:431 0 AMB 25-1:431 2.80 (# 431:25 Double Ambig)
&rst
ixpk= 431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1685, 415,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 21 VAL HN 21 VAL MGY 4.50 (# 432:25 Unique 2.12, 3.64 A)
&rst
ixpk= 432, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:433 0 AMB 25-1:433 4.50 (# 433:25 Double Ambig)
&rst
ixpk= 433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 474, 400, 243,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:434 0 AMB 25-1:434 4.50 (# 434:25 Double Ambig)
&rst
ixpk= 434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1657,1669,
igr2= 303, 304, 305, 307, 308, 309,1675,1676,1677,1679,
1680,1681,
&end
#
# 22 PHE HA 21 VAL MGY 5.50 (# 436:25 Unique 3.61, 5.38 A)
&rst
ixpk= 436, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 21 VAL HA 21 VAL MGY 3.50 (# 437:25 Unique 2.42, 3.62 A)
&rst
ixpk= 437, nxpk= 25, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:438 0 AMB 25-1:438 4.50 (# 438:25 Double Ambig)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 260, 245,1632,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 109 LEU HA 0 AMB 25-1:439 4.50 (# 439:25 Single Ambig)
&rst
ixpk= 439, nxpk= 25, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 20 LEU HA 0 AMB 25-1:440 4.50 (# 440:25 Single Ambig)
&rst
ixpk= 440, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:441 21 VAL MGY 4.50 (# 441:25 Single Ambig)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1650,1651,1650,1651,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:442 21 VAL MGY 5.50 (# 442:25 Single Ambig)
&rst
ixpk= 442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1661,1662, 262, 263,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 28 GLU HG+ 21 VAL MGY 3.50 (# 443:25 Unique 3.71, 6.38 A)
&rst
ixpk= 443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 407, 408,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:444 0 AMB 25-1:444 2.80 (# 444:25 Double Ambig)
&rst
ixpk= 444, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 301, 250, 251,
igr2= 303, 304, 305, 307, 308, 309,1675,1676,1677,1679,
1680,1681,
&end
#
# 0 AMB 25-2:445 0 AMB 25-1:445 2.80 (# 445:25 Double Ambig)
&rst
ixpk= 445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 250, 251,1673, 404, 405, 282, 283,
igr2=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:446 0 AMB 25-1:446 2.80 (# 446:25 Double Ambig)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 404, 405, 478,
igr2= 303, 304, 305, 307, 308, 309,1675,1676,1677,1679,
1680,1681,
&end
#
# 40 ARG HN 87 VAL MGY 5.50 (# 447:25 Unique 2.59, 5.21 A)
&rst
ixpk= 447, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1360,1361,1362,1364,1365,1366,
&end
#
# 22 PHE HN 21 VAL MGX 4.50 (# 448:25 Unique 2.44, 4.28 A)
&rst
ixpk= 448, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:449 0 AMB 25-1:449 5.50 (# 449:25 Double Ambig)
&rst
ixpk= 449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 278,1405,
igr2= 303, 304, 305, 307, 308, 309,1360,1361,1362,1364,
1365,1366,
&end
#
# 0 AMB 25-2:450 21 VAL MGX 3.50 (# 450:25 Single Ambig)
&rst
ixpk= 450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 415,1685, 443,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:451 87 VAL MGY 2.80 (# 451:25 Single Ambig)
&rst
ixpk= 451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1370,1630,
igr2=1360,1361,1362,1364,1365,1366,
&end
#
# 21 VAL HN 21 VAL MGX 4.50 (# 452:25 Unique 2.12, 3.64 A)
&rst
ixpk= 452, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:453 0 AMB 25-1:453 5.50 (# 453:25 Double Ambig)
&rst
ixpk= 453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2153,1595, 625,
igr2= 303, 304, 305, 307, 308, 309,1360,1361,1362,1364,
1365,1366,
&end
#
# 0 AMB 25-2:454 0 AMB 25-1:454 5.50 (# 454:25 Double Ambig)
&rst
ixpk= 454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1354,1657,
igr2=1360,1361,1362,1364,1365,1366, 303, 304, 305, 307,
308, 309,
&end
#
# 30 GLY HA+ 21 VAL MGX 5.50 (# 455:25 Unique 2.44, 5.36 A)
&rst
ixpk= 455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 438, 439,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 21 VAL HA 21 VAL MGX 3.50 (# 456:25 Unique 2.42, 3.62 A)
&rst
ixpk= 456, nxpk= 25, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:457 0 AMB 25-1:457 4.50 (# 457:25 Double Ambig)
&rst
ixpk= 457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 603,1671,
igr2=1360,1361,1362,1364,1365,1366, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:458 0 AMB 25-1:458 3.50 (# 458:25 Double Ambig)
&rst
ixpk= 458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 627, 628, 280,
igr2=1360,1361,1362,1364,1365,1366, 303, 304, 305, 307,
308, 309,
&end
#
# 87 VAL HA 87 VAL MGY 2.80 (# 459:25 Unique 2.36, 3.27 A)
&rst
ixpk= 459, nxpk= 25, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1360,1361,1362,1364,1365,1366,
&end
#
# 89 ILE HA 87 VAL MGY 5.50 (# 460:25 Unique 4.22, 6.89 A)
&rst
ixpk= 460, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1360,1361,1362,1364,1365,1366,
&end
#
# 21 VAL HB 21 VAL MGX 2.80 (# 461:25 Unique 2.30, 2.64 A)
&rst
ixpk= 461, nxpk= 25, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:463 0 AMB 25-1:463 3.50 (# 463:25 Double Ambig)
&rst
ixpk= 463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1374,2144,2145, 586, 285,
igr2=1360,1361,1362,1364,1365,1366, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:464 21 VAL MGX 3.50 (# 464:25 Single Ambig)
&rst
ixpk= 464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1692,1689,1690,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 107 ASP HB+ 21 VAL MGX 5.50 (# 466:25 Unique 2.57, 5.02 A)
&rst
ixpk= 466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1661,1662,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 0 AMB 25-2:467 21 VAL MGX 4.50 (# 467:25 Single Ambig)
&rst
ixpk= 467, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1661,1662, 262, 263,
igr2= 303, 304, 305, 307, 308, 309,
&end
#
# 22 PHE HN 22 PHE HA 5.50 (# 468:25 Unique 2.94, 2.95 A)
&rst
ixpk= 468, nxpk= 25, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 SER HN 22 PHE HA 3.50 (# 469:25 Unique 1.79, 1.90 A)
&rst
ixpk= 469, nxpk= 25, iat=1646, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 THR HN 22 PHE HA 3.50 (# 470:25 Unique 2.16, 2.22 A)
&rst
ixpk= 470, nxpk= 25, iat= 333, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 VAL HA 22 PHE HA 3.50 (# 472:25 Unique 2.09, 2.17 A)
&rst
ixpk= 472, nxpk= 25, iat=1632, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:473 22 PHE HA 3.50 (# 473:25 Single Ambig)
&rst
ixpk= 473, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 317, 318,1650,1651,
&end
#
# 22 PHE HB- 22 PHE HA 3.50 (# 474:25 Unique 2.37, 2.43 A)
&rst
ixpk= 474, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 317, 318,
&end
#
# 105 VAL HB 22 PHE HA 5.50 (# 475:25 Unique 4.24, 4.35 A)
&rst
ixpk= 475, nxpk= 25, iat=1634, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:476 22 PHE HA 3.50 (# 476:25 Single Ambig)
&rst
ixpk= 476, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1636,1637,1638,1640,1641,1642,1636,1637,1638,1640,
1641,1642,
&end
#
# 0 AMB 25-2:477 22 PHE HA 4.50 (# 477:25 Single Ambig)
&rst
ixpk= 477, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 303, 304, 305, 307, 308, 309, 419, 420,
&end
#
# 102 VAL MGX 22 PHE HA 5.50 (# 478:25 Unique 4.65, 6.30 A)
&rst
ixpk= 478, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:479 22 PHE HA 5.50 (# 479:25 Single Ambig)
&rst
ixpk= 479, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1399,1400,1401,2190,2191,2192,2194,2195,2196,
&end
#
# 23 THR HN 22 PHE HB+ 4.50 (# 480:25 Unique 2.54, 3.34 A)
&rst
ixpk= 480, nxpk= 25, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 317, 318,
&end
#
# 23 THR HN 22 PHE HB- 5.50 (# 481:25 Unique 2.54, 3.34 A)
&rst
ixpk= 481, nxpk= 25, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 317, 318,
&end
#
# 22 PHE HA 22 PHE HB- 4.50 (# 486:25 Unique 2.37, 2.43 A)
&rst
ixpk= 486, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 317, 318,
&end
#
# 22 PHE HA 22 PHE HB+ 4.50 (# 487:25 Unique 2.37, 2.43 A)
&rst
ixpk= 487, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 317, 318,
&end
#
# 105 VAL HA 22 PHE HB+ 5.50 (# 488:25 Unique 2.30, 2.59 A)
&rst
ixpk= 488, nxpk= 25, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 317, 318,
&end
#
# 105 VAL HA 22 PHE HB- 5.50 (# 489:25 Unique 2.30, 2.59 A)
&rst
ixpk= 489, nxpk= 25, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 317, 318,
&end
#
# 0 AMB 25-2:492 22 PHE HB- 4.50 (# 492:25 Single Ambig)
&rst
ixpk= 492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1636,1637,1638,1640,1641,1642,1636,1637,1638,1640,
1641,1642,
igr2= 317, 318,
&end
#
# 0 AMB 25-2:493 0 AMB 25-1:493 4.50 (# 493:25 Double Ambig)
&rst
ixpk= 493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1636,1637,1638,1640,1641,1642,1636,1637,1638,1640,
1641,1642,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 25-2:494 0 AMB 25-1:494 5.50 (# 494:25 Double Ambig)
&rst
ixpk= 494, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 419, 420, 303, 304, 305, 307, 308, 309,
igr2= 317, 318, 317, 318,
&end
#
# 0 AMB 25-2:495 22 PHE HB- 5.50 (# 495:25 Single Ambig)
&rst
ixpk= 495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 419, 420, 303, 304, 305, 307, 308, 309,
igr2= 317, 318,
&end
#
# 102 VAL MGX 22 PHE HB- 4.50 (# 496:25 Unique 2.37, 4.46 A)
&rst
ixpk= 496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1601,1602,1603,1605,1606,1607,
igr2= 317, 318,
&end
#
# 102 VAL MGX 22 PHE HB+ 4.50 (# 497:25 Unique 2.37, 4.46 A)
&rst
ixpk= 497, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1601,1602,1603,1605,1606,1607,
igr2= 317, 318,
&end
#
# 89 ILE QD1 22 PHE HB+ 5.50 (# 498:25 Unique 2.27, 3.63 A)
&rst
ixpk= 498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1399,1400,1401,
igr2= 317, 318,
&end
#
# 89 ILE QD1 22 PHE HB- 4.50 (# 499:25 Unique 2.27, 3.63 A)
&rst
ixpk= 499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1399,1400,1401,
igr2= 317, 318,
&end
#
# 102 VAL MGY 22 PHE HB- 5.50 (# 500:25 Unique 2.37, 4.46 A)
&rst
ixpk= 500, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1601,1602,1603,1605,1606,1607,
igr2= 317, 318,
&end
#
# 102 VAL MGY 22 PHE HB+ 5.50 (# 501:25 Unique 2.37, 4.46 A)
&rst
ixpk= 501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1601,1602,1603,1605,1606,1607,
igr2= 317, 318,
&end
#
# 29 TYR HN 23 THR HA 5.50 (# 502:25 Unique 3.66, 3.78 A)
&rst
ixpk= 502, nxpk= 25, iat= 415, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 THR HN 23 THR HA 5.50 (# 503:25 Unique 2.92, 2.96 A)
&rst
ixpk= 503, nxpk= 25, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HN 23 THR HA 2.80 (# 504:25 Unique 2.21, 2.26 A)
&rst
ixpk= 504, nxpk= 25, iat= 347, 335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 TYR HE 23 THR HA 5.50 (# 505:25 Unique 4.45, 7.96 A)
&rst
ixpk= 505, nxpk= 25, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 425, 430,
&end
#
# 28 GLU HA 23 THR HA 3.50 (# 506:25 Unique 2.34, 2.45 A)
&rst
ixpk= 506, nxpk= 25, iat= 402, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 THR HB 23 THR HA 4.50 (# 507:25 Unique 3.04, 3.05 A)
&rst
ixpk= 507, nxpk= 25, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLU HG+ 23 THR HA 5.50 (# 509:25 Unique 2.13, 3.09 A)
&rst
ixpk= 509, nxpk= 25, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 407, 408,
&end
#
# 28 GLU HG- 23 THR HA 5.50 (# 510:25 Unique 2.13, 3.09 A)
&rst
ixpk= 510, nxpk= 25, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 407, 408,
&end
#
# 27 GLU HB- 23 THR HA 5.50 (# 511:25 Unique 5.32, 6.09 A)
&rst
ixpk= 511, nxpk= 25, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 389, 390,
&end
#
# 23 THR MG2 23 THR HA 3.50 (# 512:25 Unique 2.45, 3.13 A)
&rst
ixpk= 512, nxpk= 25, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 339, 340, 341,
&end
#
# 23 THR HN 23 THR HB 4.50 (# 513:25 Unique 2.44, 2.48 A)
&rst
ixpk= 513, nxpk= 25, iat= 333, 337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 23 THR HB 5.50 (# 514:25 Unique 3.83, 3.97 A)
&rst
ixpk= 514, nxpk= 25, iat= 347, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ASP HN 23 THR HB 5.50 (# 515:25 Unique 4.23, 4.71 A)
&rst
ixpk= 515, nxpk= 25, iat=1611, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLY HN 23 THR HB 5.50 (# 516:25 Unique 3.20, 3.46 A)
&rst
ixpk= 516, nxpk= 25, iat=1623, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:517 23 THR HB 5.50 (# 517:25 Single Ambig)
&rst
ixpk= 517, nxpk= 25, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 329,1218,1219,
&end
#
# 23 THR HA 23 THR HB 4.50 (# 518:25 Unique 3.04, 3.05 A)
&rst
ixpk= 518, nxpk= 25, iat= 335, 337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:519 23 THR HB 5.50 (# 519:25 Single Ambig)
&rst
ixpk= 519, nxpk= 25, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1613, 402,
&end
#
# 0 AMB 25-2:520 23 THR HB 4.50 (# 520:25 Single Ambig)
&rst
ixpk= 520, nxpk= 25, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1615,1616,1615,1616,
&end
#
# 23 THR MG2 23 THR HB 2.80 (# 521:25 Unique 2.44, 2.67 A)
&rst
ixpk= 521, nxpk= 25, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 339, 340, 341,
&end
#
# 25 GLY HN 23 THR MG2 5.50 (# 523:25 Unique 2.35, 4.13 A)
&rst
ixpk= 523, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 339, 340, 341,
&end
#
# 29 TYR HN 23 THR MG2 5.50 (# 524:25 Unique 5.81, 6.78 A)
&rst
ixpk= 524, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 339, 340, 341,
&end
#
# 0 AMB 25-2:525 23 THR MG2 4.50 (# 525:25 Single Ambig)
&rst
ixpk= 525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 373, 333,
igr2= 339, 340, 341,
&end
#
# 24 LEU HN 23 THR MG2 3.50 (# 526:25 Unique 2.55, 3.20 A)
&rst
ixpk= 526, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 339, 340, 341,
&end
#
# 0 AMB 25-2:527 23 THR MG2 5.50 (# 527:25 Single Ambig)
&rst
ixpk= 527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1611, 400,
igr2= 339, 340, 341,
&end
#
# 27 GLU HN 23 THR MG2 5.50 (# 528:25 Unique 3.41, 4.98 A)
&rst
ixpk= 528, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 339, 340, 341,
&end
#
# 22 PHE HA 23 THR MG2 5.50 (# 529:25 Unique 6.28, 6.54 A)
&rst
ixpk= 529, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 339, 340, 341,
&end
#
# 23 THR HA 23 THR MG2 3.50 (# 530:25 Unique 2.45, 3.13 A)
&rst
ixpk= 530, nxpk= 25, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 339, 340, 341,
&end
#
# 0 AMB 25-2:532 23 THR MG2 3.50 (# 532:25 Single Ambig)
&rst
ixpk= 532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 349, 402,
igr2= 339, 340, 341,
&end
#
# 23 THR HB 23 THR MG2 2.80 (# 533:25 Unique 2.44, 2.67 A)
&rst
ixpk= 533, nxpk= 25, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 339, 340, 341,
&end
#
# 0 AMB 25-2:534 23 THR MG2 5.50 (# 534:25 Single Ambig)
&rst
ixpk= 534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 368, 369,1650,1651,
igr2= 339, 340, 341,
&end
#
# 0 AMB 25-2:535 23 THR MG2 4.50 (# 535:25 Single Ambig)
&rst
ixpk= 535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1615,1616,1615,1616,
igr2= 339, 340, 341,
&end
#
# 28 GLU HG+ 23 THR MG2 2.80 (# 536:25 Unique 2.97, 4.54 A)
&rst
ixpk= 536, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 407, 408,
igr2= 339, 340, 341,
&end
#
# 28 GLU HB+ 23 THR MG2 4.50 (# 537:25 Unique 5.36, 6.74 A)
&rst
ixpk= 537, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 404, 405,
igr2= 339, 340, 341,
&end
#
# 28 GLU HG- 23 THR MG2 2.80 (# 538:25 Unique 2.97, 4.54 A)
&rst
ixpk= 538, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 407, 408,
igr2= 339, 340, 341,
&end
#
# 28 GLU HB- 23 THR MG2 4.50 (# 539:25 Unique 5.36, 6.74 A)
&rst
ixpk= 539, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 404, 405,
igr2= 339, 340, 341,
&end
#
# 26 ASP HA 23 THR MG2 3.50 (# 540:25 Unique 3.32, 4.05 A)
&rst
ixpk= 540, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 339, 340, 341,
&end
#
# 24 LEU HN 24 LEU HB+ 5.50 (# 541:25 Unique 2.69, 2.99 A)
&rst
ixpk= 541, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 351, 352,
&end
#
# 24 LEU HN 24 LEU HB- 5.50 (# 542:25 Unique 2.69, 2.99 A)
&rst
ixpk= 542, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 351, 352,
&end
#
# 22 PHE HE 24 LEU HB+ 5.50 (# 544:25 Unique 2.33, 5.15 A)
&rst
ixpk= 544, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 323, 327,
igr2= 351, 352,
&end
#
# 0 AMB 25-2:545 24 LEU HB- 5.50 (# 545:25 Single Ambig)
&rst
ixpk= 545, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 323, 327, 423, 432,
igr2= 351, 352,
&end
#
# 29 TYR HE 24 LEU HB+ 5.50 (# 548:25 Unique 2.15, 5.11 A)
&rst
ixpk= 548, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 425, 430,
igr2= 351, 352,
&end
#
# 29 TYR HE 24 LEU HB- 5.50 (# 549:25 Unique 2.15, 5.11 A)
&rst
ixpk= 549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 425, 430,
igr2= 351, 352,
&end
#
# 24 LEU HA 24 LEU HB+ 4.50 (# 550:25 Unique 2.42, 2.78 A)
&rst
ixpk= 550, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 351, 352,
&end
#
# 24 LEU HA 24 LEU HB- 4.50 (# 551:25 Unique 2.42, 2.78 A)
&rst
ixpk= 551, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 351, 352,
&end
#
# 24 LEU MDX 24 LEU HB+ 2.80 (# 552:25 Unique 2.34, 3.37 A)
&rst
ixpk= 552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 356, 357, 358, 360, 361, 362,
igr2= 351, 352,
&end
#
# 24 LEU MDX 24 LEU HB- 3.50 (# 553:25 Unique 2.34, 3.37 A)
&rst
ixpk= 553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 356, 357, 358, 360, 361, 362,
igr2= 351, 352,
&end
#
# 24 LEU MDY 24 LEU HB+ 2.80 (# 554:25 Unique 2.34, 3.37 A)
&rst
ixpk= 554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 356, 357, 358, 360, 361, 362,
igr2= 351, 352,
&end
#
# 24 LEU MDY 24 LEU HB- 3.50 (# 555:25 Unique 2.34, 3.37 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 356, 357, 358, 360, 361, 362,
igr2= 351, 352,
&end
#
# 25 GLY HN 24 LEU MDX 5.50 (# 556:25 Unique 2.65, 5.31 A)
&rst
ixpk= 556, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:557 24 LEU MDX 5.50 (# 557:25 Single Ambig)
&rst
ixpk= 557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1091, 347,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 103 ASP HN 24 LEU MDX 4.50 (# 558:25 Unique 1.93, 4.99 A)
&rst
ixpk= 558, nxpk= 25, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:559 24 LEU MDX 5.50 (# 559:25 Single Ambig)
&rst
ixpk= 559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 385,1251,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 77 GLN HE2+ 24 LEU MDX 5.50 (# 560:25 Unique 2.35, 5.52 A)
&rst
ixpk= 560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1218,1219,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 75 PHE HE 24 LEU MDX 5.50 (# 561:25 Unique 2.49, 6.88 A)
&rst
ixpk= 561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1185,1189,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 85 ASN HD2- 24 LEU MDX 5.50 (# 562:25 Unique 1.91, 5.94 A)
&rst
ixpk= 562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1335,1336,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:563 24 LEU MDX 5.50 (# 563:25 Single Ambig)
&rst
ixpk= 563, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 323, 327, 423, 432,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 24 LEU HA 24 LEU MDX 3.50 (# 565:25 Unique 2.12, 3.73 A)
&rst
ixpk= 565, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 102 VAL HA 24 LEU MDX 3.50 (# 566:25 Unique 2.20, 4.49 A)
&rst
ixpk= 566, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 25 GLY HA+ 24 LEU MDX 4.50 (# 568:25 Unique 2.75, 6.32 A)
&rst
ixpk= 568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 368, 369,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:572 24 LEU MDX 5.50 (# 572:25 Single Ambig)
&rst
ixpk= 572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1615,1616,1615,1616,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 102 VAL HB 24 LEU MDX 4.50 (# 573:25 Unique 2.67, 5.81 A)
&rst
ixpk= 573, nxpk= 25, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:574 24 LEU MDX 5.50 (# 574:25 Single Ambig)
&rst
ixpk= 574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1213,1214,1213,1214, 389, 390,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:576 24 LEU MDX 2.80 (# 576:25 Single Ambig)
&rst
ixpk= 576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 351, 352,1255,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 102 VAL MGY 24 LEU MDX 4.50 (# 579:25 Unique 2.32, 6.66 A)
&rst
ixpk= 579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1601,1602,1603,1605,1606,1607,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 25 GLY HN 24 LEU MDY 5.50 (# 580:25 Unique 2.65, 5.31 A)
&rst
ixpk= 580, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:581 24 LEU MDY 5.50 (# 581:25 Single Ambig)
&rst
ixpk= 581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1091, 347,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:583 24 LEU MDY 5.50 (# 583:25 Single Ambig)
&rst
ixpk= 583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1218,1219, 321, 329,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 22 PHE HE 24 LEU MDY 4.50 (# 584:25 Unique 2.17, 5.89 A)
&rst
ixpk= 584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 323, 327,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 85 ASN HD2- 24 LEU MDY 4.50 (# 585:25 Unique 1.91, 5.94 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1336,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 29 TYR HE 24 LEU MDY 4.50 (# 587:25 Unique 2.26, 5.91 A)
&rst
ixpk= 587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 425, 430,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 24 LEU HA 24 LEU MDY 4.50 (# 588:25 Unique 2.12, 3.73 A)
&rst
ixpk= 588, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 102 VAL HA 24 LEU MDY 4.50 (# 589:25 Unique 2.20, 4.49 A)
&rst
ixpk= 589, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:590 24 LEU MDY 4.50 (# 590:25 Single Ambig)
&rst
ixpk= 590, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1112,1093,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 77 GLN HB+ 24 LEU MDY 5.50 (# 591:25 Unique 2.25, 4.80 A)
&rst
ixpk= 591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1210,1211,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 24 LEU HB+ 24 LEU MDY 2.80 (# 592:25 Unique 2.34, 3.37 A)
&rst
ixpk= 592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 351, 352,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 0 AMB 25-2:593 24 LEU MDY 2.80 (# 593:25 Single Ambig)
&rst
ixpk= 593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 354, 389, 390,1098,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 75 PHE HE 24 LEU MDY 5.50 (# 594:25 Unique 2.49, 6.88 A)
&rst
ixpk= 594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1185,1189,
igr2= 356, 357, 358, 360, 361, 362,
&end
#
# 25 GLY HN 25 GLY HA+ 3.50 (# 595:25 Unique 2.27, 2.58 A)
&rst
ixpk= 595, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 25 GLY HN 25 GLY HA- 3.50 (# 596:25 Unique 2.27, 2.58 A)
&rst
ixpk= 596, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 26 ASP HN 25 GLY HA+ 2.80 (# 597:25 Unique 2.47, 3.09 A)
&rst
ixpk= 597, nxpk= 25, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 368, 369,
&end
#
# 26 ASP HN 25 GLY HA- 3.50 (# 598:25 Unique 2.47, 3.09 A)
&rst
ixpk= 598, nxpk= 25, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 368, 369,
&end
#
# 0 AMB 25-2:599 0 AMB 25-1:599 2.80 (# 599:25 Double Ambig)
&rst
ixpk= 599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2121,2128,
igr2=2123,2124,2123,2124,
&end
#
# 0 AMB 25-2:600 0 AMB 25-1:600 5.50 (# 600:25 Double Ambig)
&rst
ixpk= 600, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 385,2140,1251,
igr2= 368, 369,2123,2124, 368, 369,
&end
#
# 0 AMB 25-2:601 25 GLY HA- 5.50 (# 601:25 Single Ambig)
&rst
ixpk= 601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 385,1251,
igr2= 368, 369,
&end
#
# 84 ASP HB- 25 GLY HA+ 5.50 (# 608:25 Unique 3.30, 8.48 A)
&rst
ixpk= 608, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,
igr2= 368, 369,
&end
#
# 0 AMB 25-2:609 25 GLY HA- 5.50 (# 609:25 Single Ambig)
&rst
ixpk= 609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1615,1616,1615,1616,
igr2= 368, 369,
&end
#
# 0 AMB 25-2:611 0 AMB 25-1:611 4.50 (# 611:25 Double Ambig)
&rst
ixpk= 611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
igr2= 368, 369, 368, 369,
&end
#
# 79 ASP HN 79 ASP HA 3.50 (# 613:25 Unique 2.46, 2.80 A)
&rst
ixpk= 613, nxpk= 25, iat=1239,1241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HN 79 ASP HA 3.50 (# 615:25 Unique 2.04, 2.33 A)
&rst
ixpk= 615, nxpk= 25, iat=1251,1241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ASP HB+ 79 ASP HA 2.80 (# 616:25 Unique 2.42, 2.75 A)
&rst
ixpk= 616, nxpk= 25, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1243,1244,
&end
#
# 79 ASP HB- 79 ASP HA 3.50 (# 617:25 Unique 2.42, 2.75 A)
&rst
ixpk= 617, nxpk= 25, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1243,1244,
&end
#
# 0 AMB 25-2:618 79 ASP HA 4.50 (# 618:25 Single Ambig)
&rst
ixpk= 618, nxpk= 25, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
&end
#
# 0 AMB 25-2:619 79 ASP HA 5.50 (# 619:25 Single Ambig)
&rst
ixpk= 619, nxpk= 25, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 79 ASP HN 79 ASP HB+ 3.50 (# 622:25 Unique 2.99, 3.42 A)
&rst
ixpk= 622, nxpk= 25, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1243,1244,
&end
#
# 79 ASP HN 79 ASP HB- 3.50 (# 623:25 Unique 2.99, 3.42 A)
&rst
ixpk= 623, nxpk= 25, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1243,1244,
&end
#
# 80 VAL HN 79 ASP HB+ 4.50 (# 624:25 Unique 4.06, 4.48 A)
&rst
ixpk= 624, nxpk= 25, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1243,1244,
&end
#
# 80 VAL HN 79 ASP HB- 4.50 (# 625:25 Unique 4.06, 4.48 A)
&rst
ixpk= 625, nxpk= 25, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1243,1244,
&end
#
# 0 AMB 25-2:626 0 AMB 25-1:626 2.80 (# 626:25 Double Ambig)
&rst
ixpk= 626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2130,1241,
igr2=2132,2133,1243,1244,
&end
#
# 0 AMB 25-2:627 0 AMB 25-1:627 2.80 (# 627:25 Double Ambig)
&rst
ixpk= 627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2130,1241,
igr2=2132,2133,1243,1244,
&end
#
# 0 AMB 25-2:630 0 AMB 25-1:630 5.50 (# 630:25 Double Ambig)
&rst
ixpk= 630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
igr2=1243,1244,1243,1244,
&end
#
# 0 AMB 25-2:631 79 ASP HB- 5.50 (# 631:25 Single Ambig)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
igr2=1243,1244,
&end
#
# 0 AMB 25-2:632 79 ASP HB- 5.50 (# 632:25 Single Ambig)
&rst
ixpk= 632, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
igr2=1243,1244,
&end
#
# 140 ARG HD+ 139 ASP HB- 5.50 (# 633:25 Unique 4.95, 7.09 A)
&rst
ixpk= 633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2150,2151,
igr2=2132,2133,
&end
#
# 26 ASP HN 27 GLU HA 5.50 (# 634:25 Unique 4.38, 4.49 A)
&rst
ixpk= 634, nxpk= 25, iat= 373, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLU HN 27 GLU HA 2.80 (# 635:25 Unique 2.42, 2.50 A)
&rst
ixpk= 635, nxpk= 25, iat= 400, 387, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 GLU HN 27 GLU HA 3.50 (# 636:25 Unique 2.86, 2.88 A)
&rst
ixpk= 636, nxpk= 25, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:637 27 GLU HA 2.80 (# 637:25 Single Ambig)
&rst
ixpk= 637, nxpk= 25, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 389, 390, 392, 393, 392, 393,
&end
#
# 0 AMB 25-2:638 27 GLU HA 5.50 (# 638:25 Single Ambig)
&rst
ixpk= 638, nxpk= 25, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 407, 408, 351, 352,
&end
#
# 27 GLU HB- 27 GLU HA 3.50 (# 639:25 Unique 2.45, 2.78 A)
&rst
ixpk= 639, nxpk= 25, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 389, 390,
&end
#
# 28 GLU HN 27 GLU HB+ 5.50 (# 640:25 Unique 2.04, 3.62 A)
&rst
ixpk= 640, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 389, 390,
&end
#
# 28 GLU HN 27 GLU HB- 4.50 (# 641:25 Unique 2.04, 3.62 A)
&rst
ixpk= 641, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 389, 390,
&end
#
# 27 GLU HN 27 GLU HB+ 4.50 (# 642:25 Unique 2.12, 2.58 A)
&rst
ixpk= 642, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 389, 390,
&end
#
# 27 GLU HN 27 GLU HB- 4.50 (# 643:25 Unique 2.12, 2.58 A)
&rst
ixpk= 643, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 389, 390,
&end
#
# 29 TYR HD 27 GLU HB- 5.50 (# 645:25 Unique 3.03, 5.91 A)
&rst
ixpk= 645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 423, 432,
igr2= 389, 390,
&end
#
# 29 TYR HE 27 GLU HB- 5.50 (# 646:25 Unique 2.16, 5.13 A)
&rst
ixpk= 646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 425, 430,
igr2= 389, 390,
&end
#
# 29 TYR HE 27 GLU HB+ 5.50 (# 647:25 Unique 2.16, 5.13 A)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 425, 430,
igr2= 389, 390,
&end
#
# 27 GLU HA 27 GLU HB- 4.50 (# 651:25 Unique 2.45, 2.78 A)
&rst
ixpk= 651, nxpk= 25, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 389, 390,
&end
#
# 27 GLU HA 27 GLU HB+ 3.50 (# 652:25 Unique 2.45, 2.78 A)
&rst
ixpk= 652, nxpk= 25, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 389, 390,
&end
#
# 143 ILE QD1 27 GLU HB+ 5.50 (# 653:25 Unique 2.84, 5.29 A)
&rst
ixpk= 653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2213,2214,2215,
igr2= 389, 390,
&end
#
# 143 ILE QD1 27 GLU HB- 4.50 (# 654:25 Unique 2.84, 5.29 A)
&rst
ixpk= 654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2213,2214,2215,
igr2= 389, 390,
&end
#
# 28 GLU HN 0 AMB 25-1:656 4.50 (# 656:25 Single Ambig)
&rst
ixpk= 656, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 392, 393, 392, 393,
&end
#
# 27 GLU HN 0 AMB 25-1:657 4.50 (# 657:25 Single Ambig)
&rst
ixpk= 657, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 392, 393, 392, 393,
&end
#
# 28 GLU HA 0 AMB 25-1:658 4.50 (# 658:25 Single Ambig)
&rst
ixpk= 658, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 392, 393, 392, 393,
&end
#
# 27 GLU HA 0 AMB 25-1:659 2.80 (# 659:25 Single Ambig)
&rst
ixpk= 659, nxpk= 25, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 392, 393, 392, 393,
&end
#
# 165 GLU HA 0 AMB 25-1:660 4.50 (# 660:25 Single Ambig)
&rst
ixpk= 660, nxpk= 25, iat=2538, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2543,2544,2543,2544,
&end
#
# 27 GLU HB- 0 AMB 25-1:663 2.80 (# 663:25 Single Ambig)
&rst
ixpk= 663, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 389, 390,
igr2= 392, 393, 392, 393,
&end
#
# 0 AMB 25-2:664 0 AMB 25-1:664 4.50 (# 664:25 Double Ambig)
&rst
ixpk= 664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1=2557,2558,2559,2561,2562,2563, 356, 357, 358, 360,
361, 362,
igr2=2543,2544,2543,2544, 392, 393, 392, 393,
&end
#
# 143 ILE QD1 0 AMB 25-1:665 4.50 (# 665:25 Single Ambig)
&rst
ixpk= 665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2213,2214,2215,
igr2= 392, 393, 392, 393,
&end
#
# 28 GLU HA 28 GLU HB+ 4.50 (# 666:25 Unique 2.50, 2.80 A)
&rst
ixpk= 666, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 28 GLU HA 28 GLU HB- 4.50 (# 667:25 Unique 2.50, 2.80 A)
&rst
ixpk= 667, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 29 TYR HN 28 GLU HB+ 4.50 (# 668:25 Unique 2.54, 3.51 A)
&rst
ixpk= 668, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 29 TYR HN 28 GLU HB- 5.50 (# 669:25 Unique 2.54, 3.51 A)
&rst
ixpk= 669, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 28 GLU HN 28 GLU HB+ 3.50 (# 671:25 Unique 2.36, 3.21 A)
&rst
ixpk= 671, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 404, 405,
&end
#
# 28 GLU HN 28 GLU HB- 4.50 (# 672:25 Unique 2.36, 3.21 A)
&rst
ixpk= 672, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 0 AMB 25-2:673 0 AMB 25-1:673 5.50 (# 673:25 Double Ambig)
&rst
ixpk= 673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2= 404, 405, 404, 405,
&end
#
# 0 AMB 25-2:674 28 GLU HB- 5.50 (# 674:25 Single Ambig)
&rst
ixpk= 674, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2= 404, 405,
&end
#
# 21 VAL MGY 28 GLU HB- 2.80 (# 675:25 Unique 2.56, 5.65 A)
&rst
ixpk= 675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 404, 405,
&end
#
# 29 TYR HN 28 GLU HG+ 5.50 (# 677:25 Unique 3.23, 4.30 A)
&rst
ixpk= 677, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 29 TYR HN 28 GLU HG- 5.50 (# 678:25 Unique 3.23, 4.30 A)
&rst
ixpk= 678, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 28 GLU HN 28 GLU HG- 5.50 (# 679:25 Unique 3.24, 3.94 A)
&rst
ixpk= 679, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 28 GLU HN 28 GLU HG+ 4.50 (# 680:25 Unique 3.24, 3.94 A)
&rst
ixpk= 680, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 407, 408,
&end
#
# 28 GLU HA 28 GLU HG+ 4.50 (# 681:25 Unique 2.29, 2.67 A)
&rst
ixpk= 681, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 407, 408,
&end
#
# 28 GLU HA 28 GLU HG- 4.50 (# 682:25 Unique 2.29, 2.67 A)
&rst
ixpk= 682, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 407, 408,
&end
#
# 27 GLU HA 28 GLU HG+ 5.50 (# 683:25 Unique 3.79, 4.82 A)
&rst
ixpk= 683, nxpk= 25, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 27 GLU HA 28 GLU HG- 5.50 (# 684:25 Unique 3.79, 4.82 A)
&rst
ixpk= 684, nxpk= 25, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 28 GLU HB- 28 GLU HG+ 3.50 (# 685:25 Unique 2.29, 2.76 A)
&rst
ixpk= 685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 404, 405,
igr2= 407, 408,
&end
#
# 28 GLU HB- 28 GLU HG- 3.50 (# 686:25 Unique 2.29, 2.76 A)
&rst
ixpk= 686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 404, 405,
igr2= 407, 408,
&end
#
# 23 THR MG2 28 GLU HG+ 4.50 (# 687:25 Unique 2.97, 4.54 A)
&rst
ixpk= 687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 339, 340, 341,
igr2= 407, 408,
&end
#
# 23 THR MG2 28 GLU HG- 3.50 (# 688:25 Unique 2.97, 4.54 A)
&rst
ixpk= 688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 339, 340, 341,
igr2= 407, 408,
&end
#
# 0 AMB 25-2:689 0 AMB 25-1:689 5.50 (# 689:25 Double Ambig)
&rst
ixpk= 689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 303, 304, 305, 307, 308, 309, 419, 420,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 25-2:690 28 GLU HG- 4.50 (# 690:25 Single Ambig)
&rst
ixpk= 690, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
igr2= 407, 408,
&end
#
# 0 AMB 25-2:691 0 AMB 25-1:691 5.50 (# 691:25 Double Ambig)
&rst
ixpk= 691, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2= 407, 408, 407, 408,
&end
#
# 0 AMB 25-2:692 28 GLU HG- 5.50 (# 692:25 Single Ambig)
&rst
ixpk= 692, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2= 407, 408,
&end
#
# 23 THR HA 28 GLU HG- 5.50 (# 693:25 Unique 2.13, 3.09 A)
&rst
ixpk= 693, nxpk= 25, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 30 GLY HN 29 TYR HA 3.50 (# 694:25 Unique 2.26, 2.32 A)
&rst
ixpk= 694, nxpk= 25, iat= 436, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 ILE HN 29 TYR HA 4.50 (# 695:25 Unique 1.86, 2.01 A)
&rst
ixpk= 695, nxpk= 25, iat=2200, 417, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 TYR HE 29 TYR HA 5.50 (# 697:25 Unique 4.76, 5.30 A)
&rst
ixpk= 697, nxpk= 25, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 425, 430,
&end
#
# 29 TYR HB+ 29 TYR HA 4.50 (# 698:25 Unique 2.50, 2.82 A)
&rst
ixpk= 698, nxpk= 25, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 419, 420,
&end
#
# 0 AMB 25-2:699 29 TYR HA 4.50 (# 699:25 Single Ambig)
&rst
ixpk= 699, nxpk= 25, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2204,2210,2211,
&end
#
# 0 AMB 25-2:700 29 TYR HA 5.50 (# 700:25 Single Ambig)
&rst
ixpk= 700, nxpk= 25, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2185,2186,2185,2186,
&end
#
# 29 TYR HB- 29 TYR HA 4.50 (# 701:25 Unique 2.50, 2.82 A)
&rst
ixpk= 701, nxpk= 25, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 419, 420,
&end
#
# 0 AMB 25-2:702 29 TYR HA 4.50 (# 702:25 Single Ambig)
&rst
ixpk= 702, nxpk= 25, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 29 TYR HN 29 TYR HB+ 4.50 (# 703:25 Unique 2.40, 3.06 A)
&rst
ixpk= 703, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 419, 420,
&end
#
# 29 TYR HN 29 TYR HB- 4.50 (# 704:25 Unique 2.40, 3.06 A)
&rst
ixpk= 704, nxpk= 25, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 419, 420,
&end
#
# 30 GLY HN 29 TYR HB+ 5.50 (# 705:25 Unique 2.53, 3.36 A)
&rst
ixpk= 705, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 419, 420,
&end
#
# 30 GLY HN 29 TYR HB- 5.50 (# 706:25 Unique 2.53, 3.36 A)
&rst
ixpk= 706, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 419, 420,
&end
#
# 143 ILE HN 29 TYR HB+ 5.50 (# 707:25 Unique 4.12, 4.68 A)
&rst
ixpk= 707, nxpk= 25, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 419, 420,
&end
#
# 29 TYR HD 29 TYR HB+ 4.50 (# 709:25 Unique 2.26, 3.07 A)
&rst
ixpk= 709, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 423, 432,
igr2= 419, 420,
&end
#
# 29 TYR HD 29 TYR HB- 4.50 (# 710:25 Unique 2.26, 3.07 A)
&rst
ixpk= 710, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 423, 432,
igr2= 419, 420,
&end
#
# 29 TYR HE 29 TYR HB- 4.50 (# 711:25 Unique 4.57, 5.08 A)
&rst
ixpk= 711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 425, 430,
igr2= 419, 420,
&end
#
# 29 TYR HE 29 TYR HB+ 4.50 (# 712:25 Unique 4.57, 5.08 A)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 425, 430,
igr2= 419, 420,
&end
#
# 29 TYR HA 29 TYR HB+ 4.50 (# 713:25 Unique 2.50, 2.82 A)
&rst
ixpk= 713, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 419, 420,
&end
#
# 29 TYR HA 29 TYR HB- 4.50 (# 714:25 Unique 2.50, 2.82 A)
&rst
ixpk= 714, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 419, 420,
&end
#
# 145 VAL MGY 29 TYR HB+ 4.50 (# 715:25 Unique 2.73, 5.76 A)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2244,2245,2246,2248,2249,2250,
igr2= 419, 420,
&end
#
# 145 VAL MGY 29 TYR HB- 4.50 (# 716:25 Unique 2.73, 5.76 A)
&rst
ixpk= 716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2244,2245,2246,2248,2249,2250,
igr2= 419, 420,
&end
#
# 24 LEU MDX 29 TYR HB+ 5.50 (# 717:25 Unique 3.83, 6.65 A)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 356, 357, 358, 360, 361, 362,
igr2= 419, 420,
&end
#
# 31 ILE HN 30 GLY HA+ 3.50 (# 718:25 Unique 2.26, 2.59 A)
&rst
ixpk= 718, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 438, 439,
&end
#
# 30 GLY HN 30 GLY HA+ 4.50 (# 719:25 Unique 2.49, 2.78 A)
&rst
ixpk= 719, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 438, 439,
&end
#
# 21 VAL HA 30 GLY HA+ 4.50 (# 720:25 Unique 2.02, 2.86 A)
&rst
ixpk= 720, nxpk= 25, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 438, 439,
&end
#
# 19 PHE HB+ 30 GLY HA+ 5.50 (# 722:25 Unique 2.87, 4.01 A)
&rst
ixpk= 722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 262, 263,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:723 0 AMB 25-1:723 5.50 (# 723:25 Double Ambig)
&rst
ixpk= 723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2185,2186,2185,2186,
igr2= 438, 439, 438, 439,
&end
#
# 21 VAL MGX 30 GLY HA+ 5.50 (# 724:25 Unique 2.44, 5.36 A)
&rst
ixpk= 724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 303, 304, 305, 307, 308, 309,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:725 0 AMB 25-1:725 5.50 (# 725:25 Double Ambig)
&rst
ixpk= 725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2= 438, 439, 438, 439,
&end
#
# 144 LEU MDY 30 GLY HA+ 5.50 (# 726:25 Unique 2.25, 4.73 A)
&rst
ixpk= 726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2228,2229,2230,2232,2233,2234,
igr2= 438, 439,
&end
#
# 31 ILE HG1- 30 GLY HA+ 5.50 (# 727:25 Unique 3.24, 4.44 A)
&rst
ixpk= 727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 453, 454,
igr2= 438, 439,
&end
#
# 31 ILE HN 30 GLY HA- 3.50 (# 729:25 Unique 2.26, 2.59 A)
&rst
ixpk= 729, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 438, 439,
&end
#
# 30 GLY HN 30 GLY HA- 4.50 (# 730:25 Unique 2.49, 2.78 A)
&rst
ixpk= 730, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:731 30 GLY HA- 5.50 (# 731:25 Single Ambig)
&rst
ixpk= 731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2238,2219,
igr2= 438, 439,
&end
#
# 21 VAL HA 30 GLY HA- 4.50 (# 734:25 Unique 2.02, 2.86 A)
&rst
ixpk= 734, nxpk= 25, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:735 30 GLY HA- 5.50 (# 735:25 Single Ambig)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 260,2068,1632,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:738 30 GLY HA- 5.50 (# 738:25 Single Ambig)
&rst
ixpk= 738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2185,2186,2185,2186,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:739 30 GLY HA- 4.50 (# 739:25 Single Ambig)
&rst
ixpk= 739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,
igr2= 438, 439,
&end
#
# 0 AMB 25-2:740 30 GLY HA- 4.50 (# 740:25 Single Ambig)
&rst
ixpk= 740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2= 438, 439,
&end
#
# 144 LEU MDY 30 GLY HA- 4.50 (# 741:25 Unique 2.25, 4.73 A)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2228,2229,2230,2232,2233,2234,
igr2= 438, 439,
&end
#
# 31 ILE HN 31 ILE HB 4.50 (# 742:25 Unique 2.75, 2.90 A)
&rst
ixpk= 742, nxpk= 25, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 ASP HN 31 ILE HB 4.50 (# 743:25 Unique 3.57, 3.85 A)
&rst
ixpk= 743, nxpk= 25, iat= 462, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 31 ILE HB 5.50 (# 746:25 Unique 4.96, 5.05 A)
&rst
ixpk= 746, nxpk= 25, iat= 260, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HA 31 ILE HB 3.50 (# 747:25 Unique 3.01, 3.05 A)
&rst
ixpk= 747, nxpk= 25, iat= 445, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 ILE HA 31 ILE HB 5.50 (# 748:25 Unique 4.41, 4.68 A)
&rst
ixpk= 748, nxpk= 25, iat= 476, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:749 31 ILE HB 5.50 (# 749:25 Single Ambig)
&rst
ixpk= 749, nxpk= 25, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 466, 467, 466, 467,
&end
#
# 31 ILE HG1+ 31 ILE HB 3.50 (# 750:25 Unique 2.37, 2.72 A)
&rst
ixpk= 750, nxpk= 25, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 453, 454,
&end
#
# 31 ILE QG2 31 ILE HB 2.80 (# 751:25 Unique 2.41, 2.67 A)
&rst
ixpk= 751, nxpk= 25, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 449, 450, 451,
&end
#
# 0 AMB 25-2:752 31 ILE HB 2.80 (# 752:25 Single Ambig)
&rst
ixpk= 752, nxpk= 25, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 456, 457, 458, 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 25-2:753 31 ILE HB 2.80 (# 753:25 Single Ambig)
&rst
ixpk= 753, nxpk= 25, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 540, 541, 542, 544, 545, 546,1430,1431,1432,1434,
1435,1436,1430,1431,1432,1434,1435,1436,1392,1393,
1394,
&end
#
# 0 AMB 25-2:754 0 AMB 25-1:754 5.50 (# 754:25 Double Ambig)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 278,2254,
igr2= 453, 454, 453, 454,
&end
#
# 31 ILE HN 31 ILE HG1+ 4.50 (# 755:25 Unique 2.74, 3.34 A)
&rst
ixpk= 755, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 453, 454,
&end
#
# 32 ASP HN 31 ILE HG1+ 5.50 (# 756:25 Unique 4.46, 4.99 A)
&rst
ixpk= 756, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 30 GLY HA+ 31 ILE HG1+ 5.50 (# 758:25 Unique 3.24, 4.44 A)
&rst
ixpk= 758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 438, 439,
igr2= 453, 454,
&end
#
# 31 ILE HA 31 ILE HG1+ 5.50 (# 759:25 Unique 2.51, 3.08 A)
&rst
ixpk= 759, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 0 AMB 25-2:762 31 ILE QG2 5.50 (# 762:25 Single Ambig)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 278,2254,
igr2= 449, 450, 451,
&end
#
# 31 ILE HN 31 ILE QG2 4.50 (# 763:25 Unique 4.43, 4.79 A)
&rst
ixpk= 763, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 449, 450, 451,
&end
#
# 32 ASP HN 31 ILE QG2 5.50 (# 764:25 Unique 2.28, 3.23 A)
&rst
ixpk= 764, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 449, 450, 451,
&end
#
# 145 VAL HN 31 ILE QG2 4.50 (# 765:25 Unique 3.92, 5.51 A)
&rst
ixpk= 765, nxpk= 25, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 449, 450, 451,
&end
#
# 31 ILE HA 31 ILE QG2 3.50 (# 768:25 Unique 2.34, 3.02 A)
&rst
ixpk= 768, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:769 31 ILE QG2 5.50 (# 769:25 Single Ambig)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2240,2221,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:770 31 ILE QG2 5.50 (# 770:25 Single Ambig)
&rst
ixpk= 770, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 466, 467, 466, 467,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:771 31 ILE QG2 3.50 (# 771:25 Single Ambig)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2242, 516, 517,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:772 31 ILE QG2 2.80 (# 772:25 Single Ambig)
&rst
ixpk= 772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 447, 453, 454, 516, 517,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:773 31 ILE QG2 3.50 (# 773:25 Single Ambig)
&rst
ixpk= 773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2278,2279, 519, 520,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:774 31 ILE QG2 2.80 (# 774:25 Single Ambig)
&rst
ixpk= 774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 456, 457, 458,2281,2282,2283, 540, 541, 542, 544,
545, 546,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:775 31 ILE QG2 2.80 (# 775:25 Single Ambig)
&rst
ixpk= 775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436, 540, 541, 542, 544, 545, 546,
igr2= 449, 450, 451,
&end
#
# 89 ILE QD1 31 ILE QG2 5.50 (# 776:25 Unique 4.83, 6.96 A)
&rst
ixpk= 776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1399,1400,1401,
igr2= 449, 450, 451,
&end
#
# 100 ILE QD1 31 ILE QG2 5.50 (# 777:25 Unique 4.30, 6.41 A)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1573,1574,1575,
igr2= 449, 450, 451,
&end
#
# 0 AMB 25-2:778 31 ILE QD1 5.50 (# 778:25 Single Ambig)
&rst
ixpk= 778, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 443,1386,1560,
igr2= 456, 457, 458,
&end
#
# 29 TYR HD 31 ILE QD1 5.50 (# 780:25 Unique 5.65, 8.02 A)
&rst
ixpk= 780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 423, 432,
igr2= 456, 457, 458,
&end
#
# 31 ILE HA 31 ILE QD1 5.50 (# 781:25 Unique 4.28, 4.76 A)
&rst
ixpk= 781, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 456, 457, 458,
&end
#
# 0 AMB 25-2:782 31 ILE QD1 5.50 (# 782:25 Single Ambig)
&rst
ixpk= 782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2270, 476,
igr2= 456, 457, 458,
&end
#
# 0 AMB 25-2:783 31 ILE QD1 5.50 (# 783:25 Single Ambig)
&rst
ixpk= 783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2242, 419, 420, 516, 517,
igr2= 456, 457, 458,
&end
#
# 0 AMB 25-2:784 31 ILE QD1 2.80 (# 784:25 Single Ambig)
&rst
ixpk= 784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 453, 454, 447,
igr2= 456, 457, 458,
&end
#
# 0 AMB 25-2:785 31 ILE QD1 4.50 (# 785:25 Single Ambig)
&rst
ixpk= 785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1570,1571,1428, 285,
igr2= 456, 457, 458,
&end
#
# 0 AMB 25-2:786 31 ILE QD1 4.50 (# 786:25 Single Ambig)
&rst
ixpk= 786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2278,2279, 282, 283,
igr2= 456, 457, 458,
&end
#
# 147 ILE HG1+ 31 ILE QD1 5.50 (# 787:25 Unique 2.87, 6.12 A)
&rst
ixpk= 787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2278,2279,
igr2= 456, 457, 458,
&end
#
# 31 ILE HG1+ 31 ILE QD1 2.80 (# 788:25 Unique 2.32, 2.65 A)
&rst
ixpk= 788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 453, 454,
igr2= 456, 457, 458,
&end
#
# 0 AMB 25-2:789 31 ILE QD1 2.80 (# 789:25 Single Ambig)
&rst
ixpk= 789, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 449, 450, 451,2244,2245,2246,2248,2249,2250,
igr2= 456, 457, 458,
&end
#
# 89 ILE QD1 31 ILE QD1 4.50 (# 790:25 Unique 2.45, 4.06 A)
&rst
ixpk= 790, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1399,1400,1401,
igr2= 456, 457, 458,
&end
#
# 100 ILE QD1 31 ILE QD1 4.50 (# 791:25 Unique 2.21, 3.74 A)
&rst
ixpk= 791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1573,1574,1575,
igr2= 456, 457, 458,
&end
#
# 20 LEU HN 32 ASP HA 5.50 (# 792:25 Unique 3.85, 4.08 A)
&rst
ixpk= 792, nxpk= 25, iat= 278, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HN 32 ASP HA 4.50 (# 793:25 Unique 2.83, 2.87 A)
&rst
ixpk= 793, nxpk= 25, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 LEU HN 32 ASP HA 5.50 (# 795:25 Unique 3.75, 3.89 A)
&rst
ixpk= 795, nxpk= 25, iat= 493, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 32 ASP HA 2.80 (# 796:25 Unique 2.11, 2.13 A)
&rst
ixpk= 796, nxpk= 25, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 LYS HN 32 ASP HA 5.50 (# 797:25 Unique 4.67, 4.84 A)
&rst
ixpk= 797, nxpk= 25, iat= 512, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HE2+ 32 ASP HA 5.50 (# 798:25 Unique 4.28, 5.88 A)
&rst
ixpk= 798, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 238, 239,
&end
#
# 19 PHE HE 32 ASP HA 5.50 (# 800:25 Unique 3.42, 5.17 A)
&rst
ixpk= 800, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 19 PHE HD 32 ASP HA 5.50 (# 801:25 Unique 2.49, 4.20 A)
&rst
ixpk= 801, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 266, 274,
&end
#
# 19 PHE HA 32 ASP HA 3.50 (# 802:25 Unique 2.40, 2.68 A)
&rst
ixpk= 802, nxpk= 25, iat= 260, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:803 32 ASP HA 2.80 (# 803:25 Single Ambig)
&rst
ixpk= 803, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 466, 467, 466, 467,
&end
#
# 34 LEU HG 32 ASP HA 5.50 (# 804:25 Unique 5.12, 5.30 A)
&rst
ixpk= 804, nxpk= 25, iat= 500, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:805 32 ASP HA 4.50 (# 805:25 Single Ambig)
&rst
ixpk= 805, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 519, 520, 497, 498, 484, 485,
&end
#
# 0 AMB 25-2:806 32 ASP HA 4.50 (# 806:25 Single Ambig)
&rst
ixpk= 806, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 480, 481, 482,2281,2282,2283, 540, 541, 542, 544,
545, 546, 502, 503, 504, 506, 507, 508,
&end
#
# 147 ILE QG2 0 AMB 25-1:808 5.50 (# 808:25 Single Ambig)
&rst
ixpk= 808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2274,2275,2276,
igr2= 466, 467, 466, 467,
&end
#
# 0 AMB 25-2:809 0 AMB 25-1:809 4.50 (# 809:25 Double Ambig)
&rst
ixpk= 809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 519, 520, 519, 520, 519, 520,
igr2= 466, 467, 466, 467, 466, 467,
&end
#
# 147 ILE QD1 0 AMB 25-1:810 5.50 (# 810:25 Single Ambig)
&rst
ixpk= 810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2281,2282,2283,
igr2= 466, 467, 466, 467,
&end
#
# 0 AMB 25-2:811 0 AMB 25-1:811 5.50 (# 811:25 Double Ambig)
&rst
ixpk= 811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 522, 523, 522, 523, 522, 523,
igr2= 466, 467, 466, 467, 466, 467,
&end
#
# 0 AMB 25-2:812 0 AMB 25-1:812 5.50 (# 812:25 Double Ambig)
&rst
ixpk= 812, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 516, 517, 230, 231, 497, 498,
igr2= 466, 467, 466, 467, 466, 467,
&end
#
# 32 ASP HA 0 AMB 25-1:813 2.80 (# 813:25 Single Ambig)
&rst
ixpk= 813, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 466, 467, 466, 467,
&end
#
# 0 AMB 25-2:815 0 AMB 25-1:815 5.50 (# 815:25 Double Ambig)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 238, 239, 238, 239,
igr2= 466, 467, 466, 467,
&end
#
# 32 ASP HN 0 AMB 25-1:816 2.80 (# 816:25 Single Ambig)
&rst
ixpk= 816, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 466, 467, 466, 467,
&end
#
# 34 LEU HN 33 ILE HA 4.50 (# 819:25 Unique 3.54, 3.55 A)
&rst
ixpk= 819, nxpk= 25, iat= 493, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 ILE HN 33 ILE HA 4.50 (# 820:25 Unique 2.77, 2.79 A)
&rst
ixpk= 820, nxpk= 25, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HN 33 ILE HA 5.50 (# 821:25 Unique 3.68, 3.78 A)
&rst
ixpk= 821, nxpk= 25, iat= 512, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HN 33 ILE HA 5.50 (# 822:25 Unique 3.22, 3.45 A)
&rst
ixpk= 822, nxpk= 25, iat= 534, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HB 33 ILE HA 5.50 (# 823:25 Unique 2.86, 3.43 A)
&rst
ixpk= 823, nxpk= 25, iat= 538, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:824 33 ILE HA 4.50 (# 824:25 Single Ambig)
&rst
ixpk= 824, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 282, 283, 516, 517,
&end
#
# 0 AMB 25-2:825 33 ILE HA 2.80 (# 825:25 Single Ambig)
&rst
ixpk= 825, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 478, 282, 283,
&end
#
# 0 AMB 25-2:826 33 ILE HA 2.80 (# 826:25 Single Ambig)
&rst
ixpk= 826, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 484, 485, 484, 485,
&end
#
# 0 AMB 25-2:827 33 ILE HA 2.80 (# 827:25 Single Ambig)
&rst
ixpk= 827, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 487, 488, 489, 540, 541, 542, 544, 545, 546,
&end
#
# 36 VAL MGX 33 ILE HA 4.50 (# 828:25 Unique 2.36, 4.26 A)
&rst
ixpk= 828, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 25-2:829 33 ILE HB 5.50 (# 829:25 Single Ambig)
&rst
ixpk= 829, nxpk= 25, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 278, 258,
&end
#
# 34 LEU HN 33 ILE HB 5.50 (# 830:25 Unique 4.04, 4.09 A)
&rst
ixpk= 830, nxpk= 25, iat= 493, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 33 ILE HB 3.50 (# 831:25 Unique 2.27, 2.30 A)
&rst
ixpk= 831, nxpk= 25, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 PHE HA 33 ILE HB 5.50 (# 832:25 Unique 2.57, 2.86 A)
&rst
ixpk= 832, nxpk= 25, iat= 260, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 33 ILE HB 2.80 (# 833:25 Unique 2.48, 2.50 A)
&rst
ixpk= 833, nxpk= 25, iat= 476, 478, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:834 33 ILE HB 2.80 (# 834:25 Single Ambig)
&rst
ixpk= 834, nxpk= 25, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 480, 481, 482, 487, 488, 489,1675,1676,1677,1679,
1680,1681,
&end
#
# 108 VAL MGX 33 ILE HB 3.50 (# 835:25 Unique 2.91, 4.56 A)
&rst
ixpk= 835, nxpk= 25, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 33 ILE HN 0 AMB 25-1:836 4.50 (# 836:25 Single Ambig)
&rst
ixpk= 836, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 484, 485, 484, 485,
&end
#
# 33 ILE HA 0 AMB 25-1:837 3.50 (# 837:25 Single Ambig)
&rst
ixpk= 837, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 484, 485, 484, 485,
&end
#
# 36 VAL HB 0 AMB 25-1:838 4.50 (# 838:25 Single Ambig)
&rst
ixpk= 838, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 484, 485, 484, 485,
&end
#
# 0 AMB 25-2:839 0 AMB 25-1:839 2.80 (# 839:25 Double Ambig)
&rst
ixpk= 839, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 487, 488, 489, 480, 481, 482,
igr2= 484, 485, 484, 485, 484, 485,
&end
#
# 108 VAL MGX 0 AMB 25-1:840 2.80 (# 840:25 Single Ambig)
&rst
ixpk= 840, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1675,1676,1677,1679,1680,1681,
igr2= 484, 485, 484, 485,
&end
#
# 0 AMB 25-2:841 33 ILE QG2 5.50 (# 841:25 Single Ambig)
&rst
ixpk= 841, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 258, 278,
igr2= 480, 481, 482,
&end
#
# 0 AMB 25-2:842 33 ILE QG2 5.50 (# 842:25 Single Ambig)
&rst
ixpk= 842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1685, 443,
igr2= 480, 481, 482,
&end
#
# 34 LEU HN 33 ILE QG2 3.50 (# 843:25 Unique 2.52, 3.18 A)
&rst
ixpk= 843, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 480, 481, 482,
&end
#
# 33 ILE HN 33 ILE QG2 3.50 (# 844:25 Unique 2.10, 3.02 A)
&rst
ixpk= 844, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 480, 481, 482,
&end
#
# 35 LYS HN 33 ILE QG2 5.50 (# 845:25 Unique 4.98, 5.52 A)
&rst
ixpk= 845, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 480, 481, 482,
&end
#
# 0 AMB 25-2:846 33 ILE QG2 4.50 (# 846:25 Single Ambig)
&rst
ixpk= 846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 260, 245,
igr2= 480, 481, 482,
&end
#
# 34 LEU HA 33 ILE QG2 4.50 (# 847:25 Unique 3.37, 4.40 A)
&rst
ixpk= 847, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 480, 481, 482,
&end
#
# 0 AMB 25-2:848 33 ILE QG2 3.50 (# 848:25 Single Ambig)
&rst
ixpk= 848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 476, 464,
igr2= 480, 481, 482,
&end
#
# 18 GLU HG+ 33 ILE QG2 4.50 (# 849:25 Unique 2.43, 4.25 A)
&rst
ixpk= 849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 250, 251,
igr2= 480, 481, 482,
&end
#
# 18 GLU HB+ 33 ILE QG2 2.80 (# 850:25 Unique 2.27, 3.79 A)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 247, 248,
igr2= 480, 481, 482,
&end
#
# 0 AMB 25-2:851 33 ILE QG2 2.80 (# 851:25 Single Ambig)
&rst
ixpk= 851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 484, 485, 484, 485,
igr2= 480, 481, 482,
&end
#
# 33 ILE HB 33 ILE QG2 2.80 (# 852:25 Unique 2.39, 2.66 A)
&rst
ixpk= 852, nxpk= 25, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 480, 481, 482,
&end
#
# 20 LEU HN 33 ILE QD1 4.50 (# 853:25 Unique 3.48, 4.40 A)
&rst
ixpk= 853, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 487, 488, 489,
&end
#
# 0 AMB 25-2:854 33 ILE QD1 5.50 (# 854:25 Single Ambig)
&rst
ixpk= 854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1685, 443,
igr2= 487, 488, 489,
&end
#
# 34 LEU HN 33 ILE QD1 5.50 (# 855:25 Unique 5.23, 5.86 A)
&rst
ixpk= 855, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 21 VAL HN 33 ILE QD1 5.50 (# 856:25 Unique 5.50, 6.49 A)
&rst
ixpk= 856, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 33 ILE HN 33 ILE QD1 5.50 (# 858:25 Unique 4.44, 4.94 A)
&rst
ixpk= 858, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 35 LYS HN 33 ILE QD1 5.50 (# 859:25 Unique 5.33, 6.41 A)
&rst
ixpk= 859, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 36 VAL HN 33 ILE QD1 5.50 (# 860:25 Unique 4.13, 5.37 A)
&rst
ixpk= 860, nxpk= 25, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 19 PHE HA 33 ILE QD1 5.50 (# 861:25 Unique 4.19, 5.27 A)
&rst
ixpk= 861, nxpk= 25, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 108 VAL HA 33 ILE QD1 5.50 (# 862:25 Unique 4.30, 5.41 A)
&rst
ixpk= 862, nxpk= 25, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 20 LEU HA 33 ILE QD1 4.50 (# 864:25 Unique 3.24, 4.30 A)
&rst
ixpk= 864, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 487, 488, 489,
&end
#
# 36 VAL HB 33 ILE QD1 3.50 (# 865:25 Unique 2.67, 3.90 A)
&rst
ixpk= 865, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 487, 488, 489,
&end
#
# 18 GLU HG+ 33 ILE QD1 4.50 (# 866:25 Unique 4.18, 5.92 A)
&rst
ixpk= 866, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 250, 251,
igr2= 487, 488, 489,
&end
#
# 20 LEU HB+ 33 ILE QD1 2.80 (# 867:25 Unique 2.27, 3.58 A)
&rst
ixpk= 867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 282, 283,
igr2= 487, 488, 489,
&end
#
# 20 LEU HG 33 ILE QD1 4.50 (# 868:25 Unique 5.19, 5.72 A)
&rst
ixpk= 868, nxpk= 25, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 487, 488, 489,
&end
#
# 0 AMB 25-2:869 33 ILE QD1 2.80 (# 869:25 Single Ambig)
&rst
ixpk= 869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 282, 283, 484, 485, 484, 485,
igr2= 487, 488, 489,
&end
#
# 33 ILE HA 33 ILE QD1 2.80 (# 870:25 Unique 2.18, 2.98 A)
&rst
ixpk= 870, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 487, 488, 489,
&end
#
# 34 LEU HN 34 LEU HA 3.50 (# 871:25 Unique 2.83, 2.84 A)
&rst
ixpk= 871, nxpk= 25, iat= 493, 495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 LYS HN 34 LEU HA 4.50 (# 872:25 Unique 3.47, 3.49 A)
&rst
ixpk= 872, nxpk= 25, iat= 512, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL HN 34 LEU HA 5.50 (# 873:25 Unique 3.83, 4.03 A)
&rst
ixpk= 873, nxpk= 25, iat= 534, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HB+ 34 LEU HA 2.80 (# 874:25 Unique 2.48, 2.77 A)
&rst
ixpk= 874, nxpk= 25, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 497, 498,
&end
#
# 34 LEU HG 34 LEU HA 3.50 (# 875:25 Unique 3.06, 3.10 A)
&rst
ixpk= 875, nxpk= 25, iat= 500, 495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 LEU HB- 34 LEU HA 2.80 (# 876:25 Unique 2.48, 2.77 A)
&rst
ixpk= 876, nxpk= 25, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 497, 498,
&end
#
# 34 LEU MDX 34 LEU HA 4.50 (# 877:25 Unique 2.22, 3.90 A)
&rst
ixpk= 877, nxpk= 25, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU MDY 34 LEU HA 3.50 (# 878:25 Unique 2.22, 3.90 A)
&rst
ixpk= 878, nxpk= 25, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HN 34 LEU HB+ 3.50 (# 879:25 Unique 2.47, 3.04 A)
&rst
ixpk= 879, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 497, 498,
&end
#
# 34 LEU HN 34 LEU HB- 4.50 (# 880:25 Unique 2.47, 3.04 A)
&rst
ixpk= 880, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 497, 498,
&end
#
# 35 LYS HN 34 LEU HB+ 5.50 (# 881:25 Unique 3.05, 3.65 A)
&rst
ixpk= 881, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 497, 498,
&end
#
# 35 LYS HN 34 LEU HB- 5.50 (# 882:25 Unique 3.05, 3.65 A)
&rst
ixpk= 882, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 497, 498,
&end
#
# 34 LEU HA 34 LEU HB+ 3.50 (# 883:25 Unique 2.48, 2.77 A)
&rst
ixpk= 883, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 497, 498,
&end
#
# 34 LEU HA 34 LEU HB- 3.50 (# 884:25 Unique 2.48, 2.77 A)
&rst
ixpk= 884, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 497, 498,
&end
#
# 0 AMB 25-2:885 0 AMB 25-1:885 5.50 (# 885:25 Double Ambig)
&rst
ixpk= 885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1067,1583, 233, 234,
igr2=1564, 497, 498,
&end
#
# 0 AMB 25-2:886 0 AMB 25-1:886 2.80 (# 886:25 Double Ambig)
&rst
ixpk= 886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1570,1571, 500,
igr2=1564, 497, 498,
&end
#
# 100 ILE HG1+ 100 ILE HB 3.50 (# 887:25 Unique 2.40, 2.78 A)
&rst
ixpk= 887, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1570,1571,
&end
#
# 34 LEU MDX 34 LEU HB+ 2.80 (# 888:25 Unique 2.42, 3.32 A)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 502, 503, 504, 506, 507, 508,
igr2= 497, 498,
&end
#
# 34 LEU MDX 34 LEU HB- 2.80 (# 889:25 Unique 2.42, 3.32 A)
&rst
ixpk= 889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 502, 503, 504, 506, 507, 508,
igr2= 497, 498,
&end
#
# 34 LEU MDY 34 LEU HB+ 2.80 (# 890:25 Unique 2.42, 3.32 A)
&rst
ixpk= 890, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 502, 503, 504, 506, 507, 508,
igr2= 497, 498,
&end
#
# 0 AMB 25-2:891 0 AMB 25-1:891 2.80 (# 891:25 Double Ambig)
&rst
ixpk= 891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 502, 503, 504, 506, 507, 508,1069,1070,1071,1073,
1074,1075,
igr2= 497, 498,1564,
&end
#
# 0 AMB 25-2:892 100 ILE HB 5.50 (# 892:25 Single Ambig)
&rst
ixpk= 892, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1372,1046, 349,
&end
#
# 34 LEU HN 34 LEU HG 2.80 (# 893:25 Unique 2.14, 2.20 A)
&rst
ixpk= 893, nxpk= 25, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 158 LEU HN 158 LEU HG 4.50 (# 894:25 Unique 2.48, 4.30 A)
&rst
ixpk= 894, nxpk= 25, iat=2444,2451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:895 0 AMB 25-1:895 3.50 (# 895:25 Double Ambig)
&rst
ixpk= 895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495,2389,
igr2= 500,2451,
&end
#
# 0 AMB 25-2:896 0 AMB 25-1:896 2.80 (# 896:25 Double Ambig)
&rst
ixpk= 896, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459, 502, 503, 504, 506, 507, 508, 480, 481,
482,
igr2=2451, 500,
&end
#
# 34 LEU HN 34 LEU MDX 4.50 (# 897:25 Unique 3.59, 4.29 A)
&rst
ixpk= 897, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 35 LYS HN 34 LEU MDX 5.50 (# 898:25 Unique 5.26, 6.03 A)
&rst
ixpk= 898, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HA 34 LEU MDX 4.50 (# 899:25 Unique 2.22, 3.90 A)
&rst
ixpk= 899, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 0 AMB 25-2:900 34 LEU MDX 5.50 (# 900:25 Single Ambig)
&rst
ixpk= 900, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 464, 476,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HB+ 34 LEU MDX 2.80 (# 901:25 Unique 2.42, 3.32 A)
&rst
ixpk= 901, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 497, 498,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HG 34 LEU MDX 2.80 (# 902:25 Unique 2.44, 2.65 A)
&rst
ixpk= 902, nxpk= 25, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HB- 34 LEU MDX 2.80 (# 903:25 Unique 2.42, 3.32 A)
&rst
ixpk= 903, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 497, 498,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HN 34 LEU MDY 2.80 (# 904:25 Unique 3.59, 4.29 A)
&rst
ixpk= 904, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HA 34 LEU MDY 3.50 (# 905:25 Unique 2.22, 3.90 A)
&rst
ixpk= 905, nxpk= 25, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HB+ 34 LEU MDY 2.80 (# 906:25 Unique 2.42, 3.32 A)
&rst
ixpk= 906, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 497, 498,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HG 34 LEU MDY 2.80 (# 907:25 Unique 2.44, 2.65 A)
&rst
ixpk= 907, nxpk= 25, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 34 LEU HB- 34 LEU MDY 2.80 (# 908:25 Unique 2.42, 3.32 A)
&rst
ixpk= 908, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 497, 498,
igr2= 502, 503, 504, 506, 507, 508,
&end
#
# 92 ASN HN 35 LYS HA 5.50 (# 909:25 Unique 3.26, 3.63 A)
&rst
ixpk= 909, nxpk= 25, iat=1440, 514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HN 35 LYS HA 5.50 (# 910:25 Unique 5.23, 5.32 A)
&rst
ixpk= 910, nxpk= 25, iat= 493, 514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HN 35 LYS HA 4.50 (# 911:25 Unique 2.93, 2.96 A)
&rst
ixpk= 911, nxpk= 25, iat= 512, 514, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL HN 35 LYS HA 5.50 (# 912:25 Unique 3.30, 3.46 A)
&rst
ixpk= 912, nxpk= 25, iat= 534, 514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HB+ 35 LYS HA 2.80 (# 913:25 Unique 2.39, 2.74 A)
&rst
ixpk= 913, nxpk= 25, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 516, 517,
&end
#
# 35 LYS HB- 35 LYS HA 2.80 (# 914:25 Unique 2.39, 2.74 A)
&rst
ixpk= 914, nxpk= 25, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 516, 517,
&end
#
# 0 AMB 25-2:915 35 LYS HA 2.80 (# 915:25 Single Ambig)
&rst
ixpk= 915, nxpk= 25, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 522, 523, 522, 523,
&end
#
# 35 LYS HG- 35 LYS HA 3.50 (# 916:25 Unique 2.39, 3.50 A)
&rst
ixpk= 916, nxpk= 25, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 519, 520,
&end
#
# 35 LYS HN 35 LYS HB+ 4.50 (# 917:25 Unique 2.39, 3.07 A)
&rst
ixpk= 917, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 516, 517,
&end
#
# 35 LYS HN 35 LYS HB- 4.50 (# 918:25 Unique 2.39, 3.07 A)
&rst
ixpk= 918, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 516, 517,
&end
#
# 35 LYS HA 35 LYS HB+ 3.50 (# 919:25 Unique 2.39, 2.74 A)
&rst
ixpk= 919, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 516, 517,
&end
#
# 35 LYS HA 35 LYS HB- 3.50 (# 920:25 Unique 2.39, 2.74 A)
&rst
ixpk= 920, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 516, 517,
&end
#
# 0 AMB 25-2:921 0 AMB 25-1:921 4.50 (# 921:25 Double Ambig)
&rst
ixpk= 921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2278,2279, 519, 520, 519, 520,
igr2= 516, 517, 516, 517, 516, 517,
&end
#
# 35 LYS HN 35 LYS HG+ 4.50 (# 924:25 Unique 2.21, 3.11 A)
&rst
ixpk= 924, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 519, 520,
&end
#
# 35 LYS HN 35 LYS HG- 4.50 (# 925:25 Unique 2.21, 3.11 A)
&rst
ixpk= 925, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 519, 520,
&end
#
# 35 LYS HA 35 LYS HG+ 4.50 (# 926:25 Unique 2.39, 3.50 A)
&rst
ixpk= 926, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 519, 520,
&end
#
# 35 LYS HA 35 LYS HG- 4.50 (# 927:25 Unique 2.39, 3.50 A)
&rst
ixpk= 927, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 519, 520,
&end
#
# 35 LYS HE+ 35 LYS HG+ 4.50 (# 928:25 Unique 2.29, 3.01 A)
&rst
ixpk= 928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 525, 526,
igr2= 519, 520,
&end
#
# 35 LYS HE+ 35 LYS HG- 4.50 (# 929:25 Unique 2.29, 3.01 A)
&rst
ixpk= 929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 525, 526,
igr2= 519, 520,
&end
#
# 0 AMB 25-2:930 0 AMB 25-1:930 5.50 (# 930:25 Double Ambig)
&rst
ixpk= 930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 466, 467, 466, 467,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 25-2:931 35 LYS HG- 4.50 (# 931:25 Single Ambig)
&rst
ixpk= 931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 466, 467, 466, 467,
igr2= 519, 520,
&end
#
# 0 AMB 25-2:932 0 AMB 25-1:932 4.50 (# 932:25 Double Ambig)
&rst
ixpk= 932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 516, 517,2291,2292,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 25-2:933 35 LYS HG- 4.50 (# 933:25 Single Ambig)
&rst
ixpk= 933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 516, 517,2291,2292,
igr2= 519, 520,
&end
#
# 0 AMB 25-2:934 0 AMB 25-1:934 2.80 (# 934:25 Double Ambig)
&rst
ixpk= 934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 516, 517, 497, 498,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 25-2:935 35 LYS HG- 3.50 (# 935:25 Single Ambig)
&rst
ixpk= 935, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 516, 517, 497, 498,
igr2= 519, 520,
&end
#
# 0 AMB 25-2:936 0 AMB 25-1:936 2.80 (# 936:25 Double Ambig)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 522, 523, 522, 523,
igr2= 519, 520, 519, 520,
&end
#
# 0 AMB 25-2:937 35 LYS HG- 2.80 (# 937:25 Single Ambig)
&rst
ixpk= 937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 522, 523, 522, 523,
igr2= 519, 520,
&end
#
# 35 LYS HE- 35 LYS HG- 4.50 (# 938:25 Unique 2.29, 3.01 A)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 525, 526,
igr2= 519, 520,
&end
#
# 35 LYS HE- 35 LYS HG+ 4.50 (# 939:25 Unique 2.29, 3.01 A)
&rst
ixpk= 939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 525, 526,
igr2= 519, 520,
&end
#
# 0 AMB 25-2:940 0 AMB 25-1:940 4.50 (# 940:25 Double Ambig)
&rst
ixpk= 940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1473,1440,
igr2= 522, 523, 522, 523, 522, 523,
&end
#
# 35 LYS HN 0 AMB 25-1:941 4.50 (# 941:25 Single Ambig)
&rst
ixpk= 941, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 522, 523, 522, 523,
&end
#
# 35 LYS HA 0 AMB 25-1:943 2.80 (# 943:25 Single Ambig)
&rst
ixpk= 943, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:945 0 AMB 25-1:945 5.50 (# 945:25 Double Ambig)
&rst
ixpk= 945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 464, 476,
igr2= 522, 523, 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:946 0 AMB 25-1:946 2.80 (# 946:25 Double Ambig)
&rst
ixpk= 946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 525, 526, 525, 526,
igr2= 522, 523, 522, 523,
&end
#
# 35 LYS HE- 0 AMB 25-1:947 2.80 (# 947:25 Single Ambig)
&rst
ixpk= 947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 525, 526,
igr2= 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:948 0 AMB 25-1:948 4.50 (# 948:25 Double Ambig)
&rst
ixpk= 948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 466, 467, 466, 467, 466, 467,
igr2= 522, 523, 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:949 0 AMB 25-1:949 4.50 (# 949:25 Double Ambig)
&rst
ixpk= 949, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2294,2295,2294,2295,2294,2295,
igr2= 522, 523, 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:950 0 AMB 25-1:950 2.80 (# 950:25 Double Ambig)
&rst
ixpk= 950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 516, 517, 516, 517,2291,2292,2291,2292,2291,2292,
igr2= 522, 523, 522, 523, 522, 523, 522, 523,
&end
#
# 147 ILE QG2 0 AMB 25-1:951 4.50 (# 951:25 Single Ambig)
&rst
ixpk= 951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2274,2275,2276,
igr2= 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:952 0 AMB 25-1:952 3.50 (# 952:25 Double Ambig)
&rst
ixpk= 952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2= 522, 523, 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:953 0 AMB 25-1:953 5.50 (# 953:25 Double Ambig)
&rst
ixpk= 953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 25-2:954 35 LYS HE- 5.50 (# 954:25 Single Ambig)
&rst
ixpk= 954, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2= 525, 526,
&end
#
# 147 ILE QG2 35 LYS HE+ 5.50 (# 955:25 Unique 2.70, 4.79 A)
&rst
ixpk= 955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2274,2275,2276,
igr2= 525, 526,
&end
#
# 147 ILE QG2 35 LYS HE- 5.50 (# 956:25 Unique 2.70, 4.79 A)
&rst
ixpk= 956, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2274,2275,2276,
igr2= 525, 526,
&end
#
# 0 AMB 25-2:957 0 AMB 25-1:957 3.50 (# 957:25 Double Ambig)
&rst
ixpk= 957, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 519, 520, 497, 498,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 25-2:958 35 LYS HE- 2.80 (# 958:25 Single Ambig)
&rst
ixpk= 958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 519, 520, 519, 520, 497, 498,
igr2= 525, 526,
&end
#
# 0 AMB 25-2:959 0 AMB 25-1:959 2.80 (# 959:25 Double Ambig)
&rst
ixpk= 959, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 522, 523, 522, 523,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 25-2:960 35 LYS HE- 2.80 (# 960:25 Single Ambig)
&rst
ixpk= 960, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 522, 523, 522, 523,
igr2= 525, 526,
&end
#
# 0 AMB 25-2:961 0 AMB 25-1:961 5.50 (# 961:25 Double Ambig)
&rst
ixpk= 961, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 497, 498, 516, 517,
igr2= 525, 526, 525, 526,
&end
#
# 0 AMB 25-2:962 35 LYS HE- 5.50 (# 962:25 Single Ambig)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 497, 498, 516, 517,
igr2= 525, 526,
&end
#
# 35 LYS HA 35 LYS HE- 5.50 (# 965:25 Unique 2.47, 4.69 A)
&rst
ixpk= 965, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 525, 526,
&end
#
# 37 GLN HN 36 VAL HA 3.50 (# 966:25 Unique 2.05, 2.14 A)
&rst
ixpk= 966, nxpk= 25, iat= 550, 536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ASN HN 36 VAL HA 5.50 (# 967:25 Unique 3.54, 3.98 A)
&rst
ixpk= 967, nxpk= 25, iat=1440, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU HN 36 VAL HA 5.50 (# 968:25 Unique 3.88, 4.06 A)
&rst
ixpk= 968, nxpk= 25, iat= 567, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HN 36 VAL HA 4.50 (# 969:25 Unique 2.86, 2.89 A)
&rst
ixpk= 969, nxpk= 25, iat= 534, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 ASN HD2- 36 VAL HA 5.50 (# 970:25 Unique 4.05, 5.55 A)
&rst
ixpk= 970, nxpk= 25, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1449,1450,
&end
#
# 91 LEU HA 36 VAL HA 4.50 (# 971:25 Unique 2.35, 2.62 A)
&rst
ixpk= 971, nxpk= 25, iat=1423, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL HB 36 VAL HA 5.50 (# 973:25 Unique 3.04, 3.05 A)
&rst
ixpk= 973, nxpk= 25, iat= 538, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LEU HG 36 VAL HA 4.50 (# 974:25 Unique 3.84, 4.33 A)
&rst
ixpk= 974, nxpk= 25, iat=1428, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL MGY 36 VAL HA 3.50 (# 975:25 Unique 2.45, 3.16 A)
&rst
ixpk= 975, nxpk= 25, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 25-2:976 36 VAL HA 2.80 (# 976:25 Single Ambig)
&rst
ixpk= 976, nxpk= 25, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436, 540, 541, 542, 544, 545, 546,
&end
#
# 37 GLN HN 36 VAL MGY 5.50 (# 978:25 Unique 2.48, 4.23 A)
&rst
ixpk= 978, nxpk= 25, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 540, 541, 542, 544, 545, 546,
&end
#
# 36 VAL HN 36 VAL MGY 4.50 (# 979:25 Unique 2.12, 3.81 A)
&rst
ixpk= 979, nxpk= 25, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 540, 541, 542, 544, 545, 546,
&end
#
# 125 THR HN 124 VAL MGY 4.50 (# 980:25 Unique 2.06, 4.47 A)
&rst
ixpk= 980, nxpk= 25, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 124 VAL HA 124 VAL MGY 3.50 (# 981:25 Unique 2.31, 3.51 A)
&rst
ixpk= 981, nxpk= 25, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:982 0 AMB 25-1:982 4.50 (# 982:25 Double Ambig)
&rst
ixpk= 982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 476,1873,1199,1200,1199,1200,
igr2= 540, 541, 542, 544, 545, 546,1922,1923,1924,1926,
1927,1928,
&end
#
# 0 AMB 25-2:983 0 AMB 25-1:983 4.50 (# 983:25 Double Ambig)
&rst
ixpk= 983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 536,1948,
igr2= 540, 541, 542, 544, 545, 546,1922,1923,1924,1926,
1927,1928,
&end
#
# 0 AMB 25-2:984 0 AMB 25-1:984 2.80 (# 984:25 Double Ambig)
&rst
ixpk= 984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1920, 538,
igr2=1922,1923,1924,1926,1927,1928, 540, 541, 542, 544,
545, 546,
&end
#
# 0 AMB 25-2:985 36 VAL MGY 2.80 (# 985:25 Single Ambig)
&rst
ixpk= 985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 282, 283, 592, 593, 592, 593,
igr2= 540, 541, 542, 544, 545, 546,
&end
#
# 37 GLN HN 37 GLN HA 4.50 (# 996:25 Unique 2.94, 2.97 A)
&rst
ixpk= 996, nxpk= 25, iat= 550, 552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLU HN 37 GLN HA 5.50 (# 997:25 Unique 3.58, 3.60 A)
&rst
ixpk= 997, nxpk= 25, iat= 567, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HD2- 37 GLN HA 5.50 (# 998:25 Unique 2.63, 4.91 A)
&rst
ixpk= 998, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1449,1450,
&end
#
# 0 AMB 25-2:1001 37 GLN HA 2.80 (# 1001:25 Single Ambig)
&rst
ixpk= 1001, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 557, 558, 557, 558,
&end
#
# 37 GLN HB+ 37 GLN HA 2.80 (# 1003:25 Unique 2.39, 2.77 A)
&rst
ixpk= 1003, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 554, 555,
&end
#
# 37 GLN HB- 37 GLN HA 2.80 (# 1004:25 Unique 2.39, 2.77 A)
&rst
ixpk= 1004, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 554, 555,
&end
#
# 36 VAL MGY 37 GLN HA 4.50 (# 1005:25 Unique 3.88, 6.02 A)
&rst
ixpk= 1005, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 25-2:1006 37 GLN HA 4.50 (# 1006:25 Single Ambig)
&rst
ixpk= 1006, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 540, 541, 542, 544, 545, 546,1527,1528,1529,1531,
1532,1533,1430,1431,1432,1434,1435,1436,1430,1431,
1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:1007 37 GLN HA 5.50 (# 1007:25 Single Ambig)
&rst
ixpk= 1007, nxpk= 25, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 0 AMB 25-2:1008 0 AMB 25-1:1008 4.50 (# 1008:25 Double Ambig)
&rst
ixpk= 1008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 550,1421,
igr2= 554, 555, 554, 555,
&end
#
# 0 AMB 25-2:1009 37 GLN HB- 4.50 (# 1009:25 Single Ambig)
&rst
ixpk= 1009, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 550,1421,
igr2= 554, 555,
&end
#
# 38 GLU HN 37 GLN HB- 4.50 (# 1010:25 Unique 2.26, 3.08 A)
&rst
ixpk= 1010, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 554, 555,
&end
#
# 38 GLU HN 37 GLN HB+ 5.50 (# 1011:25 Unique 2.26, 3.08 A)
&rst
ixpk= 1011, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 554, 555,
&end
#
# 37 GLN HA 37 GLN HB- 2.80 (# 1012:25 Unique 2.39, 2.77 A)
&rst
ixpk= 1012, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 554, 555,
&end
#
# 37 GLN HA 37 GLN HB+ 2.80 (# 1013:25 Unique 2.39, 2.77 A)
&rst
ixpk= 1013, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 554, 555,
&end
#
# 0 AMB 25-2:1014 0 AMB 25-1:1014 4.50 (# 1014:25 Double Ambig)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 554, 555, 554, 555,
&end
#
# 0 AMB 25-2:1015 37 GLN HB- 4.50 (# 1015:25 Single Ambig)
&rst
ixpk= 1015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 554, 555,
&end
#
# 0 AMB 25-2:1016 37 GLN HB- 3.50 (# 1016:25 Single Ambig)
&rst
ixpk= 1016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 557, 558, 557, 558,
igr2= 554, 555,
&end
#
# 37 GLN HN 0 AMB 25-1:1017 5.50 (# 1017:25 Single Ambig)
&rst
ixpk= 1017, nxpk= 25, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 557, 558, 557, 558,
&end
#
# 0 AMB 25-2:1018 0 AMB 25-1:1018 3.50 (# 1018:25 Double Ambig)
&rst
ixpk= 1018, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 562, 563, 562, 563,
igr2= 557, 558, 557, 558,
&end
#
# 38 GLU HN 0 AMB 25-1:1019 4.50 (# 1019:25 Single Ambig)
&rst
ixpk= 1019, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 557, 558, 557, 558,
&end
#
# 37 GLN HE2- 0 AMB 25-1:1020 4.50 (# 1020:25 Single Ambig)
&rst
ixpk= 1020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 562, 563,
igr2= 557, 558, 557, 558,
&end
#
# 37 GLN HA 0 AMB 25-1:1021 2.80 (# 1021:25 Single Ambig)
&rst
ixpk= 1021, nxpk= 25, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 557, 558, 557, 558,
&end
#
# 37 GLN HB- 0 AMB 25-1:1022 3.50 (# 1022:25 Single Ambig)
&rst
ixpk= 1022, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 554, 555,
igr2= 557, 558, 557, 558,
&end
#
# 0 AMB 25-2:1023 0 AMB 25-1:1023 4.50 (# 1023:25 Double Ambig)
&rst
ixpk= 1023, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1527,1528,1529,1531,1532,1533, 938, 939, 940, 942,
943, 944,
igr2= 557, 558, 557, 558, 557, 558,
&end
#
# 0 AMB 25-2:1024 0 AMB 25-1:1024 4.50 (# 1024:25 Double Ambig)
&rst
ixpk= 1024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 557, 558, 557, 558, 557, 558,
&end
#
# 97 VAL MGX 0 AMB 25-1:1025 4.50 (# 1025:25 Single Ambig)
&rst
ixpk= 1025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1527,1528,1529,1531,1532,1533,
igr2= 557, 558, 557, 558,
&end
#
# 39 ILE HN 38 GLU HA 2.80 (# 1027:25 Unique 2.39, 2.61 A)
&rst
ixpk= 1027, nxpk= 25, iat= 582, 569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 GLU HN 38 GLU HA 4.50 (# 1028:25 Unique 2.79, 2.87 A)
&rst
ixpk= 1028, nxpk= 25, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1029 38 GLU HA 2.80 (# 1029:25 Single Ambig)
&rst
ixpk= 1029, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 571, 572, 571, 572,
&end
#
# 0 AMB 25-2:1030 38 GLU HA 3.50 (# 1030:25 Single Ambig)
&rst
ixpk= 1030, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1032 38 GLU HA 3.50 (# 1032:25 Single Ambig)
&rst
ixpk= 1032, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 595, 596, 597, 540, 541, 542, 544, 545, 546,
&end
#
# 36 VAL MGX 38 GLU HA 4.50 (# 1033:25 Unique 2.95, 5.73 A)
&rst
ixpk= 1033, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 25-2:1034 38 GLU HA 5.50 (# 1034:25 Single Ambig)
&rst
ixpk= 1034, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 0 AMB 25-2:1035 38 GLU HA 5.50 (# 1035:25 Single Ambig)
&rst
ixpk= 1035, nxpk= 25, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 592, 593, 592, 593,
&end
#
# 39 ILE HN 0 AMB 25-1:1036 3.50 (# 1036:25 Single Ambig)
&rst
ixpk= 1036, nxpk= 25, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 571, 572, 571, 572,
&end
#
# 0 AMB 25-2:1037 0 AMB 25-1:1037 5.50 (# 1037:25 Double Ambig)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 562, 563, 562, 563,
igr2= 571, 572, 571, 572,
&end
#
# 38 GLU HN 0 AMB 25-1:1038 5.50 (# 1038:25 Single Ambig)
&rst
ixpk= 1038, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 571, 572, 571, 572,
&end
#
# 38 GLU HA 0 AMB 25-1:1039 2.80 (# 1039:25 Single Ambig)
&rst
ixpk= 1039, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 571, 572, 571, 572,
&end
#
# 0 AMB 25-2:1041 0 AMB 25-1:1041 2.80 (# 1041:25 Double Ambig)
&rst
ixpk= 1041, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 574, 575, 574, 575, 574, 575,
igr2= 571, 572, 571, 572, 571, 572,
&end
#
# 0 AMB 25-2:1042 0 AMB 25-1:1042 5.50 (# 1042:25 Double Ambig)
&rst
ixpk= 1042, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 601, 550,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1043 0 AMB 25-1:1043 5.50 (# 1043:25 Double Ambig)
&rst
ixpk= 1043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1405, 948,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 39 ILE HN 0 AMB 25-1:1044 3.50 (# 1044:25 Single Ambig)
&rst
ixpk= 1044, nxpk= 25, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1045 0 AMB 25-1:1045 5.50 (# 1045:25 Double Ambig)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 562, 563, 562, 563,
igr2= 574, 575, 574, 575,
&end
#
# 38 GLU HN 0 AMB 25-1:1046 4.50 (# 1046:25 Single Ambig)
&rst
ixpk= 1046, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 574, 575, 574, 575,
&end
#
# 40 ARG HA 0 AMB 25-1:1047 5.50 (# 1047:25 Single Ambig)
&rst
ixpk= 1047, nxpk= 25, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 574, 575, 574, 575,
&end
#
# 38 GLU HA 0 AMB 25-1:1048 3.50 (# 1048:25 Single Ambig)
&rst
ixpk= 1048, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1049 0 AMB 25-1:1049 5.50 (# 1049:25 Double Ambig)
&rst
ixpk= 1049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 611, 612, 611, 612, 611, 612,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1050 0 AMB 25-1:1050 4.50 (# 1050:25 Double Ambig)
&rst
ixpk= 1050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 554, 555, 933, 934, 933, 934,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1051 0 AMB 25-1:1051 4.50 (# 1051:25 Double Ambig)
&rst
ixpk= 1051, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 592, 593, 592, 593, 592, 593,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:1052 0 AMB 25-1:1052 2.80 (# 1052:25 Double Ambig)
&rst
ixpk= 1052, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 574, 575, 574, 575, 574, 575,
&end
#
# 40 ARG HN 39 ILE HB 5.50 (# 1054:25 Unique 3.83, 4.12 A)
&rst
ixpk= 1054, nxpk= 25, iat= 601, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HN 39 ILE HB 3.50 (# 1055:25 Unique 2.59, 2.75 A)
&rst
ixpk= 1055, nxpk= 25, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ILE HA 39 ILE HB 4.50 (# 1056:25 Unique 2.97, 3.05 A)
&rst
ixpk= 1056, nxpk= 25, iat= 584, 586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1059 39 ILE HB 3.50 (# 1059:25 Single Ambig)
&rst
ixpk= 1059, nxpk= 25, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1636,1637,1638,1640,1641,1642, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:1060 39 ILE HB 2.80 (# 1060:25 Single Ambig)
&rst
ixpk= 1060, nxpk= 25, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 595, 596, 597, 588, 589, 590,
&end
#
# 0 AMB 25-2:1061 39 ILE HB 2.80 (# 1061:25 Single Ambig)
&rst
ixpk= 1061, nxpk= 25, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 592, 593, 592, 593,
&end
#
# 39 ILE HN 0 AMB 25-1:1062 4.50 (# 1062:25 Single Ambig)
&rst
ixpk= 1062, nxpk= 25, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 592, 593, 592, 593,
&end
#
# 39 ILE HA 0 AMB 25-1:1063 3.50 (# 1063:25 Single Ambig)
&rst
ixpk= 1063, nxpk= 25, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 592, 593, 592, 593,
&end
#
# 38 GLU HA 0 AMB 25-1:1064 5.50 (# 1064:25 Single Ambig)
&rst
ixpk= 1064, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 592, 593, 592, 593,
&end
#
# 0 AMB 25-2:1065 0 AMB 25-1:1065 2.80 (# 1065:25 Double Ambig)
&rst
ixpk= 1065, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 595, 596, 597, 287, 288, 289, 291, 292, 293, 540,
541, 542, 544, 545, 546,
igr2= 592, 593, 592, 593, 592, 593, 592, 593,
&end
#
# 40 ARG HN 39 ILE QG2 3.50 (# 1066:25 Unique 2.26, 3.29 A)
&rst
ixpk= 1066, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 588, 589, 590,
&end
#
# 90 VAL HN 39 ILE QG2 5.50 (# 1067:25 Unique 4.31, 5.73 A)
&rst
ixpk= 1067, nxpk= 25, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 588, 589, 590,
&end
#
# 89 ILE HN 39 ILE QG2 5.50 (# 1068:25 Unique 4.37, 5.96 A)
&rst
ixpk= 1068, nxpk= 25, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 588, 589, 590,
&end
#
# 0 AMB 25-2:1069 39 ILE QG2 4.50 (# 1069:25 Single Ambig)
&rst
ixpk= 1069, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1630, 582,
igr2= 588, 589, 590,
&end
#
# 40 ARG HA 39 ILE QG2 5.50 (# 1070:25 Unique 3.18, 4.51 A)
&rst
ixpk= 1070, nxpk= 25, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 588, 589, 590,
&end
#
# 39 ILE HA 39 ILE QG2 3.50 (# 1071:25 Unique 2.53, 3.27 A)
&rst
ixpk= 1071, nxpk= 25, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 588, 589, 590,
&end
#
# 87 VAL HA 39 ILE QG2 4.50 (# 1072:25 Unique 4.07, 5.31 A)
&rst
ixpk= 1072, nxpk= 25, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 588, 589, 590,
&end
#
# 89 ILE HA 39 ILE QG2 4.50 (# 1073:25 Unique 2.80, 4.26 A)
&rst
ixpk= 1073, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 588, 589, 590,
&end
#
# 0 AMB 25-2:1074 39 ILE QG2 5.50 (# 1074:25 Single Ambig)
&rst
ixpk= 1074, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1625,1626,1407,
igr2= 588, 589, 590,
&end
#
# 105 VAL HB 39 ILE QG2 5.50 (# 1075:25 Unique 4.33, 5.54 A)
&rst
ixpk= 1075, nxpk= 25, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 588, 589, 590,
&end
#
# 0 AMB 25-2:1076 39 ILE QG2 4.50 (# 1076:25 Single Ambig)
&rst
ixpk= 1076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1358, 605, 606,
igr2= 588, 589, 590,
&end
#
# 39 ILE HB 39 ILE QG2 2.80 (# 1077:25 Unique 2.42, 2.65 A)
&rst
ixpk= 1077, nxpk= 25, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 588, 589, 590,
&end
#
# 0 AMB 25-2:1078 39 ILE QG2 2.80 (# 1078:25 Single Ambig)
&rst
ixpk= 1078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 592, 593, 592, 593,
igr2= 588, 589, 590,
&end
#
# 0 AMB 25-2:1080 39 ILE QD1 5.50 (# 1080:25 Single Ambig)
&rst
ixpk= 1080, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 550, 601,
igr2= 595, 596, 597,
&end
#
# 90 VAL HN 39 ILE QD1 5.50 (# 1081:25 Unique 3.87, 5.15 A)
&rst
ixpk= 1081, nxpk= 25, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 39 ILE HN 39 ILE QD1 4.50 (# 1082:25 Unique 2.94, 3.95 A)
&rst
ixpk= 1082, nxpk= 25, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 595, 596, 597,
&end
#
# 39 ILE HA 39 ILE QD1 4.50 (# 1083:25 Unique 3.25, 4.25 A)
&rst
ixpk= 1083, nxpk= 25, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 595, 596, 597,
&end
#
# 38 GLU HA 39 ILE QD1 5.50 (# 1084:25 Unique 2.50, 4.18 A)
&rst
ixpk= 1084, nxpk= 25, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 89 ILE HA 39 ILE QD1 5.50 (# 1085:25 Unique 3.65, 4.78 A)
&rst
ixpk= 1085, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 36 VAL HB 39 ILE QD1 5.50 (# 1086:25 Unique 4.35, 5.21 A)
&rst
ixpk= 1086, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 0 AMB 25-2:1087 39 ILE QD1 3.50 (# 1087:25 Single Ambig)
&rst
ixpk= 1087, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 571, 572, 571, 572,1634,
igr2= 595, 596, 597,
&end
#
# 39 ILE HB 39 ILE QD1 2.80 (# 1088:25 Unique 2.30, 2.95 A)
&rst
ixpk= 1088, nxpk= 25, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 595, 596, 597,
&end
#
# 0 AMB 25-2:1089 39 ILE QD1 2.80 (# 1089:25 Single Ambig)
&rst
ixpk= 1089, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 592, 593, 592, 593,
igr2= 595, 596, 597,
&end
#
# 40 ARG HA 40 ARG HB+ 4.50 (# 1090:25 Unique 2.26, 2.79 A)
&rst
ixpk= 1090, nxpk= 25, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 605, 606,
&end
#
# 40 ARG HA 40 ARG HB- 4.50 (# 1091:25 Unique 2.26, 2.79 A)
&rst
ixpk= 1091, nxpk= 25, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 605, 606,
&end
#
# 88 VAL HA 40 ARG HB+ 5.50 (# 1092:25 Unique 5.89, 7.13 A)
&rst
ixpk= 1092, nxpk= 25, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 605, 606,
&end
#
# 88 VAL HA 40 ARG HB- 5.50 (# 1093:25 Unique 5.89, 7.13 A)
&rst
ixpk= 1093, nxpk= 25, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 605, 606,
&end
#
# 41 GLY HN 40 ARG HB+ 4.50 (# 1094:25 Unique 2.05, 3.25 A)
&rst
ixpk= 1094, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 605, 606,
&end
#
# 41 GLY HN 40 ARG HB- 4.50 (# 1095:25 Unique 2.05, 3.25 A)
&rst
ixpk= 1095, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 605, 606,
&end
#
# 40 ARG HN 40 ARG HB+ 5.50 (# 1096:25 Unique 2.71, 3.41 A)
&rst
ixpk= 1096, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 605, 606,
&end
#
# 40 ARG HN 40 ARG HB- 5.50 (# 1097:25 Unique 2.71, 3.41 A)
&rst
ixpk= 1097, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 605, 606,
&end
#
# 42 TYR HN 41 GLY HA+ 4.50 (# 1100:25 Unique 2.09, 2.55 A)
&rst
ixpk= 1100, nxpk= 25, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 627, 628,
&end
#
# 42 TYR HN 41 GLY HA- 3.50 (# 1101:25 Unique 2.09, 2.55 A)
&rst
ixpk= 1101, nxpk= 25, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 627, 628,
&end
#
# 41 GLY HN 41 GLY HA- 3.50 (# 1102:25 Unique 2.25, 2.60 A)
&rst
ixpk= 1102, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 627, 628,
&end
#
# 41 GLY HN 41 GLY HA+ 5.50 (# 1103:25 Unique 2.25, 2.60 A)
&rst
ixpk= 1103, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 627, 628,
&end
#
# 87 VAL HA 41 GLY HA- 4.50 (# 1107:25 Unique 2.07, 3.46 A)
&rst
ixpk= 1107, nxpk= 25, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 627, 628,
&end
#
# 88 VAL HN 42 TYR HA 5.50 (# 1108:25 Unique 3.99, 5.16 A)
&rst
ixpk= 1108, nxpk= 25, iat=1370, 634, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TYR HN 42 TYR HA 4.50 (# 1109:25 Unique 2.13, 2.74 A)
&rst
ixpk= 1109, nxpk= 25, iat= 632, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1110 42 TYR HA 3.50 (# 1110:25 Single Ambig)
&rst
ixpk= 1110, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 653, 677, 678,
&end
#
# 0 AMB 25-2:1111 42 TYR HA 5.50 (# 1111:25 Single Ambig)
&rst
ixpk= 1111, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 642, 647,1335,1336,
&end
#
# 0 AMB 25-2:1113 42 TYR HA 5.50 (# 1113:25 Single Ambig)
&rst
ixpk= 1113, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 677, 678, 640, 649,
&end
#
# 42 TYR HB+ 42 TYR HA 4.50 (# 1114:25 Unique 2.29, 2.53 A)
&rst
ixpk= 1114, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 636, 637,
&end
#
# 42 TYR HB- 42 TYR HA 3.50 (# 1115:25 Unique 2.29, 2.53 A)
&rst
ixpk= 1115, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 636, 637,
&end
#
# 0 AMB 25-2:1116 42 TYR HA 5.50 (# 1116:25 Single Ambig)
&rst
ixpk= 1116, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1346,1347,1348,1054,1055,1054,1055,
&end
#
# 88 VAL MGY 42 TYR HA 3.50 (# 1117:25 Unique 2.33, 5.33 A)
&rst
ixpk= 1117, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 88 VAL MGX 42 TYR HA 5.50 (# 1118:25 Unique 2.33, 5.33 A)
&rst
ixpk= 1118, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 45 VAL MGX 42 TYR HA 5.50 (# 1119:25 Unique 2.23, 6.49 A)
&rst
ixpk= 1119, nxpk= 25, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 42 TYR HN 42 TYR HB+ 4.50 (# 1120:25 Unique 2.00, 2.89 A)
&rst
ixpk= 1120, nxpk= 25, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 636, 637,
&end
#
# 42 TYR HN 42 TYR HB- 4.50 (# 1121:25 Unique 2.00, 2.89 A)
&rst
ixpk= 1121, nxpk= 25, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 636, 637,
&end
#
# 0 AMB 25-2:1122 0 AMB 25-1:1122 4.50 (# 1122:25 Double Ambig)
&rst
ixpk= 1122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 642, 647,1335,1336,
igr2= 636, 637, 636, 637,
&end
#
# 0 AMB 25-2:1123 0 AMB 25-1:1123 4.50 (# 1123:25 Double Ambig)
&rst
ixpk= 1123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 640, 649, 677, 678,
igr2= 636, 637, 636, 637,
&end
#
# 0 AMB 25-2:1125 42 TYR HB- 5.50 (# 1125:25 Single Ambig)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 640, 649, 677, 678,
igr2= 636, 637,
&end
#
# 42 TYR HA 42 TYR HB+ 4.50 (# 1126:25 Unique 2.29, 2.53 A)
&rst
ixpk= 1126, nxpk= 25, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 636, 637,
&end
#
# 0 AMB 25-2:1127 42 TYR HB- 4.50 (# 1127:25 Single Ambig)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1342, 634,
igr2= 636, 637,
&end
#
# 86 THR MG2 42 TYR HB+ 5.50 (# 1128:25 Unique 4.65, 6.00 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1346,1347,1348,
igr2= 636, 637,
&end
#
# 86 THR MG2 42 TYR HB- 5.50 (# 1129:25 Unique 4.65, 6.00 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1346,1347,1348,
igr2= 636, 637,
&end
#
# 0 AMB 25-2:1130 0 AMB 25-1:1130 5.50 (# 1130:25 Double Ambig)
&rst
ixpk= 1130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1376,1377,1378,1380,1381,1382,1585,1586,1587,1589,
1590,1591,
igr2= 636, 637, 636, 637,
&end
#
# 88 VAL MGY 42 TYR HB- 5.50 (# 1131:25 Unique 2.30, 7.00 A)
&rst
ixpk= 1131, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1376,1377,1378,1380,1381,1382,
igr2= 636, 637,
&end
#
# 94 GLY HN 93 LEU HA 4.50 (# 1132:25 Unique 2.15, 2.27 A)
&rst
ixpk= 1132, nxpk= 25, iat=1473,1456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1133 93 LEU HA 3.50 (# 1133:25 Single Ambig)
&rst
ixpk= 1133, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1454,2287,
&end
#
# 44 GLN HN 43 ASP HA 3.50 (# 1134:25 Unique 2.10, 3.14 A)
&rst
ixpk= 1134, nxpk= 25, iat= 665, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 VAL HN 43 ASP HA 5.50 (# 1135:25 Unique 3.02, 3.73 A)
&rst
ixpk= 1135, nxpk= 25, iat= 682, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HN 43 ASP HA 4.50 (# 1137:25 Unique 2.17, 2.41 A)
&rst
ixpk= 1137, nxpk= 25, iat= 653, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1138 93 LEU HA 5.50 (# 1138:25 Single Ambig)
&rst
ixpk= 1138, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1449,1450,2302,
&end
#
# 148 GLU HA 93 LEU HA 5.50 (# 1139:25 Unique 2.03, 3.57 A)
&rst
ixpk= 1139, nxpk= 25, iat=2289,1456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1141 43 ASP HA 2.80 (# 1141:25 Single Ambig)
&rst
ixpk= 1141, nxpk= 25, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 657, 658,1283,1284,
&end
#
# 43 ASP HB- 43 ASP HA 3.50 (# 1142:25 Unique 2.38, 2.74 A)
&rst
ixpk= 1142, nxpk= 25, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 657, 658,
&end
#
# 0 AMB 25-2:1143 93 LEU HA 5.50 (# 1143:25 Single Ambig)
&rst
ixpk= 1143, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:1144 93 LEU HA 5.50 (# 1144:25 Single Ambig)
&rst
ixpk= 1144, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1425,1426,2272,
&end
#
# 0 AMB 25-2:1145 93 LEU HA 2.80 (# 1145:25 Single Ambig)
&rst
ixpk= 1145, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1458,1459,1458,1459,
&end
#
# 0 AMB 25-2:1146 0 AMB 25-1:1146 4.50 (# 1146:25 Double Ambig)
&rst
ixpk= 1146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 686,1504,1505,1504,1505,2328,2329,
igr2= 655,1456,
&end
#
# 0 AMB 25-2:1147 93 LEU HA 3.50 (# 1147:25 Single Ambig)
&rst
ixpk= 1147, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
&end
#
# 44 GLN HN 43 ASP HB+ 4.50 (# 1148:25 Unique 2.27, 3.87 A)
&rst
ixpk= 1148, nxpk= 25, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 657, 658,
&end
#
# 44 GLN HN 43 ASP HB- 4.50 (# 1149:25 Unique 2.27, 3.87 A)
&rst
ixpk= 1149, nxpk= 25, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 657, 658,
&end
#
# 45 VAL HN 43 ASP HB+ 5.50 (# 1150:25 Unique 4.44, 5.40 A)
&rst
ixpk= 1150, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 657, 658,
&end
#
# 45 VAL HN 43 ASP HB- 5.50 (# 1151:25 Unique 4.44, 5.40 A)
&rst
ixpk= 1151, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 657, 658,
&end
#
# 0 AMB 25-2:1152 0 AMB 25-1:1152 4.50 (# 1152:25 Double Ambig)
&rst
ixpk= 1152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 653, 677, 678,
igr2= 657, 658, 657, 658,
&end
#
# 0 AMB 25-2:1153 43 ASP HB- 4.50 (# 1153:25 Single Ambig)
&rst
ixpk= 1153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 653, 677, 678,
igr2= 657, 658,
&end
#
# 0 AMB 25-2:1154 0 AMB 25-1:1154 3.50 (# 1154:25 Double Ambig)
&rst
ixpk= 1154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 655,1281,
igr2= 657, 658, 657, 658,
&end
#
# 0 AMB 25-2:1155 43 ASP HB- 3.50 (# 1155:25 Single Ambig)
&rst
ixpk= 1155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 655,1281,
igr2= 657, 658,
&end
#
# 44 GLN HN 44 GLN HA 3.50 (# 1156:25 Unique 2.20, 2.77 A)
&rst
ixpk= 1156, nxpk= 25, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 VAL HN 44 GLN HA 2.80 (# 1157:25 Unique 2.00, 3.21 A)
&rst
ixpk= 1157, nxpk= 25, iat= 682, 667, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 GLN HG- 44 GLN HA 3.50 (# 1160:25 Unique 2.45, 3.38 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 672, 673,
&end
#
# 44 GLN HB+ 44 GLN HA 2.80 (# 1161:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1161, nxpk= 25, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 669, 670,
&end
#
# 44 GLN HB- 44 GLN HA 2.80 (# 1162:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1162, nxpk= 25, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 669, 670,
&end
#
# 45 VAL MGX 44 GLN HA 5.50 (# 1164:25 Unique 3.37, 6.29 A)
&rst
ixpk= 1164, nxpk= 25, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL MGY 44 GLN HA 5.50 (# 1165:25 Unique 3.37, 6.29 A)
&rst
ixpk= 1165, nxpk= 25, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1166 0 AMB 25-1:1166 4.50 (# 1166:25 Double Ambig)
&rst
ixpk= 1166, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 665, 915,
igr2= 669, 670, 669, 670,
&end
#
# 0 AMB 25-2:1167 44 GLN HB- 3.50 (# 1167:25 Single Ambig)
&rst
ixpk= 1167, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 665, 915,
igr2= 669, 670,
&end
#
# 45 VAL HN 44 GLN HB+ 5.50 (# 1168:25 Unique 2.85, 4.11 A)
&rst
ixpk= 1168, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 669, 670,
&end
#
# 45 VAL HN 44 GLN HB- 4.50 (# 1169:25 Unique 2.85, 4.11 A)
&rst
ixpk= 1169, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 669, 670,
&end
#
# 59 THR HA 44 GLN HB+ 5.50 (# 1170:25 Unique 3.90, 5.40 A)
&rst
ixpk= 1170, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 669, 670,
&end
#
# 59 THR HA 44 GLN HB- 5.50 (# 1171:25 Unique 3.90, 5.40 A)
&rst
ixpk= 1171, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 669, 670,
&end
#
# 44 GLN HA 44 GLN HB+ 3.50 (# 1172:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1172, nxpk= 25, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 669, 670,
&end
#
# 44 GLN HA 44 GLN HB- 3.50 (# 1173:25 Unique 2.26, 2.60 A)
&rst
ixpk= 1173, nxpk= 25, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 669, 670,
&end
#
# 0 AMB 25-2:1174 0 AMB 25-1:1174 4.50 (# 1174:25 Double Ambig)
&rst
ixpk= 1174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 665, 915,
igr2= 672, 673, 672, 673,
&end
#
# 0 AMB 25-2:1175 44 GLN HG- 4.50 (# 1175:25 Single Ambig)
&rst
ixpk= 1175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 665, 915,
igr2= 672, 673,
&end
#
# 45 VAL HN 44 GLN HG+ 5.50 (# 1176:25 Unique 2.59, 4.53 A)
&rst
ixpk= 1176, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 672, 673,
&end
#
# 45 VAL HN 44 GLN HG- 5.50 (# 1177:25 Unique 2.59, 4.53 A)
&rst
ixpk= 1177, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 672, 673,
&end
#
# 0 AMB 25-2:1178 0 AMB 25-1:1178 5.50 (# 1178:25 Double Ambig)
&rst
ixpk= 1178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 677, 678, 653,
igr2= 672, 673, 672, 673,
&end
#
# 0 AMB 25-2:1179 44 GLN HG- 5.50 (# 1179:25 Single Ambig)
&rst
ixpk= 1179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 677, 678, 653,
igr2= 672, 673,
&end
#
# 44 GLN HA 44 GLN HG+ 3.50 (# 1180:25 Unique 2.45, 3.38 A)
&rst
ixpk= 1180, nxpk= 25, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 672, 673,
&end
#
# 44 GLN HA 44 GLN HG- 3.50 (# 1181:25 Unique 2.45, 3.38 A)
&rst
ixpk= 1181, nxpk= 25, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 672, 673,
&end
#
# 46 THR HN 45 VAL HB 4.50 (# 1182:25 Unique 2.45, 3.44 A)
&rst
ixpk= 1182, nxpk= 25, iat= 698, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1183 45 VAL HB 5.50 (# 1183:25 Single Ambig)
&rst
ixpk= 1183, nxpk= 25, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 885, 712,
&end
#
# 45 VAL HN 45 VAL HB 3.50 (# 1184:25 Unique 2.39, 3.02 A)
&rst
ixpk= 1184, nxpk= 25, iat= 682, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 THR HA 45 VAL HB 5.50 (# 1185:25 Unique 4.35, 5.23 A)
&rst
ixpk= 1185, nxpk= 25, iat= 903, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ARG HA 45 VAL HB 5.50 (# 1186:25 Unique 4.34, 5.81 A)
&rst
ixpk= 1186, nxpk= 25, iat= 714, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 VAL HA 45 VAL HB 4.50 (# 1187:25 Unique 2.48, 2.82 A)
&rst
ixpk= 1187, nxpk= 25, iat= 684, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 VAL MGY 45 VAL HB 2.80 (# 1189:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1189, nxpk= 25, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL MGX 45 VAL HB 2.80 (# 1190:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1190, nxpk= 25, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 46 THR HN 45 VAL HA 3.50 (# 1192:25 Unique 2.13, 2.24 A)
&rst
ixpk= 1192, nxpk= 25, iat= 698, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL HN 45 VAL HA 5.50 (# 1193:25 Unique 3.98, 4.41 A)
&rst
ixpk= 1193, nxpk= 25, iat= 885, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 VAL HN 45 VAL HA 5.50 (# 1194:25 Unique 2.78, 2.85 A)
&rst
ixpk= 1194, nxpk= 25, iat= 682, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 THR HA 45 VAL HA 4.50 (# 1195:25 Unique 2.05, 2.59 A)
&rst
ixpk= 1195, nxpk= 25, iat= 903, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 VAL HB 45 VAL HA 4.50 (# 1197:25 Unique 2.48, 2.82 A)
&rst
ixpk= 1197, nxpk= 25, iat= 686, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1198 45 VAL HA 5.50 (# 1198:25 Single Ambig)
&rst
ixpk= 1198, nxpk= 25, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 907, 908, 909,1585,1586,1587,1589,1590,1591,
&end
#
# 45 VAL MGY 45 VAL HA 4.50 (# 1199:25 Unique 2.37, 3.31 A)
&rst
ixpk= 1199, nxpk= 25, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL MGX 45 VAL HA 3.50 (# 1200:25 Unique 2.37, 3.31 A)
&rst
ixpk= 1200, nxpk= 25, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 46 THR HN 45 VAL MGY 4.50 (# 1201:25 Unique 2.49, 4.36 A)
&rst
ixpk= 1201, nxpk= 25, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1202 45 VAL MGY 4.50 (# 1202:25 Single Ambig)
&rst
ixpk= 1202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 885, 712,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL HN 45 VAL MGY 5.50 (# 1203:25 Unique 1.88, 3.45 A)
&rst
ixpk= 1203, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 57 GLY HN 45 VAL MGY 5.50 (# 1204:25 Unique 3.51, 6.33 A)
&rst
ixpk= 1204, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 59 THR HA 45 VAL MGY 3.50 (# 1205:25 Unique 3.48, 5.39 A)
&rst
ixpk= 1205, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 57 GLY HA+ 45 VAL MGY 4.50 (# 1206:25 Unique 2.29, 5.97 A)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 880, 881,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1207 45 VAL MGY 5.50 (# 1207:25 Single Ambig)
&rst
ixpk= 1207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 714, 700,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1208 45 VAL MGY 3.50 (# 1208:25 Single Ambig)
&rst
ixpk= 1208, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 634, 684,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 56 LYS HA 45 VAL MGY 5.50 (# 1209:25 Unique 3.83, 7.13 A)
&rst
ixpk= 1209, nxpk= 25, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1210 45 VAL MGY 5.50 (# 1210:25 Single Ambig)
&rst
ixpk= 1210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 667, 702,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 59 THR HB 45 VAL MGY 5.50 (# 1211:25 Unique 2.08, 4.18 A)
&rst
ixpk= 1211, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 57 GLY HA- 45 VAL MGY 5.50 (# 1212:25 Unique 2.29, 5.97 A)
&rst
ixpk= 1212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 880, 881,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1213 45 VAL MGY 4.50 (# 1213:25 Single Ambig)
&rst
ixpk= 1213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 860, 861, 716, 717,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1214 45 VAL MGY 3.50 (# 1214:25 Single Ambig)
&rst
ixpk= 1214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1048, 716, 717,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL HB 45 VAL MGY 2.80 (# 1215:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1215, nxpk= 25, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 56 LYS HB- 45 VAL MGY 5.50 (# 1216:25 Unique 2.18, 6.05 A)
&rst
ixpk= 1216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 860, 861,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1217 45 VAL MGY 3.50 (# 1217:25 Single Ambig)
&rst
ixpk= 1217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1054,1055,1054,1055,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1218 45 VAL MGY 3.50 (# 1218:25 Single Ambig)
&rst
ixpk= 1218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1585,1586,1587,1589,1590,1591, 907, 908, 909,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 68 ILE QG2 45 VAL MGY 2.80 (# 1219:25 Unique 2.39, 4.88 A)
&rst
ixpk= 1219, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1050,1051,1052,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 46 THR HN 45 VAL MGX 5.50 (# 1220:25 Unique 2.49, 4.36 A)
&rst
ixpk= 1220, nxpk= 25, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1221 45 VAL MGX 5.50 (# 1221:25 Single Ambig)
&rst
ixpk= 1221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 885, 712,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL HN 45 VAL MGX 4.50 (# 1222:25 Unique 1.88, 3.45 A)
&rst
ixpk= 1222, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1223 45 VAL MGX 5.50 (# 1223:25 Single Ambig)
&rst
ixpk= 1223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 677, 678, 653,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 59 THR HA 45 VAL MGX 4.50 (# 1226:25 Unique 3.48, 5.39 A)
&rst
ixpk= 1226, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1227 45 VAL MGX 5.50 (# 1227:25 Single Ambig)
&rst
ixpk= 1227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 714, 700,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1228 45 VAL MGX 3.50 (# 1228:25 Single Ambig)
&rst
ixpk= 1228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 634, 684,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1230 45 VAL MGX 5.50 (# 1230:25 Single Ambig)
&rst
ixpk= 1230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 667, 702,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 59 THR HB 45 VAL MGX 5.50 (# 1231:25 Unique 2.08, 4.18 A)
&rst
ixpk= 1231, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1232 45 VAL MGX 5.50 (# 1232:25 Single Ambig)
&rst
ixpk= 1232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 716, 717, 669, 670,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1233 45 VAL MGX 5.50 (# 1233:25 Single Ambig)
&rst
ixpk= 1233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 716, 717, 669, 670,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 68 ILE HB 45 VAL MGX 4.50 (# 1234:25 Unique 2.40, 4.60 A)
&rst
ixpk= 1234, nxpk= 25, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL HB 45 VAL MGX 2.80 (# 1235:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1235, nxpk= 25, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1236 45 VAL MGX 4.50 (# 1236:25 Single Ambig)
&rst
ixpk= 1236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1054,1055,1054,1055,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1237 45 VAL MGX 2.80 (# 1237:25 Single Ambig)
&rst
ixpk= 1237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1050,1051,1052, 749, 750, 751,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1238 45 VAL MGX 4.50 (# 1238:25 Single Ambig)
&rst
ixpk= 1238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1376,1377,1378,1380,1381,1382,1057,1058,1059,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1239 45 VAL MGX 5.50 (# 1239:25 Single Ambig)
&rst
ixpk= 1239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 716, 717, 669, 670,
igr2= 688, 689, 690, 692, 693, 694,
&end
#
# 46 THR HN 46 THR HA 4.50 (# 1240:25 Unique 2.87, 2.96 A)
&rst
ixpk= 1240, nxpk= 25, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ARG HN 46 THR HA 3.50 (# 1241:25 Unique 2.15, 2.45 A)
&rst
ixpk= 1241, nxpk= 25, iat= 712, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 THR HB 46 THR HA 4.50 (# 1245:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1245, nxpk= 25, iat= 702, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 THR MG2 46 THR HA 3.50 (# 1248:25 Unique 2.47, 3.12 A)
&rst
ixpk= 1248, nxpk= 25, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 704, 705, 706,
&end
#
# 46 THR HN 46 THR HB 4.50 (# 1249:25 Unique 2.40, 2.68 A)
&rst
ixpk= 1249, nxpk= 25, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ARG HN 46 THR HB 5.50 (# 1250:25 Unique 2.08, 4.00 A)
&rst
ixpk= 1250, nxpk= 25, iat= 712, 702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 THR HA 46 THR HB 5.50 (# 1251:25 Unique 2.99, 4.30 A)
&rst
ixpk= 1251, nxpk= 25, iat= 903, 702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 THR HA 46 THR HB 3.50 (# 1252:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1252, nxpk= 25, iat= 700, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 THR MG2 46 THR HB 2.80 (# 1253:25 Unique 2.41, 2.66 A)
&rst
ixpk= 1253, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 704, 705, 706,
&end
#
# 0 AMB 25-2:1256 46 THR HB 4.50 (# 1256:25 Single Ambig)
&rst
ixpk= 1256, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,
&end
#
# 46 THR HN 46 THR MG2 4.50 (# 1257:25 Unique 4.34, 4.69 A)
&rst
ixpk= 1257, nxpk= 25, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 704, 705, 706,
&end
#
# 47 ARG HN 46 THR MG2 3.50 (# 1258:25 Unique 2.36, 3.97 A)
&rst
ixpk= 1258, nxpk= 25, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 704, 705, 706,
&end
#
# 59 THR HA 46 THR MG2 5.50 (# 1259:25 Unique 5.15, 6.61 A)
&rst
ixpk= 1259, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 704, 705, 706,
&end
#
# 0 AMB 25-2:1261 46 THR MG2 3.50 (# 1261:25 Single Ambig)
&rst
ixpk= 1261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 700, 714,
igr2= 704, 705, 706,
&end
#
# 46 THR HB 46 THR MG2 2.80 (# 1263:25 Unique 2.41, 2.66 A)
&rst
ixpk= 1263, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 704, 705, 706,
&end
#
# 0 AMB 25-2:1265 46 THR MG2 4.50 (# 1265:25 Single Ambig)
&rst
ixpk= 1265, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897, 749, 750, 751,1008,1009,1010,
igr2= 704, 705, 706,
&end
#
# 0 AMB 25-2:1266 47 ARG HA 3.50 (# 1266:25 Single Ambig)
&rst
ixpk= 1266, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 712, 885, 755,
&end
#
# 48 ILE HN 47 ARG HA 3.50 (# 1267:25 Unique 2.15, 2.36 A)
&rst
ixpk= 1267, nxpk= 25, iat= 736, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 GLY HA- 47 ARG HA 4.50 (# 1268:25 Unique 2.10, 3.15 A)
&rst
ixpk= 1268, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 881,
&end
#
# 47 ARG HB- 47 ARG HA 2.80 (# 1269:25 Unique 2.35, 2.72 A)
&rst
ixpk= 1269, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 716, 717,
&end
#
# 45 VAL HB 47 ARG HA 5.50 (# 1270:25 Unique 4.34, 5.81 A)
&rst
ixpk= 1270, nxpk= 25, iat= 686, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1271 47 ARG HA 5.50 (# 1271:25 Single Ambig)
&rst
ixpk= 1271, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 749, 750, 751, 891, 892, 893, 895, 896, 897, 891,
892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1272 47 ARG HA 5.50 (# 1272:25 Single Ambig)
&rst
ixpk= 1272, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 746, 747, 704, 705, 706,
&end
#
# 0 AMB 25-2:1273 0 AMB 25-1:1273 5.50 (# 1273:25 Double Ambig)
&rst
ixpk= 1273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 736,2164,
igr2= 719, 720,2147,2148,
&end
#
# 0 AMB 25-2:1274 0 AMB 25-1:1274 4.50 (# 1274:25 Double Ambig)
&rst
ixpk= 1274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 736,2164,
igr2= 719, 720,2147,2148,
&end
#
# 140 ARG HE 140 ARG HG+ 3.50 (# 1275:25 Unique 2.37, 3.06 A)
&rst
ixpk= 1275, nxpk= 25, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2147,2148,
&end
#
# 140 ARG HE 140 ARG HG- 4.50 (# 1276:25 Unique 2.37, 3.06 A)
&rst
ixpk= 1276, nxpk= 25, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2147,2148,
&end
#
# 140 ARG HN 140 ARG HG+ 5.50 (# 1277:25 Unique 2.34, 3.44 A)
&rst
ixpk= 1277, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2147,2148,
&end
#
# 140 ARG HN 140 ARG HG- 5.50 (# 1278:25 Unique 2.34, 3.44 A)
&rst
ixpk= 1278, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2147,2148,
&end
#
# 0 AMB 25-2:1279 0 AMB 25-1:1279 4.50 (# 1279:25 Double Ambig)
&rst
ixpk= 1279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 714,2142,
igr2= 719, 720,2147,2148,
&end
#
# 0 AMB 25-2:1280 0 AMB 25-1:1280 4.50 (# 1280:25 Double Ambig)
&rst
ixpk= 1280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 714,2142,
igr2= 719, 720,2147,2148,
&end
#
# 0 AMB 25-2:1281 0 AMB 25-1:1281 3.50 (# 1281:25 Double Ambig)
&rst
ixpk= 1281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 722, 723,2150,2151,
igr2= 719, 720,2147,2148,
&end
#
# 0 AMB 25-2:1282 0 AMB 25-1:1282 4.50 (# 1282:25 Double Ambig)
&rst
ixpk= 1282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 722, 723,2150,2151,
igr2= 719, 720,2147,2148,
&end
#
# 0 AMB 25-2:1283 0 AMB 25-1:1283 4.50 (# 1283:25 Double Ambig)
&rst
ixpk= 1283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 722, 723,2150,2151,
igr2= 719, 720,2147,2148,
&end
#
# 0 AMB 25-2:1284 0 AMB 25-1:1284 4.50 (# 1284:25 Double Ambig)
&rst
ixpk= 1284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 722, 723,2150,2151,
igr2= 719, 720,2147,2148,
&end
#
# 48 ILE HN 47 ARG HB- 4.50 (# 1285:25 Unique 2.15, 3.35 A)
&rst
ixpk= 1285, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 0 AMB 25-2:1286 47 ARG HB- 3.50 (# 1286:25 Single Ambig)
&rst
ixpk= 1286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 885, 712, 755,
igr2= 716, 717,
&end
#
# 140 ARG HE 140 ARG HD+ 4.50 (# 1290:25 Unique 2.26, 2.72 A)
&rst
ixpk= 1290, nxpk= 25, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2150,2151,
&end
#
# 140 ARG HE 140 ARG HD- 5.50 (# 1291:25 Unique 2.26, 2.72 A)
&rst
ixpk= 1291, nxpk= 25, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2150,2151,
&end
#
# 57 GLY HN 47 ARG HD- 4.50 (# 1296:25 Unique 5.22, 7.98 A)
&rst
ixpk= 1296, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 722, 723,
&end
#
# 57 GLY HN 47 ARG HD+ 4.50 (# 1297:25 Unique 5.22, 7.98 A)
&rst
ixpk= 1297, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 722, 723,
&end
#
# 0 AMB 25-2:1298 0 AMB 25-1:1298 4.50 (# 1298:25 Double Ambig)
&rst
ixpk= 1298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2144,2145, 716, 717,
igr2=2150,2151, 722, 723,
&end
#
# 0 AMB 25-2:1299 0 AMB 25-1:1299 4.50 (# 1299:25 Double Ambig)
&rst
ixpk= 1299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2144,2145, 716, 717,
igr2=2150,2151, 722, 723,
&end
#
# 0 AMB 25-2:1300 0 AMB 25-1:1300 3.50 (# 1300:25 Double Ambig)
&rst
ixpk= 1300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2144,2145, 716, 717,
igr2=2150,2151, 722, 723,
&end
#
# 0 AMB 25-2:1301 0 AMB 25-1:1301 3.50 (# 1301:25 Double Ambig)
&rst
ixpk= 1301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 719, 720,2147,2148,2106,2107,
igr2= 722, 723,2150,2151,2150,2151,
&end
#
# 0 AMB 25-2:1302 0 AMB 25-1:1302 4.50 (# 1302:25 Double Ambig)
&rst
ixpk= 1302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2144,2145, 716, 717,
igr2=2150,2151, 722, 723,
&end
#
# 0 AMB 25-2:1303 0 AMB 25-1:1303 3.50 (# 1303:25 Double Ambig)
&rst
ixpk= 1303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 719, 720,2147,2148,2106,2107,
igr2= 722, 723,2150,2151,
&end
#
# 0 AMB 25-2:1304 0 AMB 25-1:1304 4.50 (# 1304:25 Double Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 719, 720,2147,2148,2106,2107,
igr2= 722, 723,2150,2151,2150,2151,
&end
#
# 0 AMB 25-2:1305 0 AMB 25-1:1305 4.50 (# 1305:25 Double Ambig)
&rst
ixpk= 1305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 719, 720,2147,2148,2106,2107,
igr2= 722, 723,2150,2151,
&end
#
# 0 AMB 25-2:1306 0 AMB 25-1:1306 4.50 (# 1306:25 Double Ambig)
&rst
ixpk= 1306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
igr2=2150,2151,2150,2151,
&end
#
# 0 AMB 25-2:1307 140 ARG HD- 4.50 (# 1307:25 Single Ambig)
&rst
ixpk= 1307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,2111,2112,2113,2115,2116,2117,2111,2112,
2113,2115,2116,2117,
igr2=2150,2151,
&end
#
# 21 VAL MGY 140 ARG HD- 4.50 (# 1308:25 Unique 3.49, 6.62 A)
&rst
ixpk= 1308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 303, 304, 305, 307, 308, 309,
igr2=2150,2151,
&end
#
# 0 AMB 25-2:1309 0 AMB 25-1:1309 5.50 (# 1309:25 Double Ambig)
&rst
ixpk= 1309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2=2150,2151,2150,2151,
&end
#
# 0 AMB 25-2:1310 140 ARG HD- 4.50 (# 1310:25 Single Ambig)
&rst
ixpk= 1310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
igr2=2150,2151,
&end
#
# 49 ALA HN 48 ILE HA 4.50 (# 1311:25 Unique 2.17, 2.82 A)
&rst
ixpk= 1311, nxpk= 25, iat= 755, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HN 48 ILE HA 4.50 (# 1312:25 Unique 2.78, 2.91 A)
&rst
ixpk= 1312, nxpk= 25, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HB 48 ILE HA 4.50 (# 1313:25 Unique 2.56, 2.93 A)
&rst
ixpk= 1313, nxpk= 25, iat= 740, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HG1- 48 ILE HA 3.50 (# 1314:25 Unique 2.36, 3.33 A)
&rst
ixpk= 1314, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 746, 747,
&end
#
# 48 ILE HG1+ 48 ILE HA 4.50 (# 1315:25 Unique 2.36, 3.33 A)
&rst
ixpk= 1315, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 746, 747,
&end
#
# 51 THR MG2 48 ILE HA 5.50 (# 1316:25 Unique 2.25, 5.31 A)
&rst
ixpk= 1316, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 785, 786, 787,
&end
#
# 48 ILE QG2 48 ILE HA 3.50 (# 1317:25 Unique 2.26, 3.29 A)
&rst
ixpk= 1317, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 742, 743, 744,
&end
#
# 48 ILE QD1 48 ILE HA 4.50 (# 1318:25 Unique 2.06, 3.66 A)
&rst
ixpk= 1318, nxpk= 25, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 749, 750, 751,
&end
#
# 49 ALA HN 48 ILE HB 5.50 (# 1320:25 Unique 2.02, 3.22 A)
&rst
ixpk= 1320, nxpk= 25, iat= 755, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ILE HN 48 ILE HB 4.50 (# 1321:25 Unique 2.27, 2.71 A)
&rst
ixpk= 1321, nxpk= 25, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HA 48 ILE HB 3.50 (# 1323:25 Unique 2.56, 2.93 A)
&rst
ixpk= 1323, nxpk= 25, iat= 738, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 GLY HA- 48 ILE HB 5.50 (# 1325:25 Unique 1.97, 5.18 A)
&rst
ixpk= 1325, nxpk= 25, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 880, 881,
&end
#
# 0 AMB 25-2:1326 48 ILE HB 3.50 (# 1326:25 Single Ambig)
&rst
ixpk= 1326, nxpk= 25, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 746, 747, 759, 760, 761,
&end
#
# 48 ILE HG1+ 48 ILE HB 3.50 (# 1327:25 Unique 2.39, 2.71 A)
&rst
ixpk= 1327, nxpk= 25, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 746, 747,
&end
#
# 51 THR MG2 48 ILE HB 2.80 (# 1328:25 Unique 2.12, 3.32 A)
&rst
ixpk= 1328, nxpk= 25, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 785, 786, 787,
&end
#
# 48 ILE QG2 48 ILE HB 2.80 (# 1329:25 Unique 2.35, 2.64 A)
&rst
ixpk= 1329, nxpk= 25, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 742, 743, 744,
&end
#
# 48 ILE QD1 48 ILE HB 3.50 (# 1330:25 Unique 2.35, 3.29 A)
&rst
ixpk= 1330, nxpk= 25, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 749, 750, 751,
&end
#
# 49 ALA HN 48 ILE HG1- 5.50 (# 1331:25 Unique 1.91, 4.63 A)
&rst
ixpk= 1331, nxpk= 25, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 746, 747,
&end
#
# 49 ALA HN 48 ILE HG1+ 5.50 (# 1332:25 Unique 1.91, 4.63 A)
&rst
ixpk= 1332, nxpk= 25, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 746, 747,
&end
#
# 48 ILE HN 48 ILE HG1- 4.50 (# 1333:25 Unique 2.23, 3.85 A)
&rst
ixpk= 1333, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 746, 747,
&end
#
# 48 ILE HN 48 ILE HG1+ 4.50 (# 1334:25 Unique 2.23, 3.85 A)
&rst
ixpk= 1334, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 746, 747,
&end
#
# 88 VAL HA 89 ILE HG1+ 5.50 (# 1336:25 Unique 3.49, 4.51 A)
&rst
ixpk= 1336, nxpk= 25, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1396,1397,
&end
#
# 0 AMB 25-2:1337 0 AMB 25-1:1337 3.50 (# 1337:25 Double Ambig)
&rst
ixpk= 1337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 738, 997,
igr2= 746, 747, 936,
&end
#
# 0 AMB 25-2:1338 0 AMB 25-1:1338 4.50 (# 1338:25 Double Ambig)
&rst
ixpk= 1338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 738,1388,
igr2= 746, 747,1396,1397,
&end
#
# 57 GLY HA- 48 ILE HG1- 5.50 (# 1339:25 Unique 2.11, 5.16 A)
&rst
ixpk= 1339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 880, 881,
igr2= 746, 747,
&end
#
# 57 GLY HA- 48 ILE HG1+ 5.50 (# 1340:25 Unique 2.11, 5.16 A)
&rst
ixpk= 1340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 880, 881,
igr2= 746, 747,
&end
#
# 0 AMB 25-2:1341 0 AMB 25-1:1341 2.80 (# 1341:25 Double Ambig)
&rst
ixpk= 1341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 740, 933, 934,
igr2= 746, 747, 936,
&end
#
# 0 AMB 25-2:1342 0 AMB 25-1:1342 4.50 (# 1342:25 Double Ambig)
&rst
ixpk= 1342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 740, 285,
igr2= 746, 747,1396,1397,
&end
#
# 0 AMB 25-2:1343 0 AMB 25-1:1343 2.80 (# 1343:25 Double Ambig)
&rst
ixpk= 1343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 742, 743, 744, 985, 986, 987, 989, 990, 991, 985,
986, 987, 989, 990, 991,
igr2= 746, 747, 936,
&end
#
# 0 AMB 25-2:1344 0 AMB 25-1:1344 3.50 (# 1344:25 Double Ambig)
&rst
ixpk= 1344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 742, 743, 744, 303, 304, 305, 307, 308, 309, 588,
589, 590,1360,1361,1362,1364,1365,1366,
igr2= 746, 747,2188,1396,1397,1396,1397,
&end
#
# 0 AMB 25-2:1345 0 AMB 25-1:1345 2.80 (# 1345:25 Double Ambig)
&rst
ixpk= 1345, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 749, 750, 751, 938, 939, 940, 942, 943, 944, 891,
892, 893, 895, 896, 897,
igr2= 746, 747, 936,
&end
#
# 0 AMB 25-2:1346 0 AMB 25-1:1346 2.80 (# 1346:25 Double Ambig)
&rst
ixpk= 1346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 749, 750, 751,1392,1393,1394,1724,1725,1726,1728,
1729,1730, 891, 892, 893, 895, 896, 897,
igr2= 746, 747,1396,1397,2188, 746, 747,
&end
#
# 0 AMB 25-2:1347 48 ILE QG2 4.50 (# 1347:25 Single Ambig)
&rst
ixpk= 1347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 765, 755,
igr2= 742, 743, 744,
&end
#
# 48 ILE HN 48 ILE QG2 4.50 (# 1348:25 Unique 2.91, 4.45 A)
&rst
ixpk= 1348, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 742, 743, 744,
&end
#
# 51 THR HN 48 ILE QG2 5.50 (# 1349:25 Unique 2.62, 5.45 A)
&rst
ixpk= 1349, nxpk= 25, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 0 AMB 25-2:1352 48 ILE QG2 3.50 (# 1352:25 Single Ambig)
&rst
ixpk= 1352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2507, 738,
igr2= 742, 743, 744,
&end
#
# 49 ALA HA 48 ILE QG2 5.50 (# 1353:25 Unique 3.33, 5.57 A)
&rst
ixpk= 1353, nxpk= 25, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 48 ILE HB 48 ILE QG2 2.80 (# 1354:25 Unique 2.35, 2.64 A)
&rst
ixpk= 1354, nxpk= 25, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 742, 743, 744,
&end
#
# 0 AMB 25-2:1355 48 ILE QG2 2.80 (# 1355:25 Single Ambig)
&rst
ixpk= 1355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 746, 747, 759, 760, 761,
igr2= 742, 743, 744,
&end
#
# 48 ILE HG1+ 48 ILE QG2 2.80 (# 1356:25 Unique 2.27, 3.14 A)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 746, 747,
igr2= 742, 743, 744,
&end
#
# 0 AMB 25-2:1357 48 ILE QG2 3.50 (# 1357:25 Single Ambig)
&rst
ixpk= 1357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 749, 750, 751, 891, 892, 893, 895, 896, 897, 891,
892, 893, 895, 896, 897,
igr2= 742, 743, 744,
&end
#
# 0 AMB 25-2:1358 48 ILE QD1 5.50 (# 1358:25 Single Ambig)
&rst
ixpk= 1358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 755, 856,
igr2= 749, 750, 751,
&end
#
# 48 ILE HN 48 ILE QD1 5.50 (# 1359:25 Unique 1.91, 3.44 A)
&rst
ixpk= 1359, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 749, 750, 751,
&end
#
# 57 GLY HA+ 48 ILE QD1 5.50 (# 1361:25 Unique 2.20, 4.01 A)
&rst
ixpk= 1361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 880, 881,
igr2= 749, 750, 751,
&end
#
# 0 AMB 25-2:1362 48 ILE QD1 3.50 (# 1362:25 Single Ambig)
&rst
ixpk= 1362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 738,2507,
igr2= 749, 750, 751,
&end
#
# 57 GLY HA- 48 ILE QD1 5.50 (# 1364:25 Unique 2.20, 4.01 A)
&rst
ixpk= 1364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 880, 881,
igr2= 749, 750, 751,
&end
#
# 0 AMB 25-2:1365 48 ILE QD1 5.50 (# 1365:25 Single Ambig)
&rst
ixpk= 1365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 716, 717, 860, 861,
igr2= 749, 750, 751,
&end
#
# 0 AMB 25-2:1366 48 ILE QD1 5.50 (# 1366:25 Single Ambig)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 860, 861, 889,
igr2= 749, 750, 751,
&end
#
# 48 ILE HB 48 ILE QD1 3.50 (# 1367:25 Unique 2.35, 3.29 A)
&rst
ixpk= 1367, nxpk= 25, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 749, 750, 751,
&end
#
# 0 AMB 25-2:1369 48 ILE QD1 2.80 (# 1369:25 Single Ambig)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 746, 747,2509,2510,2511,
igr2= 749, 750, 751,
&end
#
# 48 ILE HG1+ 48 ILE QD1 2.80 (# 1370:25 Unique 2.31, 2.65 A)
&rst
ixpk= 1370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 746, 747,
igr2= 749, 750, 751,
&end
#
# 51 THR MG2 48 ILE QD1 3.50 (# 1371:25 Unique 2.35, 4.76 A)
&rst
ixpk= 1371, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 785, 786, 787,
igr2= 749, 750, 751,
&end
#
# 48 ILE QG2 48 ILE QD1 3.50 (# 1372:25 Unique 2.30, 4.64 A)
&rst
ixpk= 1372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 742, 743, 744,
igr2= 749, 750, 751,
&end
#
# 58 VAL HN 48 ILE QD1 5.50 (# 1375:25 Unique 2.78, 4.55 A)
&rst
ixpk= 1375, nxpk= 25, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 749, 750, 751,
&end
#
# 0 AMB 25-2:1376 49 ALA HA 3.50 (# 1376:25 Single Ambig)
&rst
ixpk= 1376, nxpk= 25, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 755, 765,
&end
#
# 48 ILE HN 49 ALA HA 5.50 (# 1377:25 Unique 4.28, 5.02 A)
&rst
ixpk= 1377, nxpk= 25, iat= 736, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 THR HN 49 ALA HA 5.50 (# 1378:25 Unique 3.16, 4.24 A)
&rst
ixpk= 1378, nxpk= 25, iat= 779, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ARG HB- 49 ALA HA 5.50 (# 1382:25 Unique 2.56, 5.47 A)
&rst
ixpk= 1382, nxpk= 25, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 716, 717,
&end
#
# 49 ALA MB 49 ALA HA 2.80 (# 1383:25 Unique 2.42, 2.68 A)
&rst
ixpk= 1383, nxpk= 25, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 759, 760, 761,
&end
#
# 48 ILE QG2 49 ALA HA 5.50 (# 1385:25 Unique 3.33, 5.57 A)
&rst
ixpk= 1385, nxpk= 25, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 742, 743, 744,
&end
#
# 0 AMB 25-2:1387 49 ALA MB 2.80 (# 1387:25 Single Ambig)
&rst
ixpk= 1387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 765, 755,
igr2= 759, 760, 761,
&end
#
# 50 ASN HD2+ 49 ALA MB 5.50 (# 1389:25 Unique 2.81, 4.98 A)
&rst
ixpk= 1389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 774, 775,
igr2= 759, 760, 761,
&end
#
# 50 ASN HD2- 49 ALA MB 5.50 (# 1390:25 Unique 2.81, 4.98 A)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 774, 775,
igr2= 759, 760, 761,
&end
#
# 50 ASN HB+ 49 ALA MB 5.50 (# 1393:25 Unique 3.47, 5.48 A)
&rst
ixpk= 1393, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 769, 770,
igr2= 759, 760, 761,
&end
#
# 0 AMB 25-2:1394 49 ALA MB 5.50 (# 1394:25 Single Ambig)
&rst
ixpk= 1394, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 769, 770, 722, 723,
igr2= 759, 760, 761,
&end
#
# 51 THR MG2 49 ALA MB 5.50 (# 1396:25 Unique 2.65, 6.93 A)
&rst
ixpk= 1396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 785, 786, 787,
igr2= 759, 760, 761,
&end
#
# 48 ILE QG2 49 ALA MB 4.50 (# 1397:25 Unique 2.77, 5.51 A)
&rst
ixpk= 1397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 742, 743, 744,
igr2= 759, 760, 761,
&end
#
# 50 ASN HN 50 ASN HA 3.50 (# 1398:25 Unique 2.19, 2.76 A)
&rst
ixpk= 1398, nxpk= 25, iat= 765, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 THR HN 50 ASN HA 3.50 (# 1400:25 Unique 2.58, 3.08 A)
&rst
ixpk= 1400, nxpk= 25, iat= 779, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASN HB+ 50 ASN HA 2.80 (# 1402:25 Unique 2.20, 2.65 A)
&rst
ixpk= 1402, nxpk= 25, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 769, 770,
&end
#
# 50 ASN HB- 50 ASN HA 2.80 (# 1403:25 Unique 2.20, 2.65 A)
&rst
ixpk= 1403, nxpk= 25, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 769, 770,
&end
#
# 48 ILE QG2 50 ASN HA 5.50 (# 1405:25 Unique 4.64, 7.38 A)
&rst
ixpk= 1405, nxpk= 25, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 742, 743, 744,
&end
#
# 50 ASN HN 50 ASN HB+ 5.50 (# 1406:25 Unique 2.37, 3.35 A)
&rst
ixpk= 1406, nxpk= 25, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 769, 770,
&end
#
# 50 ASN HN 50 ASN HB- 5.50 (# 1407:25 Unique 2.37, 3.35 A)
&rst
ixpk= 1407, nxpk= 25, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 769, 770,
&end
#
# 50 ASN HD2+ 50 ASN HB+ 4.50 (# 1408:25 Unique 2.25, 3.37 A)
&rst
ixpk= 1408, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 774, 775,
igr2= 769, 770,
&end
#
# 50 ASN HD2+ 50 ASN HB- 4.50 (# 1409:25 Unique 2.25, 3.37 A)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 774, 775,
igr2= 769, 770,
&end
#
# 50 ASN HD2- 50 ASN HB+ 5.50 (# 1410:25 Unique 2.25, 3.37 A)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 774, 775,
igr2= 769, 770,
&end
#
# 50 ASN HD2- 50 ASN HB- 4.50 (# 1411:25 Unique 2.25, 3.37 A)
&rst
ixpk= 1411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 774, 775,
igr2= 769, 770,
&end
#
# 50 ASN HA 50 ASN HB+ 3.50 (# 1414:25 Unique 2.20, 2.65 A)
&rst
ixpk= 1414, nxpk= 25, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 769, 770,
&end
#
# 50 ASN HA 50 ASN HB- 3.50 (# 1415:25 Unique 2.20, 2.65 A)
&rst
ixpk= 1415, nxpk= 25, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 769, 770,
&end
#
# 49 ALA MB 50 ASN HB+ 5.50 (# 1416:25 Unique 3.47, 5.48 A)
&rst
ixpk= 1416, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2= 769, 770,
&end
#
# 49 ALA MB 50 ASN HB- 5.50 (# 1417:25 Unique 3.47, 5.48 A)
&rst
ixpk= 1417, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 759, 760, 761,
igr2= 769, 770,
&end
#
# 103 ASP HN 102 VAL HA 5.50 (# 1418:25 Unique 2.40, 2.55 A)
&rst
ixpk= 1418, nxpk= 25, iat=1611,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1419 0 AMB 25-1:1419 5.50 (# 1419:25 Double Ambig)
&rst
ixpk= 1419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1335,1336, 779,1218,1219,
igr2=1597, 781,
&end
#
# 52 PRO HD+ 51 THR HA 3.50 (# 1420:25 Unique 2.15, 2.43 A)
&rst
ixpk= 1420, nxpk= 25, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 794, 795,
&end
#
# 52 PRO HD- 51 THR HA 4.50 (# 1421:25 Unique 2.15, 2.43 A)
&rst
ixpk= 1421, nxpk= 25, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 794, 795,
&end
#
# 102 VAL HB 102 VAL HA 4.50 (# 1422:25 Unique 2.41, 2.56 A)
&rst
ixpk= 1422, nxpk= 25, iat=1599,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1423 51 THR HA 5.50 (# 1423:25 Single Ambig)
&rst
ixpk= 1423, nxpk= 25, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 797, 798, 716, 717,
&end
#
# 0 AMB 25-2:1424 0 AMB 25-1:1424 5.50 (# 1424:25 Double Ambig)
&rst
ixpk= 1424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 841, 351, 352,1255,
igr2= 781,1597,
&end
#
# 52 PRO HG- 51 THR HA 5.50 (# 1425:25 Unique 4.37, 4.59 A)
&rst
ixpk= 1425, nxpk= 25, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 797, 798,
&end
#
# 51 THR MG2 51 THR HA 4.50 (# 1426:25 Unique 2.31, 2.93 A)
&rst
ixpk= 1426, nxpk= 25, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 785, 786, 787,
&end
#
# 0 AMB 25-2:1427 0 AMB 25-1:1427 3.50 (# 1427:25 Double Ambig)
&rst
ixpk= 1427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 356, 357, 358, 360, 361, 362,2557,2558,2559,2561,
2562,2563,1585,1586,1587,1589,1590,1591,
igr2=1597, 781,
&end
#
# 0 AMB 25-2:1428 0 AMB 25-1:1428 4.50 (# 1428:25 Double Ambig)
&rst
ixpk= 1428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 356, 357, 358, 360, 361, 362,1601,1602,1603,1605,
1606,1607, 850, 851, 852,
igr2=1597, 781,
&end
#
# 102 VAL MGY 102 VAL HA 4.50 (# 1429:25 Unique 2.32, 3.52 A)
&rst
ixpk= 1429, nxpk= 25, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 51 THR HB 51 THR HA 2.80 (# 1430:25 Unique 2.54, 2.66 A)
&rst
ixpk= 1430, nxpk= 25, iat= 783, 781, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:1431 51 THR HB 5.50 (# 1431:25 Single Ambig)
&rst
ixpk= 1431, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 779,
&end
#
# 52 PRO HD+ 51 THR HB 5.50 (# 1432:25 Unique 2.12, 3.26 A)
&rst
ixpk= 1432, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 52 PRO HD- 51 THR HB 4.50 (# 1433:25 Unique 2.12, 3.26 A)
&rst
ixpk= 1433, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 794, 795,
&end
#
# 0 AMB 25-2:1434 51 THR HB 5.50 (# 1434:25 Single Ambig)
&rst
ixpk= 1434, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 797, 798, 716, 717,
&end
#
# 55 ILE HB 51 THR HB 5.50 (# 1435:25 Unique 2.12, 2.32 A)
&rst
ixpk= 1435, nxpk= 25, iat= 841, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 THR MG2 51 THR HB 3.50 (# 1436:25 Unique 2.36, 2.65 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 785, 786, 787,
&end
#
# 0 AMB 25-2:1437 51 THR HB 4.50 (# 1437:25 Single Ambig)
&rst
ixpk= 1437, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 742, 743, 744,2453,2454,2455,2457,2458,2459,2453,
2454,2455,2457,2458,2459,1147,1148,1149,
&end
#
# 0 AMB 25-2:1438 51 THR HB 4.50 (# 1438:25 Single Ambig)
&rst
ixpk= 1438, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 850, 851, 852, 749, 750, 751,
&end
#
# 52 PRO HG- 51 THR HB 5.50 (# 1439:25 Unique 3.53, 4.56 A)
&rst
ixpk= 1439, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 797, 798,
&end
#
# 51 THR HN 51 THR MG2 4.50 (# 1440:25 Unique 2.24, 3.44 A)
&rst
ixpk= 1440, nxpk= 25, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 785, 786, 787,
&end
#
# 0 AMB 25-2:1442 51 THR MG2 2.80 (# 1442:25 Single Ambig)
&rst
ixpk= 1442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 781, 880, 881,
igr2= 785, 786, 787,
&end
#
# 0 AMB 25-2:1443 51 THR MG2 4.50 (# 1443:25 Single Ambig)
&rst
ixpk= 1443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 738, 714,
igr2= 785, 786, 787,
&end
#
# 0 AMB 25-2:1444 51 THR MG2 2.80 (# 1444:25 Single Ambig)
&rst
ixpk= 1444, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 783, 858,2553,
igr2= 785, 786, 787,
&end
#
# 52 PRO HD+ 51 THR MG2 4.50 (# 1445:25 Unique 2.29, 4.26 A)
&rst
ixpk= 1445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 794, 795,
igr2= 785, 786, 787,
&end
#
# 52 PRO HD- 51 THR MG2 4.50 (# 1446:25 Unique 2.29, 4.26 A)
&rst
ixpk= 1446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 794, 795,
igr2= 785, 786, 787,
&end
#
# 0 AMB 25-2:1447 0 AMB 25-1:1447 2.80 (# 1447:25 Double Ambig)
&rst
ixpk= 1447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 740, 716, 717, 285,
igr2= 785, 786, 787,1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:1448 105 VAL MGY 3.50 (# 1448:25 Single Ambig)
&rst
ixpk= 1448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 592, 593, 592, 593,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:1449 0 AMB 25-1:1449 4.50 (# 1449:25 Double Ambig)
&rst
ixpk= 1449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
igr1= 850, 851, 852,1601,1602,1603,1605,1606,1607,
igr2= 785, 786, 787,1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:1451 0 AMB 25-1:1451 4.50 (# 1451:25 Double Ambig)
&rst
ixpk= 1451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 755,1630,
igr2= 785, 786, 787,1636,1637,1638,1640,1641,1642,
&end
#
# 93 LEU HN 95 GLN HA 5.50 (# 1453:25 Unique 4.59, 5.17 A)
&rst
ixpk= 1453, nxpk= 25, iat=1454,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1455 0 AMB 25-1:1455 4.50 (# 1455:25 Double Ambig)
&rst
ixpk= 1455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2536, 807,
igr2=2538, 803,
&end
#
# 166 VAL HN 165 GLU HA 4.50 (# 1456:25 Unique 2.43, 2.82 A)
&rst
ixpk= 1456, nxpk= 25, iat=2551,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1457 0 AMB 25-1:1457 4.50 (# 1457:25 Double Ambig)
&rst
ixpk= 1457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2371,2372,1497,
igr2=2304,1482,
&end
#
# 0 AMB 25-2:1461 95 GLN HA 3.50 (# 1461:25 Single Ambig)
&rst
ixpk= 1461, nxpk= 25, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1487,1488,1487,1488,
&end
#
# 0 AMB 25-2:1462 0 AMB 25-1:1462 2.80 (# 1462:25 Double Ambig)
&rst
ixpk= 1462, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2543,2544,2543,2544,1484,1485,
igr2=2538,1482,
&end
#
# 0 AMB 25-2:1463 0 AMB 25-1:1463 2.80 (# 1463:25 Double Ambig)
&rst
ixpk= 1463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 800, 801,2540,2541,
igr2= 803,2538,
&end
#
# 0 AMB 25-2:1464 0 AMB 25-1:1464 2.80 (# 1464:25 Double Ambig)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2309,2310, 800, 801,1484,1485,2306,2307,2540,2541,
igr2=2304, 803,1482,2538,
&end
#
# 0 AMB 25-2:1466 0 AMB 25-1:1466 5.50 (# 1466:25 Double Ambig)
&rst
ixpk= 1466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1504,1505,1504,1505,2278,2279,1504,1505,
igr2=1482,2304,
&end
#
# 149 LYS HG- 149 LYS HA 4.50 (# 1467:25 Unique 2.27, 3.05 A)
&rst
ixpk= 1467, nxpk= 25, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2309,2310,
&end
#
# 166 VAL MGY 165 GLU HA 5.50 (# 1468:25 Unique 3.12, 6.04 A)
&rst
ixpk= 1468, nxpk= 25, iat= -1,2538, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2557,2558,2559,2561,2562,2563,
&end
#
# 55 ILE QD1 52 PRO HA 5.50 (# 1469:25 Unique 5.68, 6.80 A)
&rst
ixpk= 1469, nxpk= 25, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 53 ALA HN 52 PRO HB+ 4.50 (# 1470:25 Unique 2.39, 3.26 A)
&rst
ixpk= 1470, nxpk= 25, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 800, 801,
&end
#
# 0 AMB 25-2:1471 0 AMB 25-1:1471 4.50 (# 1471:25 Double Ambig)
&rst
ixpk= 1471, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 807,2536,
igr2= 800, 801,2540,2541,
&end
#
# 166 VAL HN 165 GLU HB- 5.50 (# 1473:25 Unique 3.47, 4.27 A)
&rst
ixpk= 1473, nxpk= 25, iat=2551, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2540,2541,
&end
#
# 52 PRO HA 52 PRO HB+ 3.50 (# 1474:25 Unique 2.29, 2.53 A)
&rst
ixpk= 1474, nxpk= 25, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 800, 801,
&end
#
# 0 AMB 25-2:1475 0 AMB 25-1:1475 3.50 (# 1475:25 Double Ambig)
&rst
ixpk= 1475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 803,2538,
igr2= 800, 801,2540,2541,
&end
#
# 0 AMB 25-2:1477 165 GLU HB- 2.80 (# 1477:25 Single Ambig)
&rst
ixpk= 1477, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2543,2544,2543,2544,
igr2=2540,2541,
&end
#
# 0 AMB 25-2:1478 0 AMB 25-1:1478 5.50 (# 1478:25 Double Ambig)
&rst
ixpk= 1478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1140,1141,1142,1147,1148,1149,
igr2= 800, 801, 800, 801,
&end
#
# 166 VAL MGY 165 GLU HB- 5.50 (# 1479:25 Unique 3.36, 6.29 A)
&rst
ixpk= 1479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2557,2558,2559,2561,2562,2563,
igr2=2540,2541,
&end
#
# 123 ALA HN 0 AMB 25-1:1511 3.50 (# 1511:25 Single Ambig)
&rst
ixpk= 1511, nxpk= 25, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1890,1891,1890,1891,
&end
#
# 122 PHE HN 0 AMB 25-1:1512 2.80 (# 1512:25 Single Ambig)
&rst
ixpk= 1512, nxpk= 25, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1890,1891,1890,1891,
&end
#
# 122 PHE HA 0 AMB 25-1:1514 2.80 (# 1514:25 Single Ambig)
&rst
ixpk= 1514, nxpk= 25, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1890,1891,1890,1891,
&end
#
# 0 AMB 25-2:1517 0 AMB 25-1:1517 5.50 (# 1517:25 Double Ambig)
&rst
ixpk= 1517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=1950,1951,1950,1951,1950,1951,1864,1865,
igr2=1890,1891,1890,1891,1890,1891,1890,1891,
&end
#
# 56 LYS HN 56 LYS HA 4.50 (# 1518:25 Unique 2.76, 2.92 A)
&rst
ixpk= 1518, nxpk= 25, iat= 856, 858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLY HN 56 LYS HA 5.50 (# 1519:25 Unique 3.52, 3.61 A)
&rst
ixpk= 1519, nxpk= 25, iat= 878, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1520 56 LYS HA 5.50 (# 1520:25 Single Ambig)
&rst
ixpk= 1520, nxpk= 25, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 869, 870, 722, 723,
&end
#
# 56 LYS HB+ 56 LYS HA 4.50 (# 1521:25 Unique 2.41, 2.80 A)
&rst
ixpk= 1521, nxpk= 25, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 860, 861,
&end
#
# 47 ARG HB- 56 LYS HA 5.50 (# 1522:25 Unique 4.00, 6.56 A)
&rst
ixpk= 1522, nxpk= 25, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 716, 717,
&end
#
# 0 AMB 25-2:1524 56 LYS HA 5.50 (# 1524:25 Single Ambig)
&rst
ixpk= 1524, nxpk= 25, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1147,1148,1149,1069,1070,1071,1073,1074,1075,1140,
1141,1142,
&end
#
# 0 AMB 25-2:1525 56 LYS HA 5.50 (# 1525:25 Single Ambig)
&rst
ixpk= 1525, nxpk= 25, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1050,1051,1052, 850, 851, 852,
&end
#
# 0 AMB 25-2:1526 0 AMB 25-1:1526 3.50 (# 1526:25 Double Ambig)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 856,1871,
igr2= 860, 861,1875,1876,
&end
#
# 0 AMB 25-2:1527 0 AMB 25-1:1527 3.50 (# 1527:25 Double Ambig)
&rst
ixpk= 1527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 856,1871,
igr2= 860, 861,1875,1876,
&end
#
# 122 PHE HN 121 GLU HB+ 5.50 (# 1528:25 Unique 3.31, 4.22 A)
&rst
ixpk= 1528, nxpk= 25, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1875,1876,
&end
#
# 122 PHE HN 121 GLU HB- 4.50 (# 1529:25 Unique 3.31, 4.22 A)
&rst
ixpk= 1529, nxpk= 25, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1875,1876,
&end
#
# 0 AMB 25-2:1530 0 AMB 25-1:1530 2.80 (# 1530:25 Double Ambig)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1873, 858,
igr2=1875,1876, 860, 861,
&end
#
# 0 AMB 25-2:1531 0 AMB 25-1:1531 2.80 (# 1531:25 Double Ambig)
&rst
ixpk= 1531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1873, 858,
igr2=1875,1876, 860, 861,
&end
#
# 56 LYS HE+ 56 LYS HB+ 5.50 (# 1532:25 Unique 2.13, 4.45 A)
&rst
ixpk= 1532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 869, 870,
igr2= 860, 861,
&end
#
# 0 AMB 25-2:1533 57 GLY HA- 4.50 (# 1533:25 Single Ambig)
&rst
ixpk= 1533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 885, 712,
igr2= 880, 881,
&end
#
# 48 ILE HN 57 GLY HA- 5.50 (# 1534:25 Unique 2.55, 3.92 A)
&rst
ixpk= 1534, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 880, 881,
&end
#
# 57 GLY HN 57 GLY HA- 4.50 (# 1535:25 Unique 2.44, 2.82 A)
&rst
ixpk= 1535, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 880, 881,
&end
#
# 47 ARG HA 57 GLY HA- 4.50 (# 1537:25 Unique 2.10, 3.15 A)
&rst
ixpk= 1537, nxpk= 25, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 880, 881,
&end
#
# 0 AMB 25-2:1538 57 GLY HA- 5.50 (# 1538:25 Single Ambig)
&rst
ixpk= 1538, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 740, 716, 717,
igr2= 880, 881,
&end
#
# 48 ILE HG1+ 57 GLY HA- 5.50 (# 1539:25 Unique 2.11, 5.16 A)
&rst
ixpk= 1539, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 746, 747,
igr2= 880, 881,
&end
#
# 0 AMB 25-2:1540 57 GLY HA- 4.50 (# 1540:25 Single Ambig)
&rst
ixpk= 1540, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 749, 750, 751, 891, 892, 893, 895, 896, 897,
igr2= 880, 881,
&end
#
# 45 VAL MGY 57 GLY HA- 5.50 (# 1541:25 Unique 2.29, 5.97 A)
&rst
ixpk= 1541, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 688, 689, 690, 692, 693, 694,
igr2= 880, 881,
&end
#
# 59 THR HN 58 VAL HA 3.50 (# 1542:25 Unique 2.32, 2.43 A)
&rst
ixpk= 1542, nxpk= 25, iat= 901, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 PRO HA 58 VAL HA 4.50 (# 1543:25 Unique 1.98, 2.10 A)
&rst
ixpk= 1543, nxpk= 25, iat=1040, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 VAL HB 58 VAL HA 4.50 (# 1544:25 Unique 2.36, 2.45 A)
&rst
ixpk= 1544, nxpk= 25, iat= 889, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1545 58 VAL HA 2.80 (# 1545:25 Single Ambig)
&rst
ixpk= 1545, nxpk= 25, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,
&end
#
# 66 VAL HN 58 VAL HB 5.50 (# 1546:25 Unique 3.25, 3.62 A)
&rst
ixpk= 1546, nxpk= 25, iat=1014, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 THR HN 58 VAL HB 3.50 (# 1547:25 Unique 2.25, 2.62 A)
&rst
ixpk= 1547, nxpk= 25, iat= 901, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 VAL HA 58 VAL HB 3.50 (# 1548:25 Unique 2.36, 2.45 A)
&rst
ixpk= 1548, nxpk= 25, iat= 887, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 PRO HA 58 VAL HB 5.50 (# 1549:25 Unique 2.93, 3.46 A)
&rst
ixpk= 1549, nxpk= 25, iat=1040, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1551 58 VAL HB 2.80 (# 1551:25 Single Ambig)
&rst
ixpk= 1551, nxpk= 25, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,1008,1009,1010,
&end
#
# 46 THR HN 58 VAL MGX 4.50 (# 1552:25 Unique 3.27, 5.34 A)
&rst
ixpk= 1552, nxpk= 25, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1553 58 VAL MGX 4.50 (# 1553:25 Single Ambig)
&rst
ixpk= 1553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 885, 712,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 58 VAL HA 58 VAL MGX 4.50 (# 1554:25 Unique 2.38, 3.55 A)
&rst
ixpk= 1554, nxpk= 25, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 67 PRO HA 58 VAL MGX 5.50 (# 1555:25 Unique 2.16, 4.31 A)
&rst
ixpk= 1555, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 59 THR HA 58 VAL MGX 4.50 (# 1556:25 Unique 3.56, 5.74 A)
&rst
ixpk= 1556, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1557 58 VAL MGX 5.50 (# 1557:25 Single Ambig)
&rst
ixpk= 1557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 714, 700, 997,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1558 58 VAL MGX 5.50 (# 1558:25 Single Ambig)
&rst
ixpk= 1558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2507, 684,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 46 THR HB 58 VAL MGX 4.50 (# 1559:25 Unique 2.15, 4.65 A)
&rst
ixpk= 1559, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 58 VAL HB 58 VAL MGX 2.80 (# 1560:25 Unique 2.37, 2.65 A)
&rst
ixpk= 1560, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 66 VAL HN 58 VAL MGY 5.50 (# 1561:25 Unique 4.16, 5.76 A)
&rst
ixpk= 1561, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1562 58 VAL MGY 2.80 (# 1562:25 Single Ambig)
&rst
ixpk= 1562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 885, 712,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 58 VAL HA 58 VAL MGY 3.50 (# 1563:25 Unique 2.38, 3.55 A)
&rst
ixpk= 1563, nxpk= 25, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 67 PRO HA 58 VAL MGY 2.80 (# 1564:25 Unique 2.16, 4.31 A)
&rst
ixpk= 1564, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 59 THR HA 58 VAL MGY 5.50 (# 1565:25 Unique 3.56, 5.74 A)
&rst
ixpk= 1565, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 66 VAL HA 58 VAL MGY 5.50 (# 1566:25 Unique 4.43, 6.93 A)
&rst
ixpk= 1566, nxpk= 25, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 162 ALA HA 58 VAL MGY 5.50 (# 1567:25 Unique 3.77, 8.24 A)
&rst
ixpk= 1567, nxpk= 25, iat=2507, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 67 PRO HD- 58 VAL MGY 5.50 (# 1568:25 Unique 3.48, 6.96 A)
&rst
ixpk= 1568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1031,1032,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 58 VAL HB 58 VAL MGY 2.80 (# 1569:25 Unique 2.37, 2.65 A)
&rst
ixpk= 1569, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1570 58 VAL MGY 3.50 (# 1570:25 Single Ambig)
&rst
ixpk= 1570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2509,2510,2511, 746, 747, 719, 720,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 0 AMB 25-2:1572 58 VAL MGY 4.50 (# 1572:25 Single Ambig)
&rst
ixpk= 1572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 704, 705, 706,1054,1055,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 45 VAL MGY 58 VAL MGY 4.50 (# 1573:25 Unique 5.17, 8.40 A)
&rst
ixpk= 1573, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 688, 689, 690, 692, 693, 694,
igr2= 891, 892, 893, 895, 896, 897,
&end
#
# 59 THR HN 59 THR HB 5.50 (# 1574:25 Unique 2.98, 3.14 A)
&rst
ixpk= 1574, nxpk= 25, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1575 59 THR HB 5.50 (# 1575:25 Single Ambig)
&rst
ixpk= 1575, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 665,
&end
#
# 59 THR HA 59 THR HB 3.50 (# 1577:25 Unique 2.46, 2.55 A)
&rst
ixpk= 1577, nxpk= 25, iat= 903, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 VAL HA 59 THR HB 5.50 (# 1578:25 Unique 2.24, 2.67 A)
&rst
ixpk= 1578, nxpk= 25, iat= 684, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1579 59 THR HB 5.50 (# 1579:25 Single Ambig)
&rst
ixpk= 1579, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1054,1055,1054,1055,
&end
#
# 59 THR MG2 59 THR HB 3.50 (# 1580:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1580, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 907, 908, 909,
&end
#
# 88 VAL MGY 59 THR HB 5.50 (# 1581:25 Unique 3.32, 5.73 A)
&rst
ixpk= 1581, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:1582 59 THR HB 5.50 (# 1582:25 Single Ambig)
&rst
ixpk= 1582, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
&end
#
# 45 VAL MGY 59 THR HB 5.50 (# 1583:25 Unique 2.08, 4.18 A)
&rst
ixpk= 1583, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 45 VAL MGX 59 THR HB 5.50 (# 1584:25 Unique 2.08, 4.18 A)
&rst
ixpk= 1584, nxpk= 25, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 61 LEU HN 59 THR MG2 5.50 (# 1585:25 Unique 3.13, 4.92 A)
&rst
ixpk= 1585, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
&end
#
# 66 VAL HN 59 THR MG2 5.50 (# 1586:25 Unique 2.87, 4.25 A)
&rst
ixpk= 1586, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
&end
#
# 59 THR HN 59 THR MG2 3.50 (# 1587:25 Unique 2.46, 3.48 A)
&rst
ixpk= 1587, nxpk= 25, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 907, 908, 909,
&end
#
# 0 AMB 25-2:1588 59 THR MG2 4.50 (# 1588:25 Single Ambig)
&rst
ixpk= 1588, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 915, 665,
igr2= 907, 908, 909,
&end
#
# 58 VAL HA 59 THR MG2 5.50 (# 1589:25 Unique 3.97, 5.30 A)
&rst
ixpk= 1589, nxpk= 25, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
&end
#
# 60 ASN HA 59 THR MG2 5.50 (# 1590:25 Unique 4.33, 5.36 A)
&rst
ixpk= 1590, nxpk= 25, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
&end
#
# 59 THR HA 59 THR MG2 3.50 (# 1592:25 Unique 3.67, 3.95 A)
&rst
ixpk= 1592, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 907, 908, 909,
&end
#
# 61 LEU HA 59 THR MG2 5.50 (# 1593:25 Unique 3.14, 4.91 A)
&rst
ixpk= 1593, nxpk= 25, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
&end
#
# 0 AMB 25-2:1594 59 THR MG2 5.50 (# 1594:25 Single Ambig)
&rst
ixpk= 1594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 634, 684,1407,
igr2= 907, 908, 909,
&end
#
# 59 THR HB 59 THR MG2 3.50 (# 1595:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1595, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 907, 908, 909,
&end
#
# 66 VAL HB 59 THR MG2 4.50 (# 1596:25 Unique 2.45, 4.65 A)
&rst
ixpk= 1596, nxpk= 25, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 907, 908, 909,
&end
#
# 61 LEU HB+ 59 THR MG2 4.50 (# 1597:25 Unique 2.38, 4.89 A)
&rst
ixpk= 1597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 933, 934,
igr2= 907, 908, 909,
&end
#
# 0 AMB 25-2:1598 59 THR MG2 3.50 (# 1598:25 Single Ambig)
&rst
ixpk= 1598, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026, 938, 939, 940, 942, 943, 944,
igr2= 907, 908, 909,
&end
#
# 0 AMB 25-2:1599 59 THR MG2 3.50 (# 1599:25 Single Ambig)
&rst
ixpk= 1599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
igr2= 907, 908, 909,
&end
#
# 45 VAL MGX 59 THR MG2 5.50 (# 1600:25 Unique 2.81, 6.35 A)
&rst
ixpk= 1600, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 688, 689, 690, 692, 693, 694,
igr2= 907, 908, 909,
&end
#
# 61 LEU HN 60 ASN HA 2.80 (# 1601:25 Unique 2.13, 2.19 A)
&rst
ixpk= 1601, nxpk= 25, iat= 929, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ASN HN 92 ASN HA 4.50 (# 1602:25 Unique 2.95, 2.97 A)
&rst
ixpk= 1602, nxpk= 25, iat=1440,1442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1603 0 AMB 25-1:1603 4.50 (# 1603:25 Double Ambig)
&rst
ixpk= 1603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1537, 901,
igr2=1442, 917,
&end
#
# 93 LEU HN 92 ASN HA 2.80 (# 1604:25 Unique 2.15, 2.23 A)
&rst
ixpk= 1604, nxpk= 25, iat=1454,1442, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 ILE HA 60 ASN HA 4.50 (# 1605:25 Unique 2.42, 2.75 A)
&rst
ixpk= 1605, nxpk= 25, iat= 997, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1606 0 AMB 25-1:1606 4.50 (# 1606:25 Double Ambig)
&rst
ixpk= 1606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1444,1445, 919, 920,
igr2=1442, 917,
&end
#
# 92 ASN HB- 92 ASN HA 4.50 (# 1607:25 Unique 2.24, 2.52 A)
&rst
ixpk= 1607, nxpk= 25, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1444,1445,
&end
#
# 60 ASN HB- 60 ASN HA 3.50 (# 1608:25 Unique 2.31, 2.74 A)
&rst
ixpk= 1608, nxpk= 25, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 919, 920,
&end
#
# 0 AMB 25-2:1609 92 ASN HA 4.50 (# 1609:25 Single Ambig)
&rst
ixpk= 1609, nxpk= 25, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 554, 555,1428, 522, 523, 522, 523,
&end
#
# 0 AMB 25-2:1610 92 ASN HA 4.50 (# 1610:25 Single Ambig)
&rst
ixpk= 1610, nxpk= 25, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1527,1528,1529,1531,1532,1533,1543,1544,1545,1547,
1548,1549,
&end
#
# 97 VAL MGY 92 ASN HA 3.50 (# 1611:25 Unique 2.25, 4.46 A)
&rst
ixpk= 1611, nxpk= 25, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1527,1528,1529,1531,1532,1533,
&end
#
# 65 ILE QD1 60 ASN HA 4.50 (# 1612:25 Unique 2.03, 3.15 A)
&rst
ixpk= 1612, nxpk= 25, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1008,1009,1010,
&end
#
# 61 LEU HN 60 ASN HB+ 5.50 (# 1613:25 Unique 4.19, 4.48 A)
&rst
ixpk= 1613, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 919, 920,
&end
#
# 61 LEU HN 60 ASN HB- 5.50 (# 1614:25 Unique 4.19, 4.48 A)
&rst
ixpk= 1614, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 919, 920,
&end
#
# 60 ASN HN 60 ASN HB+ 4.50 (# 1615:25 Unique 2.14, 2.59 A)
&rst
ixpk= 1615, nxpk= 25, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 919, 920,
&end
#
# 60 ASN HN 60 ASN HB- 4.50 (# 1616:25 Unique 2.14, 2.59 A)
&rst
ixpk= 1616, nxpk= 25, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 919, 920,
&end
#
# 60 ASN HA 60 ASN HB+ 2.80 (# 1621:25 Unique 2.31, 2.74 A)
&rst
ixpk= 1621, nxpk= 25, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 919, 920,
&end
#
# 60 ASN HA 60 ASN HB- 4.50 (# 1622:25 Unique 2.31, 2.74 A)
&rst
ixpk= 1622, nxpk= 25, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 919, 920,
&end
#
# 65 ILE QD1 60 ASN HB+ 5.50 (# 1623:25 Unique 2.42, 4.63 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1008,1009,1010,
igr2= 919, 920,
&end
#
# 65 ILE QD1 60 ASN HB- 5.50 (# 1624:25 Unique 2.42, 4.63 A)
&rst
ixpk= 1624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1008,1009,1010,
igr2= 919, 920,
&end
#
# 62 ARG HN 61 LEU HA 4.50 (# 1625:25 Unique 2.16, 2.29 A)
&rst
ixpk= 1625, nxpk= 25, iat= 948, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLY HN 61 LEU HA 5.50 (# 1627:25 Unique 4.34, 4.49 A)
&rst
ixpk= 1627, nxpk= 25, iat= 972, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HB+ 61 LEU HA 4.50 (# 1629:25 Unique 2.16, 2.40 A)
&rst
ixpk= 1629, nxpk= 25, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 933, 934,
&end
#
# 61 LEU HG 61 LEU HA 5.50 (# 1630:25 Unique 3.72, 3.80 A)
&rst
ixpk= 1630, nxpk= 25, iat= 936, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HB- 61 LEU HA 4.50 (# 1631:25 Unique 2.16, 2.40 A)
&rst
ixpk= 1631, nxpk= 25, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 933, 934,
&end
#
# 0 AMB 25-2:1632 61 LEU HA 3.50 (# 1632:25 Single Ambig)
&rst
ixpk= 1632, nxpk= 25, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 938, 939, 940, 942, 943, 944,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
&end
#
# 61 LEU HN 61 LEU HB+ 4.50 (# 1633:25 Unique 2.21, 3.16 A)
&rst
ixpk= 1633, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 933, 934,
&end
#
# 61 LEU HN 61 LEU HB- 4.50 (# 1634:25 Unique 2.21, 3.16 A)
&rst
ixpk= 1634, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 933, 934,
&end
#
# 61 LEU HA 61 LEU HB+ 3.50 (# 1635:25 Unique 2.16, 2.40 A)
&rst
ixpk= 1635, nxpk= 25, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 933, 934,
&end
#
# 0 AMB 25-2:1636 0 AMB 25-1:1636 5.50 (# 1636:25 Double Ambig)
&rst
ixpk= 1636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1523,1442,
igr2=2347,2348,2347,2348,2347,2348,
&end
#
# 61 LEU HA 61 LEU HB- 4.50 (# 1637:25 Unique 2.16, 2.40 A)
&rst
ixpk= 1637, nxpk= 25, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 933, 934,
&end
#
# 61 LEU HG 61 LEU HB- 2.80 (# 1638:25 Unique 2.45, 2.84 A)
&rst
ixpk= 1638, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 933, 934,
&end
#
# 0 AMB 25-2:1639 61 LEU HB- 2.80 (# 1639:25 Single Ambig)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 938, 939, 940, 942, 943, 944,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
igr2= 933, 934,
&end
#
# 0 AMB 25-2:1640 0 AMB 25-1:1640 2.80 (# 1640:25 Double Ambig)
&rst
ixpk= 1640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=2352,2353,2354,2356,2357,2358, 938, 939, 940, 942,
943, 944,1020,1021,1022,1024,1025,1026,1020,1021,
1022,1024,1025,1026,
igr2=2347,2348,2347,2348, 933, 934, 933, 934, 933, 934,
&end
#
# 59 THR MG2 61 LEU HB+ 4.50 (# 1641:25 Unique 2.38, 4.89 A)
&rst
ixpk= 1641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 907, 908, 909,
igr2= 933, 934,
&end
#
# 59 THR MG2 61 LEU HB- 5.50 (# 1642:25 Unique 2.38, 4.89 A)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 907, 908, 909,
igr2= 933, 934,
&end
#
# 61 LEU HN 61 LEU HG 5.50 (# 1643:25 Unique 2.28, 2.82 A)
&rst
ixpk= 1643, nxpk= 25, iat= 929, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE HN 61 LEU HG 3.50 (# 1644:25 Unique 3.38, 3.52 A)
&rst
ixpk= 1644, nxpk= 25, iat= 995, 936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 LEU HA 61 LEU HG 4.50 (# 1645:25 Unique 3.72, 3.80 A)
&rst
ixpk= 1645, nxpk= 25, iat= 931, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1646 0 AMB 25-1:1646 5.50 (# 1646:25 Double Ambig)
&rst
ixpk= 1646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 981, 757, 858,
igr2= 936, 746, 747,
&end
#
# 0 AMB 25-2:1647 0 AMB 25-1:1647 4.50 (# 1647:25 Double Ambig)
&rst
ixpk= 1647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1018, 716, 717, 952, 953, 952, 953,
igr2= 936, 746, 747,
&end
#
# 61 LEU HN 61 LEU MDX 5.50 (# 1648:25 Unique 2.70, 4.72 A)
&rst
ixpk= 1648, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 938, 939, 940, 942, 943, 944,
&end
#
# 132 THR HN 131 LEU MDY 5.50 (# 1649:25 Unique 1.79, 4.69 A)
&rst
ixpk= 1649, nxpk= 25, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 131 LEU HN 131 LEU MDY 4.50 (# 1651:25 Unique 2.26, 5.01 A)
&rst
ixpk= 1651, nxpk= 25, iat=2026, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 127 SER HN 131 LEU MDY 5.50 (# 1653:25 Unique 2.91, 6.61 A)
&rst
ixpk= 1653, nxpk= 25, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 0 AMB 25-2:1654 0 AMB 25-1:1654 4.50 (# 1654:25 Double Ambig)
&rst
ixpk= 1654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2059, 924, 925,
igr2=2035,2036,2037,2039,2040,2041, 938, 939, 940, 942,
943, 944,
&end
#
# 37 GLN HE2- 61 LEU MDX 5.50 (# 1656:25 Unique 1.84, 5.84 A)
&rst
ixpk= 1656, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 562, 563,
igr2= 938, 939, 940, 942, 943, 944,
&end
#
# 131 LEU HA 131 LEU MDY 3.50 (# 1657:25 Unique 2.12, 4.05 A)
&rst
ixpk= 1657, nxpk= 25, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 0 AMB 25-2:1658 0 AMB 25-1:1658 3.50 (# 1658:25 Double Ambig)
&rst
ixpk= 1658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2007, 931,
igr2=2035,2036,2037,2039,2040,2041, 938, 939, 940, 942,
943, 944,
&end
#
# 128 THR HA 131 LEU MDY 5.50 (# 1659:25 Unique 2.21, 4.87 A)
&rst
ixpk= 1659, nxpk= 25, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 0 AMB 25-2:1660 0 AMB 25-1:1660 4.50 (# 1660:25 Double Ambig)
&rst
ixpk= 1660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 955, 956,2030,2031, 936,
igr2= 938, 939, 940, 942, 943, 944,2035,2036,2037,2039,
2040,2041,
&end
#
# 0 AMB 25-2:1661 131 LEU MDY 2.80 (# 1661:25 Single Ambig)
&rst
ixpk= 1661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1851,1852,1853,2051,2052,2053,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 126 LEU MDX 131 LEU MDY 4.50 (# 1662:25 Unique 2.30, 6.04 A)
&rst
ixpk= 1662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1955,1956,1957,1959,1960,1961,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 62 ARG HN 62 ARG HA 4.50 (# 1665:25 Unique 2.24, 2.38 A)
&rst
ixpk= 1665, nxpk= 25, iat= 948, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLY HN 62 ARG HA 4.50 (# 1666:25 Unique 2.51, 2.94 A)
&rst
ixpk= 1666, nxpk= 25, iat= 972, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ARG HD- 62 ARG HA 5.50 (# 1668:25 Unique 2.35, 3.96 A)
&rst
ixpk= 1668, nxpk= 25, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 958, 959,
&end
#
# 0 AMB 25-2:1669 62 ARG HA 2.80 (# 1669:25 Single Ambig)
&rst
ixpk= 1669, nxpk= 25, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 952, 953, 952, 953,
&end
#
# 62 ARG HG+ 62 ARG HA 3.50 (# 1671:25 Unique 2.66, 3.59 A)
&rst
ixpk= 1671, nxpk= 25, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 955, 956,
&end
#
# 62 ARG HG- 62 ARG HA 3.50 (# 1672:25 Unique 2.66, 3.59 A)
&rst
ixpk= 1672, nxpk= 25, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 955, 956,
&end
#
# 63 GLY HN 63 GLY HA+ 3.50 (# 1673:25 Unique 2.38, 2.76 A)
&rst
ixpk= 1673, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 974, 975,
&end
#
# 63 GLY HN 63 GLY HA- 3.50 (# 1674:25 Unique 2.38, 2.76 A)
&rst
ixpk= 1674, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 974, 975,
&end
#
# 64 VAL HN 63 GLY HA+ 4.50 (# 1675:25 Unique 3.02, 3.34 A)
&rst
ixpk= 1675, nxpk= 25, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 974, 975,
&end
#
# 64 VAL HN 63 GLY HA- 4.50 (# 1676:25 Unique 3.02, 3.34 A)
&rst
ixpk= 1676, nxpk= 25, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 974, 975,
&end
#
# 0 AMB 25-2:1681 0 AMB 25-1:1681 4.50 (# 1681:25 Double Ambig)
&rst
ixpk= 1681, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
igr2= 974, 975, 974, 975,
&end
#
# 0 AMB 25-2:1682 63 GLY HA- 5.50 (# 1682:25 Single Ambig)
&rst
ixpk= 1682, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
igr2= 974, 975,
&end
#
# 65 ILE HN 64 VAL HA 2.80 (# 1683:25 Unique 2.78, 2.93 A)
&rst
ixpk= 1683, nxpk= 25, iat= 995, 981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 VAL HN 64 VAL HA 4.50 (# 1685:25 Unique 2.86, 2.95 A)
&rst
ixpk= 1685, nxpk= 25, iat= 979, 981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 64 VAL HA 5.50 (# 1686:25 Unique 5.17, 5.31 A)
&rst
ixpk= 1686, nxpk= 25, iat= 917, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HB 64 VAL HA 3.50 (# 1690:25 Unique 2.98, 3.00 A)
&rst
ixpk= 1690, nxpk= 25, iat= 983, 981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 LEU HG 64 VAL HA 4.50 (# 1691:25 Unique 3.99, 4.34 A)
&rst
ixpk= 1691, nxpk= 25, iat= 936, 981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1692 64 VAL HA 5.50 (# 1692:25 Single Ambig)
&rst
ixpk= 1692, nxpk= 25, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1005,1006,1005,1006,
&end
#
# 0 AMB 25-2:1693 64 VAL HA 2.80 (# 1693:25 Single Ambig)
&rst
ixpk= 1693, nxpk= 25, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 0 AMB 25-2:1694 64 VAL HA 4.50 (# 1694:25 Single Ambig)
&rst
ixpk= 1694, nxpk= 25, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 938, 939, 940, 942, 943, 944,1001,1002,1003,
&end
#
# 61 LEU HN 64 VAL HB 5.50 (# 1695:25 Unique 4.21, 4.44 A)
&rst
ixpk= 1695, nxpk= 25, iat= 929, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE HN 64 VAL HB 5.50 (# 1696:25 Unique 2.12, 2.49 A)
&rst
ixpk= 1696, nxpk= 25, iat= 995, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 VAL HN 64 VAL HB 3.50 (# 1697:25 Unique 3.01, 3.13 A)
&rst
ixpk= 1697, nxpk= 25, iat= 979, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1698 64 VAL HB 5.50 (# 1698:25 Single Ambig)
&rst
ixpk= 1698, nxpk= 25, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 931,1016,
&end
#
# 0 AMB 25-2:1699 64 VAL HB 2.80 (# 1699:25 Single Ambig)
&rst
ixpk= 1699, nxpk= 25, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 70 ASP HN 69 VAL MGX 5.50 (# 1700:25 Unique 2.12, 4.23 A)
&rst
ixpk= 1700, nxpk= 25, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:1701 0 AMB 25-1:1701 3.50 (# 1701:25 Double Ambig)
&rst
ixpk= 1701, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1553,1063,
igr2=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:1703 0 AMB 25-1:1703 2.80 (# 1703:25 Double Ambig)
&rst
ixpk= 1703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 995,1537,
igr2= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,1527,1528,1529,1531,1532,1533,
&end
#
# 71 LEU HN 69 VAL MGX 4.50 (# 1704:25 Unique 4.47, 7.55 A)
&rst
ixpk= 1704, nxpk= 25, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 64 VAL HN 0 AMB 25-1:1705 2.80 (# 1705:25 Single Ambig)
&rst
ixpk= 1705, nxpk= 25, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 0 AMB 25-2:1706 0 AMB 25-1:1706 4.50 (# 1706:25 Double Ambig)
&rst
ixpk= 1706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 837,1449,1450,
igr2=1069,1070,1071,1073,1074,1075,1527,1528,1529,1531,
1532,1533,
&end
#
# 54 PHE HD 69 VAL MGX 5.50 (# 1708:25 Unique 2.93, 8.57 A)
&rst
ixpk= 1708, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 825, 833,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 69 VAL HA 69 VAL MGX 3.50 (# 1710:25 Unique 2.31, 3.34 A)
&rst
ixpk= 1710, nxpk= 25, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:1711 0 AMB 25-1:1711 3.50 (# 1711:25 Double Ambig)
&rst
ixpk= 1711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1539,1499,1016,
igr2=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,1527,1528,1529,1531,1532,1533,
&end
#
# 55 ILE HA 69 VAL MGX 4.50 (# 1712:25 Unique 2.34, 5.11 A)
&rst
ixpk= 1712, nxpk= 25, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:1713 0 AMB 25-1:1713 2.80 (# 1713:25 Double Ambig)
&rst
ixpk= 1713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 981,1031,1032,
igr2= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,1527,1528,1529,1531,1532,1533,1543,1544,
1545,1547,1548,1549,1543,1544,1545,1547,1548,1549,
&end
#
# 0 AMB 25-2:1714 0 AMB 25-1:1714 3.50 (# 1714:25 Double Ambig)
&rst
ixpk= 1714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1034,1035,1034,1035, 557, 558, 557, 558,
igr2=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,1527,1528,1529,1531,1532,1533,
&end
#
# 64 VAL HB 0 AMB 25-1:1715 2.80 (# 1715:25 Single Ambig)
&rst
ixpk= 1715, nxpk= 25, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
&end
#
# 0 AMB 25-2:1716 0 AMB 25-1:1716 2.80 (# 1716:25 Double Ambig)
&rst
ixpk= 1716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1541,1525,2448,2449, 860, 861,1501,1502,
igr2=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,1527,1528,1529,1531,1532,1533,1069,1070,
1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:1717 0 AMB 25-1:1717 2.80 (# 1717:25 Double Ambig)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2331,2448,2449,2328,2329,
igr2=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,1069,1070,1071,1073,1074,1075,
&end
#
# 40 ARG HN 89 ILE HA 5.50 (# 1718:25 Unique 3.56, 3.87 A)
&rst
ixpk= 1718, nxpk= 25, iat= 601,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL HN 89 ILE HA 3.50 (# 1719:25 Unique 2.12, 2.20 A)
&rst
ixpk= 1719, nxpk= 25, iat=1405,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1720 0 AMB 25-1:1720 2.80 (# 1720:25 Double Ambig)
&rst
ixpk= 1720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1014,1386,
igr2= 997,1388,
&end
#
# 0 AMB 25-2:1721 65 ILE HA 4.50 (# 1721:25 Single Ambig)
&rst
ixpk= 1721, nxpk= 25, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 995, 901,
&end
#
# 60 ASN HA 65 ILE HA 4.50 (# 1722:25 Unique 2.42, 2.75 A)
&rst
ixpk= 1722, nxpk= 25, iat= 917, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HA 89 ILE HA 3.50 (# 1723:25 Unique 2.33, 2.54 A)
&rst
ixpk= 1723, nxpk= 25, iat= 584,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 ILE HB 65 ILE HA 3.50 (# 1724:25 Unique 2.57, 2.63 A)
&rst
ixpk= 1724, nxpk= 25, iat= 999, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1725 0 AMB 25-1:1725 3.50 (# 1725:25 Double Ambig)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 592, 593, 592, 593,1005,1006,1005,1006,
igr2=1388, 997,
&end
#
# 61 LEU HG 65 ILE HA 5.50 (# 1726:25 Unique 3.31, 3.86 A)
&rst
ixpk= 1726, nxpk= 25, iat= 936, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HB+ 65 ILE HA 4.50 (# 1727:25 Unique 2.78, 4.71 A)
&rst
ixpk= 1727, nxpk= 25, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 933, 934,
&end
#
# 0 AMB 25-2:1728 89 ILE HA 3.50 (# 1728:25 Single Ambig)
&rst
ixpk= 1728, nxpk= 25, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 595, 596, 597, 540, 541, 542, 544, 545, 546,1360,
1361,1362,1364,1365,1366, 287, 288, 289, 291, 292,
293,
&end
#
# 0 AMB 25-2:1729 0 AMB 25-1:1729 2.80 (# 1729:25 Double Ambig)
&rst
ixpk= 1729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1392,1393,1394, 938, 939, 940, 942, 943, 944,1020,
1021,1022,1024,1025,1026,1020,1021,1022,1024,1025,
1026,
igr2=1388, 997,
&end
#
# 0 AMB 25-2:1730 89 ILE HA 3.50 (# 1730:25 Single Ambig)
&rst
ixpk= 1730, nxpk= 25, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1376,1377,1378,1380,1381,1382,1399,1400,1401,
&end
#
# 0 AMB 25-2:1731 89 ILE HA 2.80 (# 1731:25 Single Ambig)
&rst
ixpk= 1731, nxpk= 25, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 588, 589, 590,1376,1377,1378,1380,1381,1382, 595,
596, 597, 540, 541, 542, 544, 545, 546,1360,1361,
1362,1364,1365,1366,
&end
#
# 65 ILE HN 65 ILE HB 2.80 (# 1732:25 Unique 2.61, 2.83 A)
&rst
ixpk= 1732, nxpk= 25, iat= 995, 999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 ILE HA 65 ILE HB 4.50 (# 1734:25 Unique 2.57, 2.63 A)
&rst
ixpk= 1734, nxpk= 25, iat= 997, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1736 65 ILE HB 2.80 (# 1736:25 Single Ambig)
&rst
ixpk= 1736, nxpk= 25, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1005,1006,1005,1006,
&end
#
# 61 LEU HG 65 ILE HB 5.50 (# 1737:25 Unique 5.36, 5.54 A)
&rst
ixpk= 1737, nxpk= 25, iat= 936, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE QD1 65 ILE HB 2.80 (# 1738:25 Unique 2.48, 3.03 A)
&rst
ixpk= 1738, nxpk= 25, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1008,1009,1010,
&end
#
# 65 ILE QG2 65 ILE HB 2.80 (# 1739:25 Unique 2.37, 2.64 A)
&rst
ixpk= 1739, nxpk= 25, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1001,1002,1003,
&end
#
# 66 VAL HN 0 AMB 25-1:1741 5.50 (# 1741:25 Single Ambig)
&rst
ixpk= 1741, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1005,1006,1005,1006,
&end
#
# 0 AMB 25-2:1742 0 AMB 25-1:1742 3.50 (# 1742:25 Double Ambig)
&rst
ixpk= 1742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 901, 995,
igr2=1005,1006,1005,1006,1005,1006,
&end
#
# 151 LEU HN 150 LEU HG 5.50 (# 1743:25 Unique 2.82, 4.07 A)
&rst
ixpk= 1743, nxpk= 25, iat=2343,2331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1744 0 AMB 25-1:1744 5.50 (# 1744:25 Double Ambig)
&rst
ixpk= 1744, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2324, 979,
igr2=2331,1005,1006,1005,1006,
&end
#
# 67 PRO HA 0 AMB 25-1:1745 5.50 (# 1745:25 Single Ambig)
&rst
ixpk= 1745, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1005,1006,1005,1006,
&end
#
# 59 THR HA 0 AMB 25-1:1746 4.50 (# 1746:25 Single Ambig)
&rst
ixpk= 1746, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1005,1006,1005,1006,
&end
#
# 66 VAL HA 0 AMB 25-1:1747 5.50 (# 1747:25 Single Ambig)
&rst
ixpk= 1747, nxpk= 25, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1005,1006,1005,1006,
&end
#
# 65 ILE HA 0 AMB 25-1:1748 4.50 (# 1748:25 Single Ambig)
&rst
ixpk= 1748, nxpk= 25, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1005,1006,1005,1006,
&end
#
# 0 AMB 25-2:1749 0 AMB 25-1:1749 5.50 (# 1749:25 Double Ambig)
&rst
ixpk= 1749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=2270, 981,1031,1032,
igr2=2331,1005,1006,1005,1006,
&end
#
# 150 LEU HA 150 LEU HG 5.50 (# 1750:25 Unique 2.46, 2.86 A)
&rst
ixpk= 1750, nxpk= 25, iat=2326,2331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1751 0 AMB 25-1:1751 5.50 (# 1751:25 Double Ambig)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 919, 920, 919, 920,
igr2=1005,1006,1005,1006,
&end
#
# 65 ILE HB 0 AMB 25-1:1752 2.80 (# 1752:25 Single Ambig)
&rst
ixpk= 1752, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1005,1006,1005,1006,
&end
#
# 0 AMB 25-2:1753 0 AMB 25-1:1753 2.80 (# 1753:25 Double Ambig)
&rst
ixpk= 1753, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2333,2334,2335,2337,2338,2339,1008,1009,1010, 891,
892, 893, 895, 896, 897, 891, 892, 893, 895, 896,
897,
igr2=2331,1005,1006,1005,1006,1005,1006,1005,1006,
&end
#
# 66 VAL HN 65 ILE QG2 3.50 (# 1754:25 Unique 2.76, 4.32 A)
&rst
ixpk= 1754, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1001,1002,1003,
&end
#
# 65 ILE HN 65 ILE QG2 3.50 (# 1755:25 Unique 2.40, 3.47 A)
&rst
ixpk= 1755, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1001,1002,1003,
&end
#
# 58 VAL HA 65 ILE QG2 5.50 (# 1756:25 Unique 5.06, 6.87 A)
&rst
ixpk= 1756, nxpk= 25, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1001,1002,1003,
&end
#
# 60 ASN HA 65 ILE QG2 5.50 (# 1757:25 Unique 4.79, 6.26 A)
&rst
ixpk= 1757, nxpk= 25, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1001,1002,1003,
&end
#
# 66 VAL HA 65 ILE QG2 5.50 (# 1759:25 Unique 3.43, 4.52 A)
&rst
ixpk= 1759, nxpk= 25, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1001,1002,1003,
&end
#
# 65 ILE HA 65 ILE QG2 3.50 (# 1760:25 Unique 3.08, 3.92 A)
&rst
ixpk= 1760, nxpk= 25, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1001,1002,1003,
&end
#
# 0 AMB 25-2:1761 65 ILE QG2 4.50 (# 1761:25 Single Ambig)
&rst
ixpk= 1761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1031,1032, 981,
igr2=1001,1002,1003,
&end
#
# 65 ILE HB 65 ILE QG2 2.80 (# 1762:25 Unique 2.37, 2.64 A)
&rst
ixpk= 1762, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1001,1002,1003,
&end
#
# 58 VAL HB 65 ILE QG2 3.50 (# 1763:25 Unique 2.99, 4.95 A)
&rst
ixpk= 1763, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1001,1002,1003,
&end
#
# 0 AMB 25-2:1765 65 ILE QG2 2.80 (# 1765:25 Single Ambig)
&rst
ixpk= 1765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1005,1006,1005,1006,
igr2=1001,1002,1003,
&end
#
# 61 LEU HN 65 ILE QD1 5.50 (# 1766:25 Unique 3.32, 4.64 A)
&rst
ixpk= 1766, nxpk= 25, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1008,1009,1010,
&end
#
# 66 VAL HN 65 ILE QD1 4.50 (# 1767:25 Unique 3.08, 4.21 A)
&rst
ixpk= 1767, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1008,1009,1010,
&end
#
# 0 AMB 25-2:1768 65 ILE QD1 5.50 (# 1768:25 Single Ambig)
&rst
ixpk= 1768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 901, 995,
igr2=1008,1009,1010,
&end
#
# 60 ASN HA 65 ILE QD1 4.50 (# 1771:25 Unique 2.03, 3.15 A)
&rst
ixpk= 1771, nxpk= 25, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1008,1009,1010,
&end
#
# 65 ILE HA 65 ILE QD1 3.50 (# 1772:25 Unique 2.16, 3.15 A)
&rst
ixpk= 1772, nxpk= 25, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1008,1009,1010,
&end
#
# 64 VAL HA 65 ILE QD1 5.50 (# 1773:25 Unique 5.02, 5.94 A)
&rst
ixpk= 1773, nxpk= 25, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1008,1009,1010,
&end
#
# 60 ASN HB+ 65 ILE QD1 5.50 (# 1774:25 Unique 2.42, 4.63 A)
&rst
ixpk= 1774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 919, 920,
igr2=1008,1009,1010,
&end
#
# 60 ASN HB- 65 ILE QD1 5.50 (# 1775:25 Unique 2.42, 4.63 A)
&rst
ixpk= 1775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 919, 920,
igr2=1008,1009,1010,
&end
#
# 65 ILE HB 65 ILE QD1 3.50 (# 1776:25 Unique 2.48, 3.03 A)
&rst
ixpk= 1776, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1008,1009,1010,
&end
#
# 61 LEU HB+ 65 ILE QD1 5.50 (# 1777:25 Unique 4.84, 7.41 A)
&rst
ixpk= 1777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 933, 934,
igr2=1008,1009,1010,
&end
#
# 0 AMB 25-2:1778 65 ILE QD1 2.80 (# 1778:25 Single Ambig)
&rst
ixpk= 1778, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1005,1006,1005,1006,
igr2=1008,1009,1010,
&end
#
# 61 LEU HG 65 ILE QD1 5.50 (# 1779:25 Unique 5.23, 6.71 A)
&rst
ixpk= 1779, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1008,1009,1010,
&end
#
# 0 AMB 25-2:1780 65 ILE QD1 5.50 (# 1780:25 Single Ambig)
&rst
ixpk= 1780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 704, 705, 706, 933, 934,
igr2=1008,1009,1010,
&end
#
# 0 AMB 25-2:1781 65 ILE QD1 4.50 (# 1781:25 Single Ambig)
&rst
ixpk= 1781, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 985, 986, 987, 989, 990, 991, 985, 986, 987, 989,
990, 991,
igr2=1008,1009,1010,
&end
#
# 66 VAL HN 66 VAL HA 5.50 (# 1783:25 Unique 2.92, 2.94 A)
&rst
ixpk= 1783, nxpk= 25, iat=1014,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1784 66 VAL HA 5.50 (# 1784:25 Single Ambig)
&rst
ixpk= 1784, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 929,1553,
&end
#
# 67 PRO HD- 66 VAL HA 3.50 (# 1786:25 Unique 2.28, 2.44 A)
&rst
ixpk= 1786, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1031,1032,
&end
#
# 66 VAL HB 66 VAL HA 4.50 (# 1787:25 Unique 2.43, 2.65 A)
&rst
ixpk= 1787, nxpk= 25, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1788 66 VAL HA 2.80 (# 1788:25 Single Ambig)
&rst
ixpk= 1788, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1527,1528,1529,1531,1532,1533,1543,1544,1545,1547,
1548,1549,
&end
#
# 0 AMB 25-2:1789 66 VAL HA 2.80 (# 1789:25 Single Ambig)
&rst
ixpk= 1789, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,1527,1528,1529,1531,1532,1533,1001,1002,
1003,
&end
#
# 0 AMB 25-2:1790 66 VAL HB 5.50 (# 1790:25 Single Ambig)
&rst
ixpk= 1790, nxpk= 25, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 929,1553,
&end
#
# 66 VAL HN 66 VAL HB 3.50 (# 1791:25 Unique 2.66, 3.06 A)
&rst
ixpk= 1791, nxpk= 25, iat=1014,1018, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 VAL HA 66 VAL HB 4.50 (# 1792:25 Unique 2.43, 2.65 A)
&rst
ixpk= 1792, nxpk= 25, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 THR MG2 66 VAL HB 4.50 (# 1794:25 Unique 2.45, 4.65 A)
&rst
ixpk= 1794, nxpk= 25, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 907, 908, 909,
&end
#
# 0 AMB 25-2:1795 66 VAL HB 4.50 (# 1795:25 Single Ambig)
&rst
ixpk= 1795, nxpk= 25, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1527,1528,1529,1531,1532,1533,1376,1377,1378,1380,
1381,1382,
&end
#
# 0 AMB 25-2:1796 66 VAL HB 2.80 (# 1796:25 Single Ambig)
&rst
ixpk= 1796, nxpk= 25, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 938, 939, 940, 942, 943, 944,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
&end
#
# 0 AMB 25-2:1797 66 VAL HB 5.50 (# 1797:25 Single Ambig)
&rst
ixpk= 1797, nxpk= 25, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1005,1006,1005,1006,
&end
#
# 0 AMB 25-2:1798 0 AMB 25-1:1798 3.50 (# 1798:25 Double Ambig)
&rst
ixpk= 1798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1553, 929,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 66 VAL HN 0 AMB 25-1:1799 4.50 (# 1799:25 Single Ambig)
&rst
ixpk= 1799, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1800 0 AMB 25-1:1800 4.50 (# 1800:25 Double Ambig)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1537, 901, 995,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1801 0 AMB 25-1:1801 5.50 (# 1801:25 Double Ambig)
&rst
ixpk= 1801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1555,1556,1555,1556,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1802 0 AMB 25-1:1802 5.50 (# 1802:25 Double Ambig)
&rst
ixpk= 1802, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1523, 917,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 59 THR HA 0 AMB 25-1:1803 5.50 (# 1803:25 Single Ambig)
&rst
ixpk= 1803, nxpk= 25, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1805 0 AMB 25-1:1805 2.80 (# 1805:25 Double Ambig)
&rst
ixpk= 1805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1539,1016,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 65 ILE HA 0 AMB 25-1:1806 4.50 (# 1806:25 Single Ambig)
&rst
ixpk= 1806, nxpk= 25, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 90 VAL HA 0 AMB 25-1:1807 5.50 (# 1807:25 Single Ambig)
&rst
ixpk= 1807, nxpk= 25, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 67 PRO HD- 0 AMB 25-1:1808 4.50 (# 1808:25 Single Ambig)
&rst
ixpk= 1808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1031,1032,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 99 GLY HA- 0 AMB 25-1:1809 5.50 (# 1809:25 Single Ambig)
&rst
ixpk= 1809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1555,1556,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1810 0 AMB 25-1:1810 4.50 (# 1810:25 Double Ambig)
&rst
ixpk= 1810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1034,1035,1034,1035, 557, 558, 557, 558, 557, 558,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1811 0 AMB 25-1:1811 2.80 (# 1811:25 Double Ambig)
&rst
ixpk= 1811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1018,1034,1035,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 97 VAL HB 0 AMB 25-1:1812 3.50 (# 1812:25 Single Ambig)
&rst
ixpk= 1812, nxpk= 25, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1814 0 AMB 25-1:1814 3.50 (# 1814:25 Double Ambig)
&rst
ixpk= 1814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 933, 934,1054,1055,1054,1055,1054,1055,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 68 ILE QD1 0 AMB 25-1:1815 2.80 (# 1815:25 Single Ambig)
&rst
ixpk= 1815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1057,1058,1059,
igr2=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 0 AMB 25-2:1816 68 ILE HB 4.50 (# 1816:25 Single Ambig)
&rst
ixpk= 1816, nxpk= 25, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1044, 885,
&end
#
# 68 ILE HA 68 ILE HB 5.50 (# 1819:25 Unique 3.02, 3.04 A)
&rst
ixpk= 1819, nxpk= 25, iat=1046,1048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1820 68 ILE HB 4.50 (# 1820:25 Single Ambig)
&rst
ixpk= 1820, nxpk= 25, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1054,1055,1054,1055,
&end
#
# 68 ILE QG2 68 ILE HB 3.50 (# 1821:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1821, nxpk= 25, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1050,1051,1052,
&end
#
# 0 AMB 25-2:1822 68 ILE HB 4.50 (# 1822:25 Single Ambig)
&rst
ixpk= 1822, nxpk= 25, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
&end
#
# 45 VAL MGY 68 ILE HB 5.50 (# 1823:25 Unique 2.40, 4.60 A)
&rst
ixpk= 1823, nxpk= 25, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:1824 0 AMB 25-1:1824 5.50 (# 1824:25 Double Ambig)
&rst
ixpk= 1824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1044, 885,
igr2=1054,1055,1054,1055,1054,1055,
&end
#
# 68 ILE HA 0 AMB 25-1:1825 5.50 (# 1825:25 Single Ambig)
&rst
ixpk= 1825, nxpk= 25, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1054,1055,1054,1055,
&end
#
# 68 ILE HB 0 AMB 25-1:1826 2.80 (# 1826:25 Single Ambig)
&rst
ixpk= 1826, nxpk= 25, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1054,1055,1054,1055,
&end
#
# 100 ILE HB 0 AMB 25-1:1827 4.50 (# 1827:25 Single Ambig)
&rst
ixpk= 1827, nxpk= 25, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1054,1055,1054,1055,
&end
#
# 0 AMB 25-2:1828 0 AMB 25-1:1828 4.50 (# 1828:25 Double Ambig)
&rst
ixpk= 1828, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1376,1377,1378,1380,1381,1382,1543,1544,1545,1547,
1548,1549,
igr2=1054,1055,1054,1055,1054,1055,
&end
#
# 68 ILE QG2 0 AMB 25-1:1829 3.50 (# 1829:25 Single Ambig)
&rst
ixpk= 1829, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1050,1051,1052,
igr2=1054,1055,1054,1055,
&end
#
# 0 AMB 25-2:1830 0 AMB 25-1:1830 4.50 (# 1830:25 Double Ambig)
&rst
ixpk= 1830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
igr2=1054,1055,1054,1055,1054,1055,
&end
#
# 45 VAL MGY 0 AMB 25-1:1831 4.50 (# 1831:25 Single Ambig)
&rst
ixpk= 1831, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 688, 689, 690, 692, 693, 694,
igr2=1054,1055,1054,1055,
&end
#
# 45 VAL MGX 0 AMB 25-1:1832 5.50 (# 1832:25 Single Ambig)
&rst
ixpk= 1832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 688, 689, 690, 692, 693, 694,
igr2=1054,1055,1054,1055,
&end
#
# 69 VAL HN 68 ILE QG2 4.50 (# 1833:25 Unique 2.38, 3.40 A)
&rst
ixpk= 1833, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1050,1051,1052,
&end
#
# 0 AMB 25-2:1834 68 ILE QG2 3.50 (# 1834:25 Single Ambig)
&rst
ixpk= 1834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1044, 885,
igr2=1050,1051,1052,
&end
#
# 0 AMB 25-2:1837 68 ILE QG2 5.50 (# 1837:25 Single Ambig)
&rst
ixpk= 1837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1081,1581,
igr2=1050,1051,1052,
&end
#
# 68 ILE HA 68 ILE QG2 3.50 (# 1838:25 Unique 2.58, 3.28 A)
&rst
ixpk= 1838, nxpk= 25, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1050,1051,1052,
&end
#
# 68 ILE HB 68 ILE QG2 2.80 (# 1839:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1839, nxpk= 25, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1050,1051,1052,
&end
#
# 0 AMB 25-2:1841 68 ILE QG2 2.80 (# 1841:25 Single Ambig)
&rst
ixpk= 1841, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1054,1055,1054,1055,
igr2=1050,1051,1052,
&end
#
# 0 AMB 25-2:1842 68 ILE QG2 2.80 (# 1842:25 Single Ambig)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1585,1586,1587,1589,1590,1591,1585,1586,1587,1589,
1590,1591,
igr2=1050,1051,1052,
&end
#
# 45 VAL MGY 68 ILE QG2 3.50 (# 1843:25 Unique 2.39, 4.88 A)
&rst
ixpk= 1843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 688, 689, 690, 692, 693, 694,
igr2=1050,1051,1052,
&end
#
# 45 VAL MGX 68 ILE QG2 3.50 (# 1844:25 Unique 2.39, 4.88 A)
&rst
ixpk= 1844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 688, 689, 690, 692, 693, 694,
igr2=1050,1051,1052,
&end
#
# 99 GLY HN 68 ILE QD1 5.50 (# 1845:25 Unique 2.37, 3.67 A)
&rst
ixpk= 1845, nxpk= 25, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1057,1058,1059,
&end
#
# 0 AMB 25-2:1846 68 ILE QD1 5.50 (# 1846:25 Single Ambig)
&rst
ixpk= 1846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1560,1386,
igr2=1057,1058,1059,
&end
#
# 0 AMB 25-2:1847 68 ILE QD1 5.50 (# 1847:25 Single Ambig)
&rst
ixpk= 1847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1044,1370,
igr2=1057,1058,1059,
&end
#
# 99 GLY HA+ 68 ILE QD1 4.50 (# 1848:25 Unique 2.37, 3.64 A)
&rst
ixpk= 1848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1555,1556,
igr2=1057,1058,1059,
&end
#
# 68 ILE HA 68 ILE QD1 3.50 (# 1849:25 Unique 2.11, 2.99 A)
&rst
ixpk= 1849, nxpk= 25, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1057,1058,1059,
&end
#
# 59 THR HB 68 ILE QD1 5.50 (# 1850:25 Unique 2.31, 4.15 A)
&rst
ixpk= 1850, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1057,1058,1059,
&end
#
# 99 GLY HA- 68 ILE QD1 4.50 (# 1851:25 Unique 2.37, 3.64 A)
&rst
ixpk= 1851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1555,1556,
igr2=1057,1058,1059,
&end
#
# 0 AMB 25-2:1852 68 ILE QD1 5.50 (# 1852:25 Single Ambig)
&rst
ixpk= 1852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=1018,1034,1035, 669, 670, 860, 861,
igr2=1057,1058,1059,
&end
#
# 0 AMB 25-2:1853 68 ILE QD1 5.50 (# 1853:25 Single Ambig)
&rst
ixpk= 1853, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 889,1425,1426,1525,
igr2=1057,1058,1059,
&end
#
# 0 AMB 25-2:1854 68 ILE QD1 4.50 (# 1854:25 Single Ambig)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1374,1048,
igr2=1057,1058,1059,
&end
#
# 100 ILE HB 68 ILE QD1 5.50 (# 1855:25 Unique 5.92, 7.15 A)
&rst
ixpk= 1855, nxpk= 25, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1057,1058,1059,
&end
#
# 0 AMB 25-2:1856 68 ILE QD1 3.50 (# 1856:25 Single Ambig)
&rst
ixpk= 1856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1054,1055,1054,1055,
igr2=1057,1058,1059,
&end
#
# 59 THR MG2 68 ILE QD1 2.80 (# 1857:25 Unique 2.22, 3.85 A)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 907, 908, 909,
igr2=1057,1058,1059,
&end
#
# 88 VAL MGY 68 ILE QD1 2.80 (# 1858:25 Unique 2.29, 4.27 A)
&rst
ixpk= 1858, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1376,1377,1378,1380,1381,1382,
igr2=1057,1058,1059,
&end
#
# 45 VAL MGX 68 ILE QD1 4.50 (# 1859:25 Unique 3.50, 6.32 A)
&rst
ixpk= 1859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 688, 689, 690, 692, 693, 694,
igr2=1057,1058,1059,
&end
#
# 69 VAL HN 69 VAL HB 4.50 (# 1860:25 Unique 2.14, 3.27 A)
&rst
ixpk= 1860, nxpk= 25, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ILE HA 69 VAL HB 5.50 (# 1861:25 Unique 3.52, 4.36 A)
&rst
ixpk= 1861, nxpk= 25, iat=1562,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL HA 69 VAL HB 4.50 (# 1862:25 Unique 2.62, 2.81 A)
&rst
ixpk= 1862, nxpk= 25, iat=1065,1067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1863 69 VAL HB 3.50 (# 1863:25 Single Ambig)
&rst
ixpk= 1863, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1069,1070,1071,1073,1074,1075,1147,1148,1149,
&end
#
# 0 AMB 25-2:1864 69 VAL HB 2.80 (# 1864:25 Single Ambig)
&rst
ixpk= 1864, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1069,1070,1071,1073,1074,1075,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,
&end
#
# 100 ILE QG2 69 VAL HB 4.50 (# 1865:25 Unique 2.33, 3.75 A)
&rst
ixpk= 1865, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1566,1567,1568,
&end
#
# 54 PHE HD 69 VAL MGY 5.50 (# 1867:25 Unique 2.93, 8.57 A)
&rst
ixpk= 1867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 825, 833,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 57 GLY HN 69 VAL MGY 5.50 (# 1868:25 Unique 4.56, 6.56 A)
&rst
ixpk= 1868, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 100 ILE HA 69 VAL MGY 5.50 (# 1869:25 Unique 2.78, 5.47 A)
&rst
ixpk= 1869, nxpk= 25, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1069,1070,1071,1073,1074,1075,
&end
#
# 0 AMB 25-2:1870 0 AMB 25-1:1870 4.50 (# 1870:25 Double Ambig)
&rst
ixpk= 1870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 839, 107, 141, 63,
igr2=1069,1070,1071,1073,1074,1075, 93, 94, 95, 97,
98, 99,
&end
#
# 135 GLY HN 134 LEU HA 3.50 (# 1871:25 Unique 2.17, 2.33 A)
&rst
ixpk= 1871, nxpk= 25, iat=2085,2068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 ILE HA 134 LEU HA 4.50 (# 1874:25 Unique 2.22, 2.35 A)
&rst
ixpk= 1874, nxpk= 25, iat=2202,2068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1875 134 LEU HA 4.50 (# 1875:25 Single Ambig)
&rst
ixpk= 1875, nxpk= 25, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1800,1801,1837,1838,
&end
#
# 134 LEU HB+ 134 LEU HA 3.50 (# 1876:25 Unique 2.33, 2.48 A)
&rst
ixpk= 1876, nxpk= 25, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2070,2071,
&end
#
# 144 LEU HB+ 134 LEU HA 5.50 (# 1877:25 Unique 2.70, 4.19 A)
&rst
ixpk= 1877, nxpk= 25, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2223,2224,
&end
#
# 144 LEU HG 134 LEU HA 5.50 (# 1878:25 Unique 2.64, 4.30 A)
&rst
ixpk= 1878, nxpk= 25, iat=2226,2068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1879 134 LEU HA 3.50 (# 1879:25 Single Ambig)
&rst
ixpk= 1879, nxpk= 25, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 116 ILE QG2 134 LEU HA 5.50 (# 1880:25 Unique 3.31, 5.20 A)
&rst
ixpk= 1880, nxpk= 25, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1796,1797,1798,
&end
#
# 70 ASP HN 70 ASP HB+ 5.50 (# 1881:25 Unique 2.09, 2.94 A)
&rst
ixpk= 1881, nxpk= 25, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 70 ASP HA 70 ASP HB+ 5.50 (# 1882:25 Unique 2.29, 2.71 A)
&rst
ixpk= 1882, nxpk= 25, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 0 AMB 25-2:1886 0 AMB 25-1:1886 4.50 (# 1886:25 Double Ambig)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1114,1115,1114,1115,1138,
igr2=1083,1084,1083,1084,1083,1084,
&end
#
# 0 AMB 25-2:1888 0 AMB 25-1:1888 4.50 (# 1888:25 Double Ambig)
&rst
ixpk= 1888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1147,1148,1149,1585,1586,1587,1589,1590,1591,1585,
1586,1587,1589,1590,1591,
igr2=1083,1084,1083,1084,1083,1084,
&end
#
# 0 AMB 25-2:1889 0 AMB 25-1:1889 3.50 (# 1889:25 Double Ambig)
&rst
ixpk= 1889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 356, 357, 358, 360, 361, 362,1163,1164,
igr2=1095,1096,1095,1096,
&end
#
# 0 AMB 25-2:1890 71 LEU HB- 2.80 (# 1890:25 Single Ambig)
&rst
ixpk= 1890, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 356, 357, 358, 360, 361, 362,1163,1164,
igr2=1095,1096,
&end
#
# 71 LEU HA 71 LEU HB+ 5.50 (# 1891:25 Unique 2.39, 2.75 A)
&rst
ixpk= 1891, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1095,1096,
&end
#
# 71 LEU HA 71 LEU HB- 4.50 (# 1892:25 Unique 2.39, 2.75 A)
&rst
ixpk= 1892, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1095,1096,
&end
#
# 71 LEU HN 71 LEU HB+ 5.50 (# 1893:25 Unique 2.42, 3.12 A)
&rst
ixpk= 1893, nxpk= 25, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1095,1096,
&end
#
# 71 LEU HN 71 LEU HB- 5.50 (# 1894:25 Unique 2.42, 3.12 A)
&rst
ixpk= 1894, nxpk= 25, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1095,1096,
&end
#
# 71 LEU HN 71 LEU HA 5.50 (# 1895:25 Unique 2.87, 2.92 A)
&rst
ixpk= 1895, nxpk= 25, iat=1091,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LYS HN 71 LEU HA 5.50 (# 1896:25 Unique 2.43, 3.14 A)
&rst
ixpk= 1896, nxpk= 25, iat=1153,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HB+ 71 LEU HA 3.50 (# 1898:25 Unique 2.39, 2.75 A)
&rst
ixpk= 1898, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1095,1096,
&end
#
# 71 LEU HG 71 LEU HA 5.50 (# 1899:25 Unique 2.29, 3.08 A)
&rst
ixpk= 1899, nxpk= 25, iat=1098,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HB- 71 LEU HA 3.50 (# 1900:25 Unique 2.39, 2.75 A)
&rst
ixpk= 1900, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1095,1096,
&end
#
# 74 LYS HB+ 71 LEU HA 4.50 (# 1901:25 Unique 2.07, 3.49 A)
&rst
ixpk= 1901, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 74 LYS HB- 71 LEU HA 4.50 (# 1902:25 Unique 2.07, 3.49 A)
&rst
ixpk= 1902, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 0 AMB 25-2:1903 71 LEU HA 4.50 (# 1903:25 Single Ambig)
&rst
ixpk= 1903, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1069,1070,1071,1073,1074,1075,1585,1586,1587,1589,
1590,1591,
&end
#
# 0 AMB 25-2:1904 71 LEU HA 2.80 (# 1904:25 Single Ambig)
&rst
ixpk= 1904, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,1163,1164,
&end
#
# 74 LYS HN 73 ILE HB 4.50 (# 1905:25 Unique 2.37, 3.85 A)
&rst
ixpk= 1905, nxpk= 25, iat=1153,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ILE HN 73 ILE HB 4.50 (# 1906:25 Unique 2.57, 3.17 A)
&rst
ixpk= 1906, nxpk= 25, iat=1134,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HA 73 ILE HB 3.50 (# 1907:25 Unique 2.92, 3.42 A)
&rst
ixpk= 1907, nxpk= 25, iat= 819,1138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ILE HA 73 ILE HB 4.50 (# 1908:25 Unique 2.49, 2.80 A)
&rst
ixpk= 1908, nxpk= 25, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 PHE HB+ 73 ILE HB 5.50 (# 1909:25 Unique 3.61, 5.48 A)
&rst
ixpk= 1909, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 821, 822,
&end
#
# 70 ASP HB+ 73 ILE HB 5.50 (# 1910:25 Unique 3.84, 5.75 A)
&rst
ixpk= 1910, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1083,1084,
&end
#
# 73 ILE HG1- 73 ILE HB 3.50 (# 1911:25 Unique 2.41, 2.80 A)
&rst
ixpk= 1911, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1144,1145,
&end
#
# 0 AMB 25-2:1912 73 ILE HB 4.50 (# 1912:25 Single Ambig)
&rst
ixpk= 1912, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1144,1145,1938,1939,1940,
&end
#
# 0 AMB 25-2:1913 73 ILE HB 2.80 (# 1913:25 Single Ambig)
&rst
ixpk= 1913, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1140,1141,1142,1147,1148,1149,
&end
#
# 74 LYS HN 73 ILE HA 4.50 (# 1914:25 Unique 2.85, 3.32 A)
&rst
ixpk= 1914, nxpk= 25, iat=1153,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ILE HN 73 ILE HA 4.50 (# 1915:25 Unique 2.78, 2.89 A)
&rst
ixpk= 1915, nxpk= 25, iat=1134,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1916 73 ILE HA 4.50 (# 1916:25 Single Ambig)
&rst
ixpk= 1916, nxpk= 25, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1197, 819,
&end
#
# 0 AMB 25-2:1917 73 ILE HA 5.50 (# 1917:25 Single Ambig)
&rst
ixpk= 1917, nxpk= 25, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1083,1084,1166,1167,1166,1167,1920,
&end
#
# 73 ILE HB 73 ILE HA 4.50 (# 1919:25 Unique 2.49, 2.80 A)
&rst
ixpk= 1919, nxpk= 25, iat=1138,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ILE HG1- 73 ILE HA 3.50 (# 1920:25 Unique 2.53, 3.45 A)
&rst
ixpk= 1920, nxpk= 25, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1144,1145,
&end
#
# 0 AMB 25-2:1922 73 ILE HA 3.50 (# 1922:25 Single Ambig)
&rst
ixpk= 1922, nxpk= 25, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1938,1939,1940,1144,1145,
&end
#
# 73 ILE QG2 73 ILE HA 2.80 (# 1923:25 Unique 2.18, 2.94 A)
&rst
ixpk= 1923, nxpk= 25, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1140,1141,1142,
&end
#
# 0 AMB 25-2:1924 73 ILE HA 5.50 (# 1924:25 Single Ambig)
&rst
ixpk= 1924, nxpk= 25, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1163,1164,1257,1258,1259,1261,1262,1263,1257,1258,
1259,1261,1262,1263,
&end
#
# 73 ILE HN 73 ILE HG1- 5.50 (# 1925:25 Unique 1.83, 2.67 A)
&rst
ixpk= 1925, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1144,1145,
&end
#
# 73 ILE HN 73 ILE HG1+ 5.50 (# 1926:25 Unique 1.83, 2.67 A)
&rst
ixpk= 1926, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1144,1145,
&end
#
# 0 AMB 25-2:1927 0 AMB 25-1:1927 4.50 (# 1927:25 Double Ambig)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2270,1136,
igr2=2278,2279,1144,1145,
&end
#
# 73 ILE HA 73 ILE HG1+ 4.50 (# 1928:25 Unique 2.53, 3.45 A)
&rst
ixpk= 1928, nxpk= 25, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1144,1145,
&end
#
# 0 AMB 25-2:1929 0 AMB 25-1:1929 2.80 (# 1929:25 Double Ambig)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 516, 517,1138,
igr2=2278,2279,1144,1145,
&end
#
# 0 AMB 25-2:1930 0 AMB 25-1:1930 4.50 (# 1930:25 Double Ambig)
&rst
ixpk= 1930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1138,1114,1115,1114,1115,
igr2=1144,1145,1144,1145,1144,1145,
&end
#
# 0 AMB 25-2:1931 0 AMB 25-1:1931 2.80 (# 1931:25 Double Ambig)
&rst
ixpk= 1931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1140,1141,1142,1147,1148,1149,2281,2282,2283,
igr2=1144,1145,2278,2279,
&end
#
# 0 AMB 25-2:1932 0 AMB 25-1:1932 2.80 (# 1932:25 Double Ambig)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1140,1141,1142,1147,1148,1149,
igr2=1144,1145,1144,1145,
&end
#
# 0 AMB 25-2:1933 0 AMB 25-1:1933 4.50 (# 1933:25 Double Ambig)
&rst
ixpk= 1933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=2333,2334,2335,2337,2338,2339,1163,1164,1100,1101,
1102,1104,1105,1106,
igr2=2278,2279,1144,1145,
&end
#
# 0 AMB 25-2:1934 0 AMB 25-1:1934 5.50 (# 1934:25 Double Ambig)
&rst
ixpk= 1934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.81, r4=13.31,
igr1=1163,1164,1100,1101,1102,1104,1105,1106,1100,1101,
1102,1104,1105,1106,1257,1258,1259,1261,1262,1263,
igr2=1144,1145,1144,1145,1144,1145,1144,1145,
&end
#
# 56 LYS HN 73 ILE QG2 5.50 (# 1935:25 Unique 5.69, 7.62 A)
&rst
ixpk= 1935, nxpk= 25, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1140,1141,1142,
&end
#
# 74 LYS HN 73 ILE QG2 4.50 (# 1937:25 Unique 3.78, 5.22 A)
&rst
ixpk= 1937, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1140,1141,1142,
&end
#
# 54 PHE HE 73 ILE QG2 5.50 (# 1938:25 Unique 2.81, 6.12 A)
&rst
ixpk= 1938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 827, 831,
igr2=1140,1141,1142,
&end
#
# 0 AMB 25-2:1939 73 ILE QG2 4.50 (# 1939:25 Single Ambig)
&rst
ixpk= 1939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 817, 825, 833,
igr2=1140,1141,1142,
&end
#
# 73 ILE HN 73 ILE QG2 5.50 (# 1940:25 Unique 2.33, 4.03 A)
&rst
ixpk= 1940, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1140,1141,1142,
&end
#
# 54 PHE HA 73 ILE QG2 3.50 (# 1942:25 Unique 2.05, 3.64 A)
&rst
ixpk= 1942, nxpk= 25, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1140,1141,1142,
&end
#
# 0 AMB 25-2:1944 73 ILE QG2 2.80 (# 1944:25 Single Ambig)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1136, 809,
igr2=1140,1141,1142,
&end
#
# 74 LYS HA 73 ILE QG2 5.50 (# 1945:25 Unique 3.75, 6.08 A)
&rst
ixpk= 1945, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1140,1141,1142,
&end
#
# 54 PHE HB+ 73 ILE QG2 4.50 (# 1946:25 Unique 2.25, 5.75 A)
&rst
ixpk= 1946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 821, 822,
igr2=1140,1141,1142,
&end
#
# 54 PHE HB- 73 ILE QG2 4.50 (# 1947:25 Unique 2.25, 5.75 A)
&rst
ixpk= 1947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 821, 822,
igr2=1140,1141,1142,
&end
#
# 70 ASP HB- 73 ILE QG2 5.50 (# 1948:25 Unique 3.28, 6.33 A)
&rst
ixpk= 1948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1083,1084,
igr2=1140,1141,1142,
&end
#
# 73 ILE HB 73 ILE QG2 2.80 (# 1950:25 Unique 2.37, 2.66 A)
&rst
ixpk= 1950, nxpk= 25, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1140,1141,1142,
&end
#
# 53 ALA MB 73 ILE QG2 2.80 (# 1952:25 Unique 2.44, 4.45 A)
&rst
ixpk= 1952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 811, 812, 813,
igr2=1140,1141,1142,
&end
#
# 0 AMB 25-2:1953 73 ILE QG2 2.80 (# 1953:25 Single Ambig)
&rst
ixpk= 1953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1144,1145,1938,1939,1940,
igr2=1140,1141,1142,
&end
#
# 72 ARG HN 73 ILE QD1 5.50 (# 1955:25 Unique 3.07, 5.87 A)
&rst
ixpk= 1955, nxpk= 25, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 74 LYS HN 73 ILE QD1 5.50 (# 1957:25 Unique 4.43, 5.80 A)
&rst
ixpk= 1957, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 73 ILE HN 73 ILE QD1 4.50 (# 1958:25 Unique 1.86, 4.19 A)
&rst
ixpk= 1958, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1147,1148,1149,
&end
#
# 54 PHE HA 73 ILE QD1 4.50 (# 1961:25 Unique 2.06, 3.07 A)
&rst
ixpk= 1961, nxpk= 25, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1147,1148,1149,
&end
#
# 0 AMB 25-2:1962 73 ILE QD1 3.50 (# 1962:25 Single Ambig)
&rst
ixpk= 1962, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 809,1136,1112,
igr2=1147,1148,1149,
&end
#
# 54 PHE HB+ 73 ILE QD1 5.50 (# 1963:25 Unique 3.15, 5.39 A)
&rst
ixpk= 1963, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 821, 822,
igr2=1147,1148,1149,
&end
#
# 70 ASP HB+ 73 ILE QD1 4.50 (# 1964:25 Unique 2.36, 4.16 A)
&rst
ixpk= 1964, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1083,1084,
igr2=1147,1148,1149,
&end
#
# 54 PHE HB- 73 ILE QD1 5.50 (# 1965:25 Unique 3.15, 5.39 A)
&rst
ixpk= 1965, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 821, 822,
igr2=1147,1148,1149,
&end
#
# 70 ASP HB- 73 ILE QD1 4.50 (# 1966:25 Unique 2.36, 4.16 A)
&rst
ixpk= 1966, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1083,1084,
igr2=1147,1148,1149,
&end
#
# 0 AMB 25-2:1968 73 ILE QD1 2.80 (# 1968:25 Single Ambig)
&rst
ixpk= 1968, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1138, 860, 861,1114,1115,1114,1115,
igr2=1147,1148,1149,
&end
#
# 73 ILE HG1- 73 ILE QD1 2.80 (# 1969:25 Unique 2.32, 2.65 A)
&rst
ixpk= 1969, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1144,1145,
igr2=1147,1148,1149,
&end
#
# 53 ALA MB 73 ILE QD1 3.50 (# 1970:25 Unique 2.62, 6.05 A)
&rst
ixpk= 1970, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 811, 812, 813,
igr2=1147,1148,1149,
&end
#
# 73 ILE HG1+ 73 ILE QD1 2.80 (# 1971:25 Unique 2.32, 2.65 A)
&rst
ixpk= 1971, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1144,1145,
igr2=1147,1148,1149,
&end
#
# 0 AMB 25-2:1972 73 ILE QD1 5.50 (# 1972:25 Single Ambig)
&rst
ixpk= 1972, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1163,1164,1257,1258,1259,1261,1262,1263,1257,1258,
1259,1261,1262,1263,
igr2=1147,1148,1149,
&end
#
# 70 ASP HN 73 ILE QD1 5.50 (# 1973:25 Unique 1.88, 3.38 A)
&rst
ixpk= 1973, nxpk= 25, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 74 LYS HN 74 LYS HA 4.50 (# 1974:25 Unique 2.82, 2.95 A)
&rst
ixpk= 1974, nxpk= 25, iat=1153,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 LEU HN 74 LYS HA 5.50 (# 1975:25 Unique 2.48, 3.53 A)
&rst
ixpk= 1975, nxpk= 25, iat=1946,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ILE HN 74 LYS HA 5.50 (# 1976:25 Unique 4.77, 5.27 A)
&rst
ixpk= 1976, nxpk= 25, iat=1134,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1977 74 LYS HA 5.50 (# 1977:25 Single Ambig)
&rst
ixpk= 1977, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1197, 819,1918,
&end
#
# 54 PHE HB+ 74 LYS HA 5.50 (# 1978:25 Unique 6.27, 8.72 A)
&rst
ixpk= 1978, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 821, 822,
&end
#
# 74 LYS HB+ 74 LYS HA 4.50 (# 1979:25 Unique 2.15, 2.66 A)
&rst
ixpk= 1979, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 0 AMB 25-2:1980 74 LYS HA 4.50 (# 1980:25 Single Ambig)
&rst
ixpk= 1980, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1157,1158,1938,1939,1940,
&end
#
# 0 AMB 25-2:1981 74 LYS HA 5.50 (# 1981:25 Single Ambig)
&rst
ixpk= 1981, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1140,1141,1142,1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:1982 74 LYS HA 4.50 (# 1982:25 Single Ambig)
&rst
ixpk= 1982, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1163,1164,1100,1101,1102,1104,1105,1106,
&end
#
# 0 AMB 25-2:1984 74 LYS HA 5.50 (# 1984:25 Single Ambig)
&rst
ixpk= 1984, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1955,1956,1957,1959,1960,1961,1163,1164,
&end
#
# 126 LEU MDY 74 LYS HA 4.50 (# 1986:25 Unique 2.24, 6.51 A)
&rst
ixpk= 1986, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1955,1956,1957,1959,1960,1961,
&end
#
# 74 LYS HN 74 LYS HB+ 5.50 (# 1988:25 Unique 2.35, 3.12 A)
&rst
ixpk= 1988, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1157,1158,
&end
#
# 74 LYS HN 74 LYS HB- 5.50 (# 1989:25 Unique 2.35, 3.12 A)
&rst
ixpk= 1989, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1157,1158,
&end
#
# 74 LYS HA 74 LYS HB+ 5.50 (# 1990:25 Unique 2.15, 2.66 A)
&rst
ixpk= 1990, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1157,1158,
&end
#
# 74 LYS HA 74 LYS HB- 5.50 (# 1991:25 Unique 2.15, 2.66 A)
&rst
ixpk= 1991, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1157,1158,
&end
#
# 73 ILE HN 0 AMB 25-1:1993 5.50 (# 1993:25 Single Ambig)
&rst
ixpk= 1993, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1166,1167,1166,1167,
&end
#
# 0 AMB 25-2:1995 0 AMB 25-1:1995 3.50 (# 1995:25 Double Ambig)
&rst
ixpk= 1995, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr1=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,2333,2334,2335,2337,2338,2339,1163,1164,
igr2=1166,1167,1166,1167,1166,1167,1166,1167,
&end
#
# 0 AMB 25-2:1996 0 AMB 25-1:1996 3.50 (# 1996:25 Double Ambig)
&rst
ixpk= 1996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1163,1164,1955,1956,1957,1959,1960,1961,
igr2=1166,1167,1166,1167,1166,1167,
&end
#
# 0 AMB 25-2:2000 0 AMB 25-1:2000 5.50 (# 2000:25 Double Ambig)
&rst
ixpk= 2000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1166,1167,1166,1167,
igr2=1163,1164,1163,1164,
&end
#
# 0 AMB 25-2:2001 74 LYS HD- 5.50 (# 2001:25 Single Ambig)
&rst
ixpk= 2001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1166,1167,1166,1167,
igr2=1163,1164,
&end
#
# 74 LYS HA 74 LYS HD+ 5.50 (# 2002:25 Unique 3.27, 4.54 A)
&rst
ixpk= 2002, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 74 LYS HA 74 LYS HD- 5.50 (# 2003:25 Unique 3.27, 4.54 A)
&rst
ixpk= 2003, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 0 AMB 25-2:2006 0 AMB 25-1:2006 4.50 (# 2006:25 Double Ambig)
&rst
ixpk= 2006, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1157,1158,2051,2052,2053,
igr2=1179,1180,1179,1180,
&end
#
# 0 AMB 25-2:2007 75 PHE HB- 5.50 (# 2007:25 Single Ambig)
&rst
ixpk= 2007, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1157,1158,2051,2052,2053,
igr2=1179,1180,
&end
#
# 75 PHE HN 75 PHE HB+ 4.50 (# 2008:25 Unique 2.20, 2.75 A)
&rst
ixpk= 2008, nxpk= 25, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 75 PHE HN 75 PHE HB- 4.50 (# 2009:25 Unique 2.20, 2.75 A)
&rst
ixpk= 2009, nxpk= 25, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 75 PHE HD 75 PHE HB+ 5.50 (# 2010:25 Unique 2.32, 3.10 A)
&rst
ixpk= 2010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1183,1191,
igr2=1179,1180,
&end
#
# 75 PHE HD 75 PHE HB- 5.50 (# 2011:25 Unique 2.32, 3.10 A)
&rst
ixpk= 2011, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1183,1191,
igr2=1179,1180,
&end
#
# 75 PHE HE 75 PHE HB+ 5.50 (# 2012:25 Unique 4.63, 5.10 A)
&rst
ixpk= 2012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1185,1189,
igr2=1179,1180,
&end
#
# 75 PHE HE 75 PHE HB- 5.50 (# 2013:25 Unique 4.63, 5.10 A)
&rst
ixpk= 2013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1185,1189,
igr2=1179,1180,
&end
#
# 75 PHE HA 75 PHE HB+ 4.50 (# 2014:25 Unique 2.19, 2.73 A)
&rst
ixpk= 2014, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 75 PHE HA 75 PHE HB- 3.50 (# 2015:25 Unique 2.19, 2.73 A)
&rst
ixpk= 2015, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1179,1180,
&end
#
# 77 GLN HN 0 AMB 25-1:2016 4.50 (# 2016:25 Single Ambig)
&rst
ixpk= 2016, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1199,1200,1199,1200,
&end
#
# 76 SER HN 0 AMB 25-1:2017 3.50 (# 2017:25 Single Ambig)
&rst
ixpk= 2017, nxpk= 25, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1199,1200,1199,1200,
&end
#
# 0 AMB 25-2:2019 0 AMB 25-1:2019 2.80 (# 2019:25 Double Ambig)
&rst
ixpk= 2019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1197,1918,
igr2=1199,1200,1199,1200,1199,1200,
&end
#
# 124 VAL HB 0 AMB 25-1:2020 5.50 (# 2020:25 Single Ambig)
&rst
ixpk= 2020, nxpk= 25, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1199,1200,1199,1200,
&end
#
# 0 AMB 25-2:2021 0 AMB 25-1:2021 5.50 (# 2021:25 Double Ambig)
&rst
ixpk= 2021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1114,1115,1114,1115,1114,1115,
igr2=1199,1200,1199,1200,1199,1200,
&end
#
# 125 THR MG2 0 AMB 25-1:2024 4.50 (# 2024:25 Single Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1938,1939,1940,
igr2=1199,1200,1199,1200,
&end
#
# 124 VAL MGY 0 AMB 25-1:2025 3.50 (# 2025:25 Single Ambig)
&rst
ixpk= 2025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1922,1923,1924,1926,1927,1928,
igr2=1199,1200,1199,1200,
&end
#
# 77 GLN HN 76 SER HA 4.50 (# 2027:25 Unique 2.16, 2.62 A)
&rst
ixpk= 2027, nxpk= 25, iat=1206,1197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 SER HN 76 SER HA 2.80 (# 2028:25 Unique 2.19, 2.25 A)
&rst
ixpk= 2028, nxpk= 25, iat=1195,1197, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 PHE HN 76 SER HA 5.50 (# 2029:25 Unique 4.11, 4.42 A)
&rst
ixpk= 2029, nxpk= 25, iat=1175,1197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2030 76 SER HA 2.80 (# 2030:25 Single Ambig)
&rst
ixpk= 2030, nxpk= 25, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1112,1199,1200,1199,1200,
&end
#
# 0 AMB 25-2:2031 76 SER HA 5.50 (# 2031:25 Single Ambig)
&rst
ixpk= 2031, nxpk= 25, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1213,1214,1213,1214,1920,
&end
#
# 0 AMB 25-2:2032 0 AMB 25-1:2032 4.50 (# 2032:25 Double Ambig)
&rst
ixpk= 2032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=2557,2558,2559,2561,2562,2563,1140,1141,1142,1922,
1923,1924,1926,1927,1928, 356, 357, 358, 360, 361,
362,
igr2=2527,1197,
&end
#
# 77 GLN HN 77 GLN HA 2.80 (# 2033:25 Unique 2.74, 2.82 A)
&rst
ixpk= 2033, nxpk= 25, iat=1206,1208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 MET HN 140 ARG HA 2.80 (# 2034:25 Unique 2.28, 2.37 A)
&rst
ixpk= 2034, nxpk= 25, iat=2164,2142, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:2036 0 AMB 25-1:2036 2.80 (# 2036:25 Double Ambig)
&rst
ixpk= 2036, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1223,2140,
igr2=1208,2142,
&end
#
# 136 ALA HA 140 ARG HA 5.50 (# 2038:25 Unique 5.44, 5.52 A)
&rst
ixpk= 2038, nxpk= 25, iat=2094,2142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2040 77 GLN HA 2.80 (# 2040:25 Single Ambig)
&rst
ixpk= 2040, nxpk= 25, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1213,1214,1213,1214,
&end
#
# 77 GLN HB+ 77 GLN HA 2.80 (# 2041:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2041, nxpk= 25, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1210,1211,
&end
#
# 140 ARG HB+ 140 ARG HA 2.80 (# 2042:25 Unique 2.31, 2.78 A)
&rst
ixpk= 2042, nxpk= 25, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2144,2145,
&end
#
# 140 ARG HB- 140 ARG HA 2.80 (# 2043:25 Unique 2.31, 2.78 A)
&rst
ixpk= 2043, nxpk= 25, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2144,2145,
&end
#
# 140 ARG HG- 140 ARG HA 3.50 (# 2044:25 Unique 2.39, 2.86 A)
&rst
ixpk= 2044, nxpk= 25, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2147,2148,
&end
#
# 0 AMB 25-2:2045 77 GLN HA 4.50 (# 2045:25 Single Ambig)
&rst
ixpk= 2045, nxpk= 25, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,1922,1923,1924,1926,1927,1928,
&end
#
# 140 ARG HD- 140 ARG HA 5.50 (# 2046:25 Unique 2.33, 4.51 A)
&rst
ixpk= 2046, nxpk= 25, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2150,2151,
&end
#
# 77 GLN HN 77 GLN HB+ 2.80 (# 2047:25 Unique 2.11, 2.69 A)
&rst
ixpk= 2047, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1210,1211,
&end
#
# 77 GLN HN 77 GLN HB- 4.50 (# 2048:25 Unique 2.11, 2.69 A)
&rst
ixpk= 2048, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 0 AMB 25-2:2049 0 AMB 25-1:2049 5.50 (# 2049:25 Double Ambig)
&rst
ixpk= 2049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1239,2417,
igr2=1210,1211,2391,2392,
&end
#
# 79 ASP HN 77 GLN HB- 5.50 (# 2050:25 Unique 3.48, 5.14 A)
&rst
ixpk= 2050, nxpk= 25, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 78 VAL HN 77 GLN HB+ 4.50 (# 2051:25 Unique 2.17, 3.65 A)
&rst
ixpk= 2051, nxpk= 25, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 78 VAL HN 77 GLN HB- 5.50 (# 2052:25 Unique 2.17, 3.65 A)
&rst
ixpk= 2052, nxpk= 25, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 77 GLN HA 77 GLN HB+ 3.50 (# 2053:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2053, nxpk= 25, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1210,1211,
&end
#
# 77 GLN HA 77 GLN HB- 3.50 (# 2054:25 Unique 2.22, 2.66 A)
&rst
ixpk= 2054, nxpk= 25, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1210,1211,
&end
#
# 0 AMB 25-2:2055 0 AMB 25-1:2055 2.80 (# 2055:25 Double Ambig)
&rst
ixpk= 2055, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1213,1214,1213,1214,2394,2395,2394,2395,2394,2395,
igr2=1210,1211,1210,1211,2391,2392,2391,2392,2391,2392,
&end
#
# 0 AMB 25-2:2056 77 GLN HB- 2.80 (# 2056:25 Single Ambig)
&rst
ixpk= 2056, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1213,1214,1213,1214,
igr2=1210,1211,
&end
#
# 0 AMB 25-2:2057 0 AMB 25-1:2057 5.50 (# 2057:25 Double Ambig)
&rst
ixpk= 2057, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=1994,1995,1994,1995,1994,1995, 354,
igr2=2391,2392,2391,2392,2391,2392,1210,1211,
&end
#
# 24 LEU HG 77 GLN HB- 4.50 (# 2058:25 Unique 2.44, 4.41 A)
&rst
ixpk= 2058, nxpk= 25, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 0 AMB 25-2:2059 0 AMB 25-1:2059 4.50 (# 2059:25 Double Ambig)
&rst
ixpk= 2059, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1=2352,2353,2354,2356,2357,2358,1229,1230,1231,1233,
1234,1235,1069,1070,1071,1073,1074,1075,
igr2=2391,2392,2391,2392,1210,1211,2391,2392,
&end
#
# 78 VAL MGX 77 GLN HB- 4.50 (# 2060:25 Unique 2.87, 6.64 A)
&rst
ixpk= 2060, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1229,1230,1231,1233,1234,1235,
igr2=1210,1211,
&end
#
# 0 AMB 25-2:2061 0 AMB 25-1:2061 5.50 (# 2061:25 Double Ambig)
&rst
ixpk= 2061, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,2333,2334,2335,2337,2338,2339,
igr2=1210,1211,1210,1211,2391,2392,2391,2392,
&end
#
# 0 AMB 25-2:2062 77 GLN HB- 5.50 (# 2062:25 Single Ambig)
&rst
ixpk= 2062, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
igr2=1210,1211,
&end
#
# 72 ARG HN 0 AMB 25-1:2063 5.50 (# 2063:25 Single Ambig)
&rst
ixpk= 2063, nxpk= 25, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1213,1214,1213,1214,
&end
#
# 77 GLN HN 0 AMB 25-1:2064 3.50 (# 2064:25 Single Ambig)
&rst
ixpk= 2064, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1213,1214,1213,1214,
&end
#
# 79 ASP HN 0 AMB 25-1:2065 5.50 (# 2065:25 Single Ambig)
&rst
ixpk= 2065, nxpk= 25, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1213,1214,1213,1214,
&end
#
# 78 VAL HN 0 AMB 25-1:2066 3.50 (# 2066:25 Single Ambig)
&rst
ixpk= 2066, nxpk= 25, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1213,1214,1213,1214,
&end
#
# 0 AMB 25-2:2069 0 AMB 25-1:2069 3.50 (# 2069:25 Double Ambig)
&rst
ixpk= 2069, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1218,1219,1218,1219,
igr2=1213,1214,1213,1214,
&end
#
# 77 GLN HE2- 0 AMB 25-1:2070 4.50 (# 2070:25 Single Ambig)
&rst
ixpk= 2070, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1218,1219,
igr2=1213,1214,1213,1214,
&end
#
# 77 GLN HA 0 AMB 25-1:2072 2.80 (# 2072:25 Single Ambig)
&rst
ixpk= 2072, nxpk= 25, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1213,1214,1213,1214,
&end
#
# 0 AMB 25-2:2073 0 AMB 25-1:2073 3.50 (# 2073:25 Double Ambig)
&rst
ixpk= 2073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112, 368, 369, 368, 369,
igr2=1213,1214,1213,1214,1213,1214,
&end
#
# 0 AMB 25-2:2074 0 AMB 25-1:2074 2.80 (# 2074:25 Double Ambig)
&rst
ixpk= 2074, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1210,1211,1117,1118,1117,1118,1117,1118,
igr2=1213,1214,1213,1214,1213,1214,1213,1214,
&end
#
# 0 AMB 25-2:2075 0 AMB 25-1:2075 4.50 (# 2075:25 Double Ambig)
&rst
ixpk= 2075, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
igr2=1213,1214,1213,1214,1213,1214,
&end
#
# 0 AMB 25-2:2076 0 AMB 25-1:2076 3.50 (# 2076:25 Double Ambig)
&rst
ixpk= 2076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235, 356, 357, 358, 360, 361, 362,
igr2=1213,1214,1213,1214,1213,1214,1213,1214,
&end
#
# 79 ASP HN 78 VAL HA 3.50 (# 2077:25 Unique 3.52, 3.57 A)
&rst
ixpk= 2077, nxpk= 25, iat=1239,1225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 VAL HN 78 VAL HA 3.50 (# 2078:25 Unique 2.61, 2.71 A)
&rst
ixpk= 2078, nxpk= 25, iat=1223,1225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 VAL HB 78 VAL HA 3.50 (# 2080:25 Unique 2.56, 2.91 A)
&rst
ixpk= 2080, nxpk= 25, iat=1227,1225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2081 78 VAL HA 2.80 (# 2081:25 Single Ambig)
&rst
ixpk= 2081, nxpk= 25, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
&end
#
# 79 ASP HN 78 VAL HB 3.50 (# 2082:25 Unique 1.92, 2.34 A)
&rst
ixpk= 2082, nxpk= 25, iat=1239,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HN 78 VAL HB 5.50 (# 2083:25 Unique 3.45, 5.38 A)
&rst
ixpk= 2083, nxpk= 25, iat=1251,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HN 78 VAL HB 3.50 (# 2084:25 Unique 2.56, 2.98 A)
&rst
ixpk= 2084, nxpk= 25, iat=1223,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 VAL HA 78 VAL HB 3.50 (# 2085:25 Unique 2.56, 2.91 A)
&rst
ixpk= 2085, nxpk= 25, iat=1225,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2086 78 VAL HB 2.80 (# 2086:25 Single Ambig)
&rst
ixpk= 2086, nxpk= 25, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1229,1230,1231,1233,1234,1235,1229,1230,1231,1233,
1234,1235,
&end
#
# 0 AMB 25-2:2087 78 VAL HB 5.50 (# 2087:25 Single Ambig)
&rst
ixpk= 2087, nxpk= 25, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 79 ASP HN 78 VAL MGY 4.50 (# 2090:25 Unique 1.74, 4.13 A)
&rst
ixpk= 2090, nxpk= 25, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 0 AMB 25-2:2091 166 VAL MGY 4.50 (# 2091:25 Single Ambig)
&rst
ixpk= 2091, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2515,2505,
igr2=2557,2558,2559,2561,2562,2563,
&end
#
# 78 VAL HN 78 VAL MGY 4.50 (# 2092:25 Unique 1.83, 3.54 A)
&rst
ixpk= 2092, nxpk= 25, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 77 GLN HE2+ 78 VAL MGY 4.50 (# 2093:25 Unique 2.72, 6.30 A)
&rst
ixpk= 2093, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1218,1219,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 0 AMB 25-2:2097 0 AMB 25-1:2097 3.50 (# 2097:25 Double Ambig)
&rst
ixpk= 2097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1225,2553,
igr2=1229,1230,1231,1233,1234,1235,2557,2558,2559,2561,
2562,2563,
&end
#
# 0 AMB 25-2:2099 78 VAL MGY 4.50 (# 2099:25 Single Ambig)
&rst
ixpk= 2099, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1243,1244, 377, 378,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 79 ASP HN 78 VAL MGX 4.50 (# 2100:25 Unique 1.74, 4.13 A)
&rst
ixpk= 2100, nxpk= 25, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 78 VAL HN 78 VAL MGX 3.50 (# 2101:25 Unique 1.83, 3.54 A)
&rst
ixpk= 2101, nxpk= 25, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 79 ASP HA 78 VAL MGX 5.50 (# 2103:25 Unique 4.49, 6.28 A)
&rst
ixpk= 2103, nxpk= 25, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 77 GLN HA 78 VAL MGX 4.50 (# 2104:25 Unique 3.56, 5.52 A)
&rst
ixpk= 2104, nxpk= 25, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 0 AMB 25-2:2105 78 VAL MGX 3.50 (# 2105:25 Single Ambig)
&rst
ixpk= 2105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 368, 369,1253,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 78 VAL HA 78 VAL MGX 2.80 (# 2106:25 Unique 2.32, 3.25 A)
&rst
ixpk= 2106, nxpk= 25, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 0 AMB 25-2:2107 78 VAL MGX 5.50 (# 2107:25 Single Ambig)
&rst
ixpk= 2107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1243,1244, 377, 378,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 79 ASP HB- 78 VAL MGX 5.50 (# 2108:25 Unique 2.69, 5.62 A)
&rst
ixpk= 2108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1243,1244,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 0 AMB 25-2:2109 78 VAL MGX 4.50 (# 2109:25 Single Ambig)
&rst
ixpk= 2109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1213,1214,1213,1214,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 78 VAL HB 78 VAL MGX 2.80 (# 2110:25 Unique 2.33, 2.66 A)
&rst
ixpk= 2110, nxpk= 25, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1229,1230,1231,1233,1234,1235,
&end
#
# 155 GLU HN 151 LEU HA 4.50 (# 2113:25 Unique 2.09, 3.62 A)
&rst
ixpk= 2113, nxpk= 25, iat=2402,2345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2119 151 LEU HA 3.50 (# 2119:25 Single Ambig)
&rst
ixpk= 2119, nxpk= 25, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2347,2348,2347,2348,
&end
#
# 0 AMB 25-2:2121 151 LEU HA 5.50 (# 2121:25 Single Ambig)
&rst
ixpk= 2121, nxpk= 25, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2331,2448,2449,
&end
#
# 0 AMB 25-2:2122 151 LEU HA 3.50 (# 2122:25 Single Ambig)
&rst
ixpk= 2122, nxpk= 25, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2352,2353,2354,2356,2357,2358,2352,2353,2354,2356,
2357,2358,1463,1464,1465,1467,1468,1469,
&end
#
# 141 MET HN 140 ARG HB+ 4.50 (# 2123:25 Unique 2.38, 3.17 A)
&rst
ixpk= 2123, nxpk= 25, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2144,2145,
&end
#
# 140 ARG HN 140 ARG HB+ 4.50 (# 2124:25 Unique 2.10, 3.09 A)
&rst
ixpk= 2124, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2144,2145,
&end
#
# 140 ARG HA 140 ARG HB+ 3.50 (# 2125:25 Unique 2.31, 2.78 A)
&rst
ixpk= 2125, nxpk= 25, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2144,2145,
&end
#
# 140 ARG HD+ 140 ARG HB+ 4.50 (# 2126:25 Unique 2.31, 2.99 A)
&rst
ixpk= 2126, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2150,2151,
igr2=2144,2145,
&end
#
# 140 ARG HD- 140 ARG HB+ 4.50 (# 2127:25 Unique 2.31, 2.99 A)
&rst
ixpk= 2127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2150,2151,
igr2=2144,2145,
&end
#
# 0 AMB 25-2:2129 0 AMB 25-1:2129 3.50 (# 2129:25 Double Ambig)
&rst
ixpk= 2129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2106,2107,2147,2148,
igr2=2144,2145,2144,2145,
&end
#
# 83 ASN HN 82 TYR HA 3.50 (# 2130:25 Unique 2.62, 2.85 A)
&rst
ixpk= 2130, nxpk= 25, iat=1300,1281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ASN HN 0 AMB 25-1:2131 4.50 (# 2131:25 Single Ambig)
&rst
ixpk= 2131, nxpk= 25, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1316,1281,
&end
#
# 84 ASP HN 84 ASP HA 5.50 (# 2132:25 Unique 2.19, 2.80 A)
&rst
ixpk= 2132, nxpk= 25, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 TYR HN 82 TYR HA 5.50 (# 2133:25 Unique 2.25, 2.83 A)
&rst
ixpk= 2133, nxpk= 25, iat=1279,1281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2134 0 AMB 25-1:2134 5.50 (# 2134:25 Double Ambig)
&rst
ixpk= 2134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1340,1309,1310,1309,1310,
igr2=1316,1281,
&end
#
# 82 TYR HD 82 TYR HA 5.50 (# 2135:25 Unique 2.18, 3.99 A)
&rst
ixpk= 2135, nxpk= 25, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1287,1296,
&end
#
# 82 TYR HE 82 TYR HA 5.50 (# 2136:25 Unique 4.51, 6.06 A)
&rst
ixpk= 2136, nxpk= 25, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1289,1294,
&end
#
# 42 TYR HB+ 82 TYR HA 5.50 (# 2139:25 Unique 2.55, 5.13 A)
&rst
ixpk= 2139, nxpk= 25, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 636, 637,
&end
#
# 0 AMB 25-2:2141 0 AMB 25-1:2141 2.80 (# 2141:25 Double Ambig)
&rst
ixpk= 2141, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1318,1319,1330,1331,
igr2=1316,1281,
&end
#
# 0 AMB 25-2:2142 0 AMB 25-1:2142 2.80 (# 2142:25 Double Ambig)
&rst
ixpk= 2142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1318,1319,1283,1284,1283,1284,
igr2=1316,1281,
&end
#
# 0 AMB 25-2:2143 0 AMB 25-1:2143 5.50 (# 2143:25 Double Ambig)
&rst
ixpk= 2143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 636, 637,1271,1272,
igr2=1281,1316,
&end
#
# 86 THR MG2 84 ASP HA 4.50 (# 2144:25 Unique 3.00, 5.59 A)
&rst
ixpk= 2144, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1346,1347,1348,
&end
#
# 0 AMB 25-2:2145 82 TYR HA 5.50 (# 2145:25 Single Ambig)
&rst
ixpk= 2145, nxpk= 25, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1585,1586,1587,1589,1590,1591,1585,1586,1587,1589,
1590,1591,
&end
#
# 83 ASN HN 82 TYR HB- 5.50 (# 2146:25 Unique 4.06, 4.45 A)
&rst
ixpk= 2146, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1283,1284,
&end
#
# 82 TYR HN 82 TYR HB- 4.50 (# 2147:25 Unique 2.30, 3.09 A)
&rst
ixpk= 2147, nxpk= 25, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1283,1284,
&end
#
# 82 TYR HN 82 TYR HB+ 5.50 (# 2148:25 Unique 2.30, 3.09 A)
&rst
ixpk= 2148, nxpk= 25, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1283,1284,
&end
#
# 82 TYR HD 82 TYR HB+ 4.50 (# 2149:25 Unique 2.36, 3.09 A)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1287,1296,
igr2=1283,1284,
&end
#
# 82 TYR HD 82 TYR HB- 4.50 (# 2150:25 Unique 2.36, 3.09 A)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1287,1296,
igr2=1283,1284,
&end
#
# 82 TYR HE 82 TYR HB+ 4.50 (# 2151:25 Unique 4.68, 5.10 A)
&rst
ixpk= 2151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1289,1294,
igr2=1283,1284,
&end
#
# 82 TYR HE 82 TYR HB- 4.50 (# 2152:25 Unique 4.68, 5.10 A)
&rst
ixpk= 2152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1289,1294,
igr2=1283,1284,
&end
#
# 0 AMB 25-2:2153 0 AMB 25-1:2153 4.50 (# 2153:25 Double Ambig)
&rst
ixpk= 2153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1281, 655,
igr2=1283,1284,1283,1284,
&end
#
# 0 AMB 25-2:2154 82 TYR HB- 4.50 (# 2154:25 Single Ambig)
&rst
ixpk= 2154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1281, 655,
igr2=1283,1284,
&end
#
# 83 ASN HN 83 ASN HB+ 5.50 (# 2155:25 Unique 2.66, 3.34 A)
&rst
ixpk= 2155, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1304,1305,
&end
#
# 83 ASN HN 83 ASN HB- 5.50 (# 2156:25 Unique 2.66, 3.34 A)
&rst
ixpk= 2156, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1304,1305,
&end
#
# 84 ASP HN 83 ASN HB- 5.50 (# 2157:25 Unique 2.56, 3.79 A)
&rst
ixpk= 2157, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1304,1305,
&end
#
# 84 ASP HN 83 ASN HB+ 5.50 (# 2158:25 Unique 2.56, 3.79 A)
&rst
ixpk= 2158, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1304,1305,
&end
#
# 83 ASN HD2+ 83 ASN HB+ 4.50 (# 2159:25 Unique 2.21, 3.36 A)
&rst
ixpk= 2159, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1304,1305,
&end
#
# 83 ASN HD2+ 83 ASN HB- 3.50 (# 2160:25 Unique 2.21, 3.36 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1309,1310,
igr2=1304,1305,
&end
#
# 83 ASN HD2- 83 ASN HB+ 4.50 (# 2161:25 Unique 2.21, 3.36 A)
&rst
ixpk= 2161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1304,1305,
&end
#
# 0 AMB 25-2:2162 0 AMB 25-1:2162 3.50 (# 2162:25 Double Ambig)
&rst
ixpk= 2162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1449,1450,1309,1310,
igr2=1444,1445,1304,1305,
&end
#
# 83 ASN HA 83 ASN HB+ 3.50 (# 2163:25 Unique 2.19, 2.65 A)
&rst
ixpk= 2163, nxpk= 25, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1304,1305,
&end
#
# 83 ASN HA 83 ASN HB- 2.80 (# 2165:25 Unique 2.19, 2.65 A)
&rst
ixpk= 2165, nxpk= 25, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1304,1305,
&end
#
# 84 ASP HA 84 ASP HB+ 2.80 (# 2167:25 Unique 2.24, 2.75 A)
&rst
ixpk= 2167, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1318,1319,
&end
#
# 84 ASP HA 84 ASP HB- 2.80 (# 2168:25 Unique 2.24, 2.75 A)
&rst
ixpk= 2168, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1318,1319,
&end
#
# 85 ASN HN 84 ASP HB+ 5.50 (# 2171:25 Unique 2.91, 3.97 A)
&rst
ixpk= 2171, nxpk= 25, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 84 ASP HN 84 ASP HB+ 5.50 (# 2172:25 Unique 2.32, 2.81 A)
&rst
ixpk= 2172, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 85 ASN HN 84 ASP HB- 4.50 (# 2173:25 Unique 2.91, 3.97 A)
&rst
ixpk= 2173, nxpk= 25, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1318,1319,
&end
#
# 84 ASP HN 84 ASP HB- 5.50 (# 2174:25 Unique 2.32, 2.81 A)
&rst
ixpk= 2174, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 85 ASN HN 85 ASN HB- 3.50 (# 2176:25 Unique 2.58, 3.17 A)
&rst
ixpk= 2176, nxpk= 25, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 85 ASN HN 85 ASN HB+ 3.50 (# 2177:25 Unique 2.58, 3.17 A)
&rst
ixpk= 2177, nxpk= 25, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 86 THR HN 85 ASN HB- 4.50 (# 2178:25 Unique 4.09, 4.43 A)
&rst
ixpk= 2178, nxpk= 25, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1330,1331,
&end
#
# 86 THR HN 85 ASN HB+ 4.50 (# 2179:25 Unique 4.09, 4.43 A)
&rst
ixpk= 2179, nxpk= 25, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1330,1331,
&end
#
# 85 ASN HD2+ 85 ASN HB+ 5.50 (# 2180:25 Unique 2.47, 3.53 A)
&rst
ixpk= 2180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 85 ASN HD2+ 85 ASN HB- 4.50 (# 2181:25 Unique 2.47, 3.53 A)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 85 ASN HD2- 85 ASN HB- 5.50 (# 2182:25 Unique 2.47, 3.53 A)
&rst
ixpk= 2182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 85 ASN HD2- 85 ASN HB+ 4.50 (# 2183:25 Unique 2.47, 3.53 A)
&rst
ixpk= 2183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1335,1336,
igr2=1330,1331,
&end
#
# 85 ASN HA 85 ASN HB+ 2.80 (# 2184:25 Unique 2.32, 2.82 A)
&rst
ixpk= 2184, nxpk= 25, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1330,1331,
&end
#
# 85 ASN HA 85 ASN HB- 3.50 (# 2185:25 Unique 2.32, 2.82 A)
&rst
ixpk= 2185, nxpk= 25, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1330,1331,
&end
#
# 85 ASN HN 86 THR HA 5.50 (# 2186:25 Unique 3.70, 4.10 A)
&rst
ixpk= 2186, nxpk= 25, iat=1326,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HN 86 THR HA 4.50 (# 2187:25 Unique 2.32, 3.36 A)
&rst
ixpk= 2187, nxpk= 25, iat=1354,1342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR HN 86 THR HA 4.50 (# 2188:25 Unique 2.54, 2.82 A)
&rst
ixpk= 2188, nxpk= 25, iat=1340,1342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR MG2 86 THR HA 3.50 (# 2191:25 Unique 3.58, 3.94 A)
&rst
ixpk= 2191, nxpk= 25, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1346,1347,1348,
&end
#
# 0 AMB 25-2:2192 86 THR HA 4.50 (# 2192:25 Single Ambig)
&rst
ixpk= 2192, nxpk= 25, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1585,1586,1587,1589,1590,1591,1585,1586,1587,1589,
1590,1591,1360,1361,1362,1364,1365,1366,
&end
#
# 83 ASN HN 86 THR HB 5.50 (# 2194:25 Unique 2.87, 3.72 A)
&rst
ixpk= 2194, nxpk= 25, iat=1300,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 THR HN 86 THR HB 5.50 (# 2195:25 Unique 2.18, 2.59 A)
&rst
ixpk= 2195, nxpk= 25, iat=1340,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 THR MG2 86 THR HB 2.80 (# 2197:25 Unique 2.33, 2.63 A)
&rst
ixpk= 2197, nxpk= 25, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1346,1347,1348,
&end
#
# 0 AMB 25-2:2198 86 THR HB 4.50 (# 2198:25 Single Ambig)
&rst
ixpk= 2198, nxpk= 25, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1360,1361,1362,1364,1365,1366,1585,1586,1587,1589,
1590,1591,1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:2199 86 THR HB 5.50 (# 2199:25 Single Ambig)
&rst
ixpk= 2199, nxpk= 25, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 636, 637, 657, 658,
&end
#
# 0 AMB 25-2:2200 86 THR HB 5.50 (# 2200:25 Single Ambig)
&rst
ixpk= 2200, nxpk= 25, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1304,1305, 636, 637,
&end
#
# 83 ASN HN 86 THR MG2 5.50 (# 2201:25 Unique 4.36, 5.52 A)
&rst
ixpk= 2201, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 85 ASN HN 86 THR MG2 5.50 (# 2202:25 Unique 3.17, 4.78 A)
&rst
ixpk= 2202, nxpk= 25, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 42 TYR HN 86 THR MG2 5.50 (# 2203:25 Unique 5.08, 6.08 A)
&rst
ixpk= 2203, nxpk= 25, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 87 VAL HN 86 THR MG2 4.50 (# 2205:25 Unique 1.97, 3.79 A)
&rst
ixpk= 2205, nxpk= 25, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1346,1347,1348,
&end
#
# 86 THR HN 86 THR MG2 5.50 (# 2206:25 Unique 1.78, 2.81 A)
&rst
ixpk= 2206, nxpk= 25, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1346,1347,1348,
&end
#
# 0 AMB 25-2:2207 86 THR MG2 5.50 (# 2207:25 Single Ambig)
&rst
ixpk= 2207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1335,1336, 642, 647,
igr2=1346,1347,1348,
&end
#
# 82 TYR HD 86 THR MG2 4.50 (# 2209:25 Unique 6.19, 8.75 A)
&rst
ixpk= 2209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1287,1296,
igr2=1346,1347,1348,
&end
#
# 85 ASN HA 86 THR MG2 4.50 (# 2212:25 Unique 3.40, 5.03 A)
&rst
ixpk= 2212, nxpk= 25, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1346,1347,1348,
&end
#
# 0 AMB 25-2:2213 86 THR MG2 5.50 (# 2213:25 Single Ambig)
&rst
ixpk= 2213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1269, 627, 628,
igr2=1346,1347,1348,
&end
#
# 0 AMB 25-2:2214 86 THR MG2 4.50 (# 2214:25 Single Ambig)
&rst
ixpk= 2214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1316,1356,
igr2=1346,1347,1348,
&end
#
# 0 AMB 25-2:2216 86 THR MG2 2.80 (# 2216:25 Single Ambig)
&rst
ixpk= 2216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1625,1626,1342,
igr2=1346,1347,1348,
&end
#
# 86 THR HB 86 THR MG2 2.80 (# 2217:25 Unique 2.33, 2.63 A)
&rst
ixpk= 2217, nxpk= 25, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1346,1347,1348,
&end
#
# 83 ASN HB+ 86 THR MG2 4.50 (# 2218:25 Unique 2.45, 5.77 A)
&rst
ixpk= 2218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1304,1305,
igr2=1346,1347,1348,
&end
#
# 0 AMB 25-2:2219 86 THR MG2 5.50 (# 2219:25 Single Ambig)
&rst
ixpk= 2219, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1318,1319,1283,1284,1283,1284,
igr2=1346,1347,1348,
&end
#
# 0 AMB 25-2:2220 86 THR MG2 4.50 (# 2220:25 Single Ambig)
&rst
ixpk= 2220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1271,1272,1271,1272,
igr2=1346,1347,1348,
&end
#
# 87 VAL MGX 86 THR MG2 5.50 (# 2222:25 Unique 2.18, 5.54 A)
&rst
ixpk= 2222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1360,1361,1362,1364,1365,1366,
igr2=1346,1347,1348,
&end
#
# 88 VAL HN 87 VAL HA 4.50 (# 2224:25 Unique 2.09, 2.27 A)
&rst
ixpk= 2224, nxpk= 25, iat=1370,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 VAL HN 87 VAL HA 4.50 (# 2225:25 Unique 2.19, 2.86 A)
&rst
ixpk= 2225, nxpk= 25, iat=1354,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLY HA- 87 VAL HA 5.50 (# 2226:25 Unique 2.07, 3.46 A)
&rst
ixpk= 2226, nxpk= 25, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 627, 628,
&end
#
# 87 VAL HB 87 VAL HA 4.50 (# 2227:25 Unique 2.35, 2.87 A)
&rst
ixpk= 2227, nxpk= 25, iat=1358,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 VAL MGX 87 VAL HA 2.80 (# 2230:25 Unique 2.36, 3.27 A)
&rst
ixpk= 2230, nxpk= 25, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 0 AMB 25-2:2231 87 VAL HA 2.80 (# 2231:25 Single Ambig)
&rst
ixpk= 2231, nxpk= 25, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1360,1361,1362,1364,1365,1366,1376,1377,1378,1380,
1381,1382,
&end
#
# 88 VAL HN 87 VAL HB 4.50 (# 2232:25 Unique 2.69, 3.68 A)
&rst
ixpk= 2232, nxpk= 25, iat=1370,1358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 VAL HN 87 VAL HB 5.50 (# 2233:25 Unique 3.75, 4.94 A)
&rst
ixpk= 2233, nxpk= 25, iat=1595,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HN 87 VAL HB 4.50 (# 2234:25 Unique 2.47, 3.03 A)
&rst
ixpk= 2234, nxpk= 25, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2235 87 VAL HB 5.50 (# 2235:25 Single Ambig)
&rst
ixpk= 2235, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1613,1328,
&end
#
# 41 GLY HA+ 87 VAL HB 5.50 (# 2236:25 Unique 3.62, 5.78 A)
&rst
ixpk= 2236, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 627, 628,
&end
#
# 87 VAL HA 87 VAL HB 4.50 (# 2237:25 Unique 2.35, 2.87 A)
&rst
ixpk= 2237, nxpk= 25, iat=1356,1358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 GLY HA+ 87 VAL HB 4.50 (# 2238:25 Unique 2.28, 3.91 A)
&rst
ixpk= 2238, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1625,1626,
&end
#
# 87 VAL MGX 87 VAL HB 2.80 (# 2240:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2240, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1360,1361,1362,1364,1365,1366,
&end
#
# 0 AMB 25-2:2241 87 VAL HB 3.50 (# 2241:25 Single Ambig)
&rst
ixpk= 2241, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1360,1361,1362,1364,1365,1366, 588, 589, 590,
&end
#
# 102 VAL MGX 87 VAL HB 2.80 (# 2242:25 Unique 2.28, 5.57 A)
&rst
ixpk= 2242, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 40 ARG HN 88 VAL HB 5.50 (# 2243:25 Unique 2.96, 3.42 A)
&rst
ixpk= 2243, nxpk= 25, iat= 601,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2244 88 VAL HB 5.50 (# 2244:25 Single Ambig)
&rst
ixpk= 2244, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1386,1560,
&end
#
# 88 VAL HN 88 VAL HB 3.50 (# 2245:25 Unique 2.39, 2.66 A)
&rst
ixpk= 2245, nxpk= 25, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 VAL HA 88 VAL HB 4.50 (# 2246:25 Unique 2.27, 2.98 A)
&rst
ixpk= 2246, nxpk= 25, iat=1372,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2248 88 VAL HB 5.50 (# 2248:25 Single Ambig)
&rst
ixpk= 2248, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1564, 592, 593, 592, 593,
&end
#
# 88 VAL MGY 88 VAL HB 2.80 (# 2249:25 Unique 2.33, 2.65 A)
&rst
ixpk= 2249, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2250 88 VAL HB 2.80 (# 2250:25 Single Ambig)
&rst
ixpk= 2250, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1376,1377,1378,1380,1381,1382,1057,1058,1059,
&end
#
# 0 AMB 25-2:2251 88 VAL MGY 5.50 (# 2251:25 Single Ambig)
&rst
ixpk= 2251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1560,1386,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 88 VAL HN 88 VAL MGY 2.80 (# 2252:25 Unique 2.09, 4.04 A)
&rst
ixpk= 2252, nxpk= 25, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2253 88 VAL MGY 5.50 (# 2253:25 Single Ambig)
&rst
ixpk= 2253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 677, 678, 653,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 85 ASN HD2- 88 VAL MGY 5.50 (# 2254:25 Unique 4.42, 8.99 A)
&rst
ixpk= 2254, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1335,1336,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2255 88 VAL MGY 4.50 (# 2255:25 Single Ambig)
&rst
ixpk= 2255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 640, 649, 677, 678,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 101 VAL HA 88 VAL MGY 4.50 (# 2257:25 Unique 2.18, 4.27 A)
&rst
ixpk= 2257, nxpk= 25, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 88 VAL HA 88 VAL MGY 2.80 (# 2258:25 Unique 2.47, 3.24 A)
&rst
ixpk= 2258, nxpk= 25, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 42 TYR HB+ 88 VAL MGY 5.50 (# 2259:25 Unique 2.30, 7.00 A)
&rst
ixpk= 2259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 636, 637,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 42 TYR HB- 88 VAL MGY 5.50 (# 2260:25 Unique 2.30, 7.00 A)
&rst
ixpk= 2260, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 636, 637,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 40 ARG HN 88 VAL MGX 5.50 (# 2262:25 Unique 2.71, 5.29 A)
&rst
ixpk= 2262, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2263 88 VAL MGX 4.50 (# 2263:25 Single Ambig)
&rst
ixpk= 2263, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1405,1553,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2264 88 VAL MGX 3.50 (# 2264:25 Single Ambig)
&rst
ixpk= 2264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1560,1386,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 88 VAL HN 88 VAL MGX 5.50 (# 2266:25 Unique 2.09, 4.04 A)
&rst
ixpk= 2266, nxpk= 25, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 99 GLY HA+ 88 VAL MGX 4.50 (# 2267:25 Unique 2.57, 5.39 A)
&rst
ixpk= 2267, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1555,1556,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 88 VAL HA 88 VAL MGX 3.50 (# 2268:25 Unique 2.47, 3.24 A)
&rst
ixpk= 2268, nxpk= 25, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2269 88 VAL MGX 5.50 (# 2269:25 Single Ambig)
&rst
ixpk= 2269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 655,1356,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2270 88 VAL MGX 5.50 (# 2270:25 Single Ambig)
&rst
ixpk= 2270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1407,1342,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2271 88 VAL MGX 4.50 (# 2271:25 Single Ambig)
&rst
ixpk= 2271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1555,1556,1330,1331,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 88 VAL HB 88 VAL MGX 2.80 (# 2274:25 Unique 2.33, 2.65 A)
&rst
ixpk= 2274, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2275 88 VAL MGX 4.50 (# 2275:25 Single Ambig)
&rst
ixpk= 2275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 592, 593, 592, 593,1564,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2276 88 VAL MGX 5.50 (# 2276:25 Single Ambig)
&rst
ixpk= 2276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1054,1055,1054,1055,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 45 VAL MGX 88 VAL MGX 5.50 (# 2277:25 Unique 2.47, 6.80 A)
&rst
ixpk= 2277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 688, 689, 690, 692, 693, 694,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 89 ILE HA 88 VAL MGX 5.50 (# 2278:25 Unique 3.52, 5.86 A)
&rst
ixpk= 2278, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2279 89 ILE HB 3.50 (# 2279:25 Single Ambig)
&rst
ixpk= 2279, nxpk= 25, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1386,1560,
&end
#
# 89 ILE HA 89 ILE HB 5.50 (# 2282:25 Unique 3.03, 3.05 A)
&rst
ixpk= 2282, nxpk= 25, iat=1388,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2283 89 ILE HB 2.80 (# 2283:25 Single Ambig)
&rst
ixpk= 2283, nxpk= 25, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1392,1393,1394,1430,1431,1432,1434,1435,1436,1430,
1431,1432,1434,1435,1436,
&end
#
# 89 ILE QD1 89 ILE HB 3.50 (# 2284:25 Unique 2.47, 3.17 A)
&rst
ixpk= 2284, nxpk= 25, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1399,1400,1401,
&end
#
# 100 ILE QD1 89 ILE HB 4.50 (# 2285:25 Unique 2.98, 4.13 A)
&rst
ixpk= 2285, nxpk= 25, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1573,1574,1575,
&end
#
# 0 AMB 25-2:2286 89 ILE QG2 5.50 (# 2286:25 Single Ambig)
&rst
ixpk= 2286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 550,1421,
igr2=1392,1393,1394,
&end
#
# 90 VAL HN 89 ILE QG2 4.50 (# 2287:25 Unique 2.47, 3.62 A)
&rst
ixpk= 2287, nxpk= 25, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1392,1393,1394,
&end
#
# 0 AMB 25-2:2288 89 ILE QG2 5.50 (# 2288:25 Single Ambig)
&rst
ixpk= 2288, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1386,1560,
igr2=1392,1393,1394,
&end
#
# 0 AMB 25-2:2289 89 ILE QG2 5.50 (# 2289:25 Single Ambig)
&rst
ixpk= 2289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 582,1630,
igr2=1392,1393,1394,
&end
#
# 38 GLU HN 89 ILE QG2 5.50 (# 2290:25 Unique 4.43, 5.29 A)
&rst
ixpk= 2290, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 91 LEU HA 89 ILE QG2 5.50 (# 2291:25 Unique 3.74, 5.11 A)
&rst
ixpk= 2291, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 39 ILE HA 89 ILE QG2 5.50 (# 2292:25 Unique 4.00, 5.09 A)
&rst
ixpk= 2292, nxpk= 25, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 89 ILE HA 89 ILE QG2 3.50 (# 2294:25 Unique 2.49, 3.09 A)
&rst
ixpk= 2294, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1392,1393,1394,
&end
#
# 36 VAL HA 89 ILE QG2 5.50 (# 2295:25 Unique 3.54, 4.34 A)
&rst
ixpk= 2295, nxpk= 25, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 36 VAL HB 89 ILE QG2 5.50 (# 2296:25 Unique 5.01, 5.68 A)
&rst
ixpk= 2296, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 91 LEU HG 89 ILE QG2 4.50 (# 2297:25 Unique 2.33, 4.02 A)
&rst
ixpk= 2297, nxpk= 25, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1392,1393,1394,
&end
#
# 89 ILE HB 89 ILE QG2 2.80 (# 2298:25 Unique 2.42, 2.67 A)
&rst
ixpk= 2298, nxpk= 25, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1392,1393,1394,
&end
#
# 0 AMB 25-2:2299 89 ILE QG2 2.80 (# 2299:25 Single Ambig)
&rst
ixpk= 2299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 592, 593, 592, 593,
igr2=1392,1393,1394,
&end
#
# 89 ILE QD1 89 ILE QG2 2.80 (# 2300:25 Unique 2.22, 3.71 A)
&rst
ixpk= 2300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1399,1400,1401,
igr2=1392,1393,1394,
&end
#
# 100 ILE QD1 89 ILE QG2 4.50 (# 2301:25 Unique 3.22, 5.85 A)
&rst
ixpk= 2301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1573,1574,1575,
igr2=1392,1393,1394,
&end
#
# 90 VAL HN 89 ILE QD1 5.50 (# 2302:25 Unique 5.66, 6.42 A)
&rst
ixpk= 2302, nxpk= 25, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1399,1400,1401,
&end
#
# 0 AMB 25-2:2303 89 ILE QD1 5.50 (# 2303:25 Single Ambig)
&rst
ixpk= 2303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1386,1560, 443,
igr2=1399,1400,1401,
&end
#
# 22 PHE HD 89 ILE QD1 5.50 (# 2305:25 Unique 2.90, 4.18 A)
&rst
ixpk= 2305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 329,
igr2=1399,1400,1401,
&end
#
# 0 AMB 25-2:2307 89 ILE QD1 5.50 (# 2307:25 Single Ambig)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 315,1562,
igr2=1399,1400,1401,
&end
#
# 105 VAL HA 89 ILE QD1 5.50 (# 2308:25 Unique 3.75, 4.91 A)
&rst
ixpk= 2308, nxpk= 25, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1399,1400,1401,
&end
#
# 0 AMB 25-2:2309 89 ILE QD1 5.50 (# 2309:25 Single Ambig)
&rst
ixpk= 2309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1372, 349,
igr2=1399,1400,1401,
&end
#
# 89 ILE HA 89 ILE QD1 5.50 (# 2310:25 Unique 4.39, 4.75 A)
&rst
ixpk= 2310, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1399,1400,1401,
&end
#
# 22 PHE HB+ 89 ILE QD1 5.50 (# 2311:25 Unique 2.27, 3.63 A)
&rst
ixpk= 2311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 318,
igr2=1399,1400,1401,
&end
#
# 22 PHE HB- 89 ILE QD1 4.50 (# 2312:25 Unique 2.27, 3.63 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 317, 318,
igr2=1399,1400,1401,
&end
#
# 20 LEU HG 89 ILE QD1 3.50 (# 2313:25 Unique 3.12, 4.24 A)
&rst
ixpk= 2313, nxpk= 25, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1399,1400,1401,
&end
#
# 0 AMB 25-2:2314 89 ILE QD1 3.50 (# 2314:25 Single Ambig)
&rst
ixpk= 2314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 592, 593, 592, 593, 282, 283,
igr2=1399,1400,1401,
&end
#
# 89 ILE HG1- 89 ILE QD1 4.50 (# 2315:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1396,1397,
igr2=1399,1400,1401,
&end
#
# 0 AMB 25-2:2316 89 ILE QD1 3.50 (# 2316:25 Single Ambig)
&rst
ixpk= 2316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 287, 288, 289, 291, 292, 293, 287, 288, 289, 291,
292, 293,1636,1637,1638,1640,1641,1642,
igr2=1399,1400,1401,
&end
#
# 31 ILE QD1 89 ILE QD1 2.80 (# 2317:25 Unique 2.45, 4.06 A)
&rst
ixpk= 2317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 456, 457, 458,
igr2=1399,1400,1401,
&end
#
# 102 VAL MGY 89 ILE QD1 2.80 (# 2318:25 Unique 2.29, 4.24 A)
&rst
ixpk= 2318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1601,1602,1603,1605,1606,1607,
igr2=1399,1400,1401,
&end
#
# 91 LEU HN 90 VAL HA 3.50 (# 2319:25 Unique 2.22, 2.26 A)
&rst
ixpk= 2319, nxpk= 25, iat=1421,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 VAL HN 90 VAL HA 5.50 (# 2320:25 Unique 2.94, 2.96 A)
&rst
ixpk= 2320, nxpk= 25, iat=1405,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2321 90 VAL HA 5.50 (# 2321:25 Single Ambig)
&rst
ixpk= 2321, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1560,1386,
&end
#
# 99 GLY HA+ 90 VAL HA 4.50 (# 2322:25 Unique 2.14, 2.71 A)
&rst
ixpk= 2322, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1555,1556,
&end
#
# 99 GLY HA- 90 VAL HA 4.50 (# 2323:25 Unique 2.14, 2.71 A)
&rst
ixpk= 2323, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1555,1556,
&end
#
# 90 VAL HB 90 VAL HA 5.50 (# 2324:25 Unique 3.02, 3.04 A)
&rst
ixpk= 2324, nxpk= 25, iat=1409,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2325 90 VAL HA 5.50 (# 2325:25 Single Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 574, 575, 574, 575,
&end
#
# 0 AMB 25-2:2326 90 VAL HA 5.50 (# 2326:25 Single Ambig)
&rst
ixpk= 2326, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1428, 554, 555,1570,1571,
&end
#
# 0 AMB 25-2:2327 90 VAL HA 5.50 (# 2327:25 Single Ambig)
&rst
ixpk= 2327, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 592, 593, 592, 593,
&end
#
# 0 AMB 25-2:2328 90 VAL HA 5.50 (# 2328:25 Single Ambig)
&rst
ixpk= 2328, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1376,1377,1378,1380,1381,1382,1527,1528,1529,1531,
1532,1533,1543,1544,1545,1547,1548,1549,1543,1544,
1545,1547,1548,1549,
&end
#
# 0 AMB 25-2:2329 90 VAL HA 3.50 (# 2329:25 Single Ambig)
&rst
ixpk= 2329, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,1392,1393,1394,1527,1528,1529,1531,1532,
1533,1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2330 90 VAL HA 2.80 (# 2330:25 Single Ambig)
&rst
ixpk= 2330, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 88 VAL MGX 90 VAL HA 4.50 (# 2331:25 Unique 3.10, 6.00 A)
&rst
ixpk= 2331, nxpk= 25, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 0 AMB 25-2:2332 90 VAL HB 4.50 (# 2332:25 Single Ambig)
&rst
ixpk= 2332, nxpk= 25, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 550,1421,
&end
#
# 90 VAL HN 90 VAL HB 4.50 (# 2333:25 Unique 2.47, 2.61 A)
&rst
ixpk= 2333, nxpk= 25, iat=1405,1409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLU HN 90 VAL HB 5.50 (# 2334:25 Unique 2.07, 2.17 A)
&rst
ixpk= 2334, nxpk= 25, iat= 567,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLN HA 90 VAL HB 5.50 (# 2335:25 Unique 4.83, 4.98 A)
&rst
ixpk= 2335, nxpk= 25, iat= 552,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLN HB- 90 VAL HB 2.80 (# 2336:25 Unique 2.21, 3.19 A)
&rst
ixpk= 2336, nxpk= 25, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 554, 555,
&end
#
# 0 AMB 25-2:2337 90 VAL HB 3.50 (# 2337:25 Single Ambig)
&rst
ixpk= 2337, nxpk= 25, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 938, 939, 940, 942, 943, 944, 540, 541, 542, 544,
545, 546,1020,1021,1022,1024,1025,1026,1020,1021,
1022,1024,1025,1026,1392,1393,1394,1430,1431,1432,
1434,1435,1436,
&end
#
# 0 AMB 25-2:2338 90 VAL HB 2.80 (# 2338:25 Single Ambig)
&rst
ixpk= 2338, nxpk= 25, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
&end
#
# 38 GLU HA 90 VAL HB 5.50 (# 2339:25 Unique 4.22, 4.42 A)
&rst
ixpk= 2339, nxpk= 25, iat= 569,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2342 90 VAL MGY 3.50 (# 2342:25 Single Ambig)
&rst
ixpk= 2342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1421, 601,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 90 VAL HN 90 VAL MGY 4.50 (# 2343:25 Unique 2.11, 3.91 A)
&rst
ixpk= 2343, nxpk= 25, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2344 90 VAL MGY 5.50 (# 2344:25 Single Ambig)
&rst
ixpk= 2344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1560,1386,1014,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 98 VAL HN 90 VAL MGY 5.50 (# 2345:25 Unique 3.74, 5.96 A)
&rst
ixpk= 2345, nxpk= 25, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 37 GLN HE2+ 90 VAL MGY 4.50 (# 2346:25 Unique 2.11, 6.15 A)
&rst
ixpk= 2346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 562, 563,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 38 GLU HN 90 VAL MGY 5.50 (# 2347:25 Unique 3.79, 4.46 A)
&rst
ixpk= 2347, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 37 GLN HE2- 90 VAL MGY 5.50 (# 2348:25 Unique 2.11, 6.15 A)
&rst
ixpk= 2348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 562, 563,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 99 GLY HA+ 90 VAL MGY 5.50 (# 2349:25 Unique 2.86, 5.08 A)
&rst
ixpk= 2349, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1555,1556,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2350 90 VAL MGY 5.50 (# 2350:25 Single Ambig)
&rst
ixpk= 2350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1523,1442,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2353 90 VAL MGY 5.50 (# 2353:25 Single Ambig)
&rst
ixpk= 2353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1539, 569,1016,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2354 90 VAL MGY 5.50 (# 2354:25 Single Ambig)
&rst
ixpk= 2354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 552, 997,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 90 VAL HA 90 VAL MGY 3.50 (# 2355:25 Unique 2.38, 3.18 A)
&rst
ixpk= 2355, nxpk= 25, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 99 GLY HA- 90 VAL MGY 5.50 (# 2356:25 Unique 2.86, 5.08 A)
&rst
ixpk= 2356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1555,1556,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2357 90 VAL MGY 4.50 (# 2357:25 Single Ambig)
&rst
ixpk= 2357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 557, 558, 557, 558,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2358 90 VAL MGY 4.50 (# 2358:25 Single Ambig)
&rst
ixpk= 2358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 571, 572, 571, 572,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2359 90 VAL MGY 2.80 (# 2359:25 Single Ambig)
&rst
ixpk= 2359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1409,1018, 605, 606,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 37 GLN HB- 90 VAL MGY 3.50 (# 2360:25 Unique 2.26, 4.64 A)
&rst
ixpk= 2360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 554, 555,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2361 90 VAL MGY 5.50 (# 2361:25 Single Ambig)
&rst
ixpk= 2361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 592, 593, 592, 593,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2362 90 VAL MGX 5.50 (# 2362:25 Single Ambig)
&rst
ixpk= 2362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1421, 601,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 90 VAL HN 90 VAL MGX 3.50 (# 2363:25 Unique 2.11, 3.91 A)
&rst
ixpk= 2363, nxpk= 25, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2364 90 VAL MGX 5.50 (# 2364:25 Single Ambig)
&rst
ixpk= 2364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1560,1386,1014,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 37 GLN HE2+ 90 VAL MGX 5.50 (# 2366:25 Unique 2.11, 6.15 A)
&rst
ixpk= 2366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 562, 563,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 38 GLU HN 90 VAL MGX 5.50 (# 2367:25 Unique 3.79, 4.46 A)
&rst
ixpk= 2367, nxpk= 25, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 99 GLY HA+ 90 VAL MGX 5.50 (# 2368:25 Unique 2.86, 5.08 A)
&rst
ixpk= 2368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1555,1556,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 39 ILE HA 90 VAL MGX 4.50 (# 2369:25 Unique 2.40, 5.35 A)
&rst
ixpk= 2369, nxpk= 25, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2370 90 VAL MGX 5.50 (# 2370:25 Single Ambig)
&rst
ixpk= 2370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1539, 569,1016,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 89 ILE HA 90 VAL MGX 3.50 (# 2371:25 Unique 3.60, 5.62 A)
&rst
ixpk= 2371, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 90 VAL HA 90 VAL MGX 3.50 (# 2372:25 Unique 2.38, 3.18 A)
&rst
ixpk= 2372, nxpk= 25, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 62 ARG HD- 90 VAL MGX 5.50 (# 2373:25 Unique 4.38, 7.97 A)
&rst
ixpk= 2373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 958, 959,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 99 GLY HA- 90 VAL MGX 4.50 (# 2374:25 Unique 2.86, 5.08 A)
&rst
ixpk= 2374, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1555,1556,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2375 90 VAL MGX 5.50 (# 2375:25 Single Ambig)
&rst
ixpk= 2375, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 611, 612, 611, 612,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2376 90 VAL MGX 3.50 (# 2376:25 Single Ambig)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 571, 572, 571, 572,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2377 90 VAL MGX 2.80 (# 2377:25 Single Ambig)
&rst
ixpk= 2377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1409, 605, 606,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2378 90 VAL MGX 3.50 (# 2378:25 Single Ambig)
&rst
ixpk= 2378, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 554, 555, 933, 934,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 89 ILE HG1- 90 VAL MGX 5.50 (# 2379:25 Unique 6.13, 8.29 A)
&rst
ixpk= 2379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1396,1397,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 0 AMB 25-2:2380 91 LEU HA 3.50 (# 2380:25 Single Ambig)
&rst
ixpk= 2380, nxpk= 25, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 550,1421,
&end
#
# 90 VAL HN 91 LEU HA 5.50 (# 2381:25 Unique 4.82, 5.06 A)
&rst
ixpk= 2381, nxpk= 25, iat=1405,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HN 91 LEU HA 2.80 (# 2382:25 Unique 2.15, 2.29 A)
&rst
ixpk= 2382, nxpk= 25, iat=1440,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 VAL HA 91 LEU HA 4.50 (# 2383:25 Unique 2.35, 2.62 A)
&rst
ixpk= 2383, nxpk= 25, iat= 536,1423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 LEU HB+ 91 LEU HA 4.50 (# 2386:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2386, nxpk= 25, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1425,1426,
&end
#
# 0 AMB 25-2:2387 91 LEU HA 4.50 (# 2387:25 Single Ambig)
&rst
ixpk= 2387, nxpk= 25, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1428, 554, 555,
&end
#
# 91 LEU HB- 91 LEU HA 4.50 (# 2388:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2388, nxpk= 25, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1425,1426,
&end
#
# 0 AMB 25-2:2389 91 LEU HA 4.50 (# 2389:25 Single Ambig)
&rst
ixpk= 2389, nxpk= 25, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 540, 541, 542, 544, 545, 546,1463,1464,1465,1467,
1468,1469,1463,1464,1465,1467,1468,1469,1527,1528,
1529,1531,1532,1533,1543,1544,1545,1547,1548,1549,
1543,1544,1545,1547,1548,1549,
&end
#
# 0 AMB 25-2:2390 91 LEU HA 2.80 (# 2390:25 Single Ambig)
&rst
ixpk= 2390, nxpk= 25, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,
&end
#
# 91 LEU HN 91 LEU HB+ 4.50 (# 2391:25 Unique 2.49, 3.09 A)
&rst
ixpk= 2391, nxpk= 25, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1425,1426,
&end
#
# 91 LEU HN 91 LEU HB- 5.50 (# 2392:25 Unique 2.49, 3.09 A)
&rst
ixpk= 2392, nxpk= 25, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1425,1426,
&end
#
# 92 ASN HN 91 LEU HB+ 5.50 (# 2393:25 Unique 2.44, 3.44 A)
&rst
ixpk= 2393, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1425,1426,
&end
#
# 92 ASN HN 91 LEU HB- 5.50 (# 2394:25 Unique 2.44, 3.44 A)
&rst
ixpk= 2394, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1425,1426,
&end
#
# 91 LEU HA 91 LEU HB+ 5.50 (# 2395:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2395, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1425,1426,
&end
#
# 91 LEU HA 91 LEU HB- 4.50 (# 2396:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2396, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1425,1426,
&end
#
# 0 AMB 25-2:2397 91 LEU HB- 3.50 (# 2397:25 Single Ambig)
&rst
ixpk= 2397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1428,1570,1571,
igr2=1425,1426,
&end
#
# 0 AMB 25-2:2398 91 LEU HB- 5.50 (# 2398:25 Single Ambig)
&rst
ixpk= 2398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2278,2279, 519, 520,
igr2=1425,1426,
&end
#
# 0 AMB 25-2:2399 0 AMB 25-1:2399 4.50 (# 2399:25 Double Ambig)
&rst
ixpk= 2399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2278,2279, 519, 520,
igr2=1425,1426,1425,1426,
&end
#
# 0 AMB 25-2:2400 0 AMB 25-1:2400 2.80 (# 2400:25 Double Ambig)
&rst
ixpk= 2400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,1543,1544,1545,1547,1548,1549,1543,1544,
1545,1547,1548,1549,
igr2=1425,1426,1425,1426,1425,1426,1425,1426,
&end
#
# 0 AMB 25-2:2401 91 LEU HB- 3.50 (# 2401:25 Single Ambig)
&rst
ixpk= 2401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2=1425,1426,
&end
#
# 0 AMB 25-2:2402 0 AMB 25-1:2402 2.80 (# 2402:25 Double Ambig)
&rst
ixpk= 2402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,1392,1393,1394,
igr2=1425,1426,1425,1426,1425,1426,
&end
#
# 0 AMB 25-2:2403 91 LEU HB- 2.80 (# 2403:25 Single Ambig)
&rst
ixpk= 2403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,1392,1393,1394,
igr2=1425,1426,
&end
#
# 0 AMB 25-2:2404 91 LEU HG 4.50 (# 2404:25 Single Ambig)
&rst
ixpk= 2404, nxpk= 25, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1421, 550,
&end
#
# 98 VAL HN 91 LEU HG 5.50 (# 2405:25 Unique 5.05, 5.43 A)
&rst
ixpk= 2405, nxpk= 25, iat=1537,1428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LEU HA 91 LEU HG 5.50 (# 2406:25 Unique 2.83, 3.10 A)
&rst
ixpk= 2406, nxpk= 25, iat=1423,1428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2407 91 LEU HG 3.50 (# 2407:25 Single Ambig)
&rst
ixpk= 2407, nxpk= 25, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 456, 457, 458,1543,1544,1545,1547,1548,1549,1543,
1544,1545,1547,1548,1549, 540, 541, 542, 544, 545,
546,
&end
#
# 0 AMB 25-2:2408 91 LEU HG 3.50 (# 2408:25 Single Ambig)
&rst
ixpk= 2408, nxpk= 25, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1392,1393,1394,1430,1431,1432,1434,1435,1436,1430,
1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2409 91 LEU MDX 4.50 (# 2409:25 Single Ambig)
&rst
ixpk= 2409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 550,1421,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 92 ASN HN 91 LEU MDX 5.50 (# 2410:25 Unique 2.21, 4.93 A)
&rst
ixpk= 2410, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 98 VAL HN 91 LEU MDX 5.50 (# 2411:25 Unique 5.24, 6.73 A)
&rst
ixpk= 2411, nxpk= 25, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 35 LYS HN 91 LEU MDX 5.50 (# 2412:25 Unique 4.67, 6.84 A)
&rst
ixpk= 2412, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 36 VAL HN 91 LEU MDX 5.50 (# 2413:25 Unique 3.59, 6.08 A)
&rst
ixpk= 2413, nxpk= 25, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 91 LEU HA 91 LEU MDX 3.50 (# 2415:25 Unique 2.11, 3.91 A)
&rst
ixpk= 2415, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 90 VAL HA 91 LEU MDX 5.50 (# 2417:25 Unique 4.76, 5.97 A)
&rst
ixpk= 2417, nxpk= 25, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 147 ILE HA 91 LEU MDX 5.50 (# 2418:25 Unique 3.92, 6.30 A)
&rst
ixpk= 2418, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 36 VAL HA 91 LEU MDX 3.50 (# 2419:25 Unique 2.03, 4.45 A)
&rst
ixpk= 2419, nxpk= 25, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 35 LYS HB+ 91 LEU MDX 4.50 (# 2420:25 Unique 2.39, 4.93 A)
&rst
ixpk= 2420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 516, 517,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2421 91 LEU MDX 2.80 (# 2421:25 Single Ambig)
&rst
ixpk= 2421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1425,1426, 516, 517,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2422 91 LEU MDX 2.80 (# 2422:25 Single Ambig)
&rst
ixpk= 2422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1428,1570,1571,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2423 91 LEU MDY 4.50 (# 2423:25 Single Ambig)
&rst
ixpk= 2423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 550,1421,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2424 91 LEU MDY 5.50 (# 2424:25 Single Ambig)
&rst
ixpk= 2424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1560,1386,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 92 ASN HN 91 LEU MDY 5.50 (# 2425:25 Unique 2.21, 4.93 A)
&rst
ixpk= 2425, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 91 LEU HA 91 LEU MDY 5.50 (# 2426:25 Unique 2.11, 3.91 A)
&rst
ixpk= 2426, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2427 91 LEU MDY 5.50 (# 2427:25 Single Ambig)
&rst
ixpk= 2427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1456,1539,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2428 91 LEU MDY 2.80 (# 2428:25 Single Ambig)
&rst
ixpk= 2428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1425,1426, 516, 517,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 0 AMB 25-2:2429 91 LEU MDY 3.50 (# 2429:25 Single Ambig)
&rst
ixpk= 2429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1428,1570,1571,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 147 ILE HG1- 91 LEU MDY 2.80 (# 2430:25 Unique 2.30, 4.67 A)
&rst
ixpk= 2430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2278,2279,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 91 LEU HB- 91 LEU MDY 3.50 (# 2431:25 Unique 2.30, 3.31 A)
&rst
ixpk= 2431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1425,1426,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 100 ILE HG1+ 91 LEU MDY 3.50 (# 2432:25 Unique 2.46, 5.04 A)
&rst
ixpk= 2432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1570,1571,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 150 LEU MDY 91 LEU MDY 3.50 (# 2433:25 Unique 2.65, 7.04 A)
&rst
ixpk= 2433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2333,2334,2335,2337,2338,2339,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 100 ILE QD1 91 LEU MDY 4.50 (# 2434:25 Unique 2.39, 5.15 A)
&rst
ixpk= 2434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1573,1574,1575,
igr2=1430,1431,1432,1434,1435,1436,
&end
#
# 92 ASN HN 92 ASN HB- 3.50 (# 2435:25 Unique 2.39, 3.26 A)
&rst
ixpk= 2435, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 92 ASN HN 92 ASN HB+ 3.50 (# 2436:25 Unique 2.39, 3.26 A)
&rst
ixpk= 2436, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 93 LEU HN 92 ASN HB+ 5.50 (# 2437:25 Unique 2.75, 3.83 A)
&rst
ixpk= 2437, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1444,1445,
&end
#
# 93 LEU HN 92 ASN HB- 5.50 (# 2438:25 Unique 2.75, 3.83 A)
&rst
ixpk= 2438, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1444,1445,
&end
#
# 92 ASN HD2+ 92 ASN HB- 4.50 (# 2439:25 Unique 2.13, 3.35 A)
&rst
ixpk= 2439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1449,1450,
igr2=1444,1445,
&end
#
# 92 ASN HD2+ 92 ASN HB+ 4.50 (# 2440:25 Unique 2.13, 3.35 A)
&rst
ixpk= 2440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1449,1450,
igr2=1444,1445,
&end
#
# 92 ASN HD2- 92 ASN HB- 5.50 (# 2441:25 Unique 2.13, 3.35 A)
&rst
ixpk= 2441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1449,1450,
igr2=1444,1445,
&end
#
# 0 AMB 25-2:2442 0 AMB 25-1:2442 4.50 (# 2442:25 Double Ambig)
&rst
ixpk= 2442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1449,1450,1309,1310,
igr2=1444,1445,1304,1305,
&end
#
# 92 ASN HA 92 ASN HB- 3.50 (# 2443:25 Unique 2.24, 2.52 A)
&rst
ixpk= 2443, nxpk= 25, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 92 ASN HA 92 ASN HB+ 2.80 (# 2444:25 Unique 2.24, 2.52 A)
&rst
ixpk= 2444, nxpk= 25, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1444,1445,
&end
#
# 37 GLN HB+ 92 ASN HB+ 5.50 (# 2445:25 Unique 2.46, 5.05 A)
&rst
ixpk= 2445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 554, 555,
igr2=1444,1445,
&end
#
# 37 GLN HB+ 92 ASN HB- 5.50 (# 2446:25 Unique 2.46, 5.05 A)
&rst
ixpk= 2446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 554, 555,
igr2=1444,1445,
&end
#
# 37 GLN HB- 92 ASN HB- 5.50 (# 2447:25 Unique 2.46, 5.05 A)
&rst
ixpk= 2447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 554, 555,
igr2=1444,1445,
&end
#
# 37 GLN HB- 92 ASN HB+ 5.50 (# 2448:25 Unique 2.46, 5.05 A)
&rst
ixpk= 2448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 554, 555,
igr2=1444,1445,
&end
#
# 97 VAL MGX 92 ASN HB+ 5.50 (# 2449:25 Unique 2.24, 5.01 A)
&rst
ixpk= 2449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1527,1528,1529,1531,1532,1533,
igr2=1444,1445,
&end
#
# 97 VAL MGX 92 ASN HB- 5.50 (# 2450:25 Unique 2.24, 5.01 A)
&rst
ixpk= 2450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1527,1528,1529,1531,1532,1533,
igr2=1444,1445,
&end
#
# 97 VAL MGY 92 ASN HB- 5.50 (# 2451:25 Unique 2.24, 5.01 A)
&rst
ixpk= 2451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1527,1528,1529,1531,1532,1533,
igr2=1444,1445,
&end
#
# 97 VAL MGY 92 ASN HB+ 5.50 (# 2452:25 Unique 2.24, 5.01 A)
&rst
ixpk= 2452, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1527,1528,1529,1531,1532,1533,
igr2=1444,1445,
&end
#
# 35 LYS HA 92 ASN HB+ 5.50 (# 2453:25 Unique 2.48, 4.81 A)
&rst
ixpk= 2453, nxpk= 25, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1444,1445,
&end
#
# 0 AMB 25-2:2454 0 AMB 25-1:2454 4.50 (# 2454:25 Double Ambig)
&rst
ixpk= 2454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1454,2287,
igr2=1458,1459,1458,1459,
&end
#
# 93 LEU HN 93 LEU HB- 4.50 (# 2455:25 Unique 2.37, 3.38 A)
&rst
ixpk= 2455, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1458,1459,
&end
#
# 93 LEU HA 93 LEU HB+ 3.50 (# 2456:25 Unique 2.13, 2.63 A)
&rst
ixpk= 2456, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1458,1459,
&end
#
# 93 LEU HA 93 LEU HB- 4.50 (# 2457:25 Unique 2.13, 2.63 A)
&rst
ixpk= 2457, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1458,1459,
&end
#
# 0 AMB 25-2:2458 0 AMB 25-1:2458 2.80 (# 2458:25 Double Ambig)
&rst
ixpk= 2458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2352,2353,2354,2356,2357,2358,1463,1464,1465,1467,
1468,1469,1463,1464,1465,1467,1468,1469,1543,1544,
1545,1547,1548,1549,
igr2=1458,1459,1458,1459,1458,1459,1458,1459,
&end
#
# 0 AMB 25-2:2459 93 LEU HB- 2.80 (# 2459:25 Single Ambig)
&rst
ixpk= 2459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2352,2353,2354,2356,2357,2358,1463,1464,1465,1467,
1468,1469,1463,1464,1465,1467,1468,1469,1543,1544,
1545,1547,1548,1549,
igr2=1458,1459,
&end
#
# 0 AMB 25-2:2460 93 LEU MDX 4.50 (# 2460:25 Single Ambig)
&rst
ixpk= 2460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1454,2287,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2461 93 LEU MDX 4.50 (# 2461:25 Single Ambig)
&rst
ixpk= 2461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1456,2345,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2462 93 LEU MDX 4.50 (# 2462:25 Single Ambig)
&rst
ixpk= 2462, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2289,2270,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2463 93 LEU MDX 5.50 (# 2463:25 Single Ambig)
&rst
ixpk= 2463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1507,1508,1507,1508,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2464 93 LEU MDX 5.50 (# 2464:25 Single Ambig)
&rst
ixpk= 2464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2294,2295,2294,2295,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2465 93 LEU MDX 4.50 (# 2465:25 Single Ambig)
&rst
ixpk= 2465, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 516, 517,2291,2292,2291,2292,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2466 93 LEU MDX 2.80 (# 2466:25 Single Ambig)
&rst
ixpk= 2466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2347,2348,2347,2348,1458,1459,1458,1459,1428,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2467 93 LEU MDX 2.80 (# 2467:25 Single Ambig)
&rst
ixpk= 2467, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2278,2279,2328,2329,1504,1505,1504,1505,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 91 LEU HB- 93 LEU MDX 4.50 (# 2468:25 Unique 2.32, 4.85 A)
&rst
ixpk= 2468, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1425,1426,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2469 93 LEU MDY 5.50 (# 2469:25 Single Ambig)
&rst
ixpk= 2469, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1440,1473,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 98 VAL HN 93 LEU MDY 5.50 (# 2470:25 Unique 2.43, 5.53 A)
&rst
ixpk= 2470, nxpk= 25, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2471 93 LEU MDY 4.50 (# 2471:25 Single Ambig)
&rst
ixpk= 2471, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1454,2287,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 91 LEU HA 93 LEU MDY 5.50 (# 2472:25 Unique 4.28, 6.58 A)
&rst
ixpk= 2472, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 92 ASN HA 93 LEU MDY 5.50 (# 2473:25 Unique 2.61, 4.95 A)
&rst
ixpk= 2473, nxpk= 25, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2474 93 LEU MDY 4.50 (# 2474:25 Single Ambig)
&rst
ixpk= 2474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1456,2345,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2475 93 LEU MDY 4.50 (# 2475:25 Single Ambig)
&rst
ixpk= 2475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2289,2270,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2476 93 LEU MDY 4.50 (# 2476:25 Single Ambig)
&rst
ixpk= 2476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2294,2295,2294,2295,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2477 93 LEU MDY 4.50 (# 2477:25 Single Ambig)
&rst
ixpk= 2477, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 516, 517,2291,2292,2291,2292,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2478 93 LEU MDY 3.50 (# 2478:25 Single Ambig)
&rst
ixpk= 2478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1425,1426, 516, 517,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2479 93 LEU MDY 2.80 (# 2479:25 Single Ambig)
&rst
ixpk= 2479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2347,2348,2347,2348,1458,1459,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2480 93 LEU MDY 3.50 (# 2480:25 Single Ambig)
&rst
ixpk= 2480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2278,2279,2328,2329,1504,1505,1504,1505,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 91 LEU HB- 93 LEU MDY 3.50 (# 2481:25 Unique 2.32, 4.85 A)
&rst
ixpk= 2481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1425,1426,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 147 ILE QG2 93 LEU MDY 4.50 (# 2482:25 Unique 4.28, 7.40 A)
&rst
ixpk= 2482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2274,2275,2276,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 150 LEU MDY 93 LEU MDY 4.50 (# 2483:25 Unique 2.32, 5.63 A)
&rst
ixpk= 2483, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2333,2334,2335,2337,2338,2339,
igr2=1463,1464,1465,1467,1468,1469,
&end
#
# 0 AMB 25-2:2486 0 AMB 25-1:2486 5.50 (# 2486:25 Double Ambig)
&rst
ixpk= 2486, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2294,2295,2294,2295,1487,1488,
igr2=1475,1476,1475,1476,1475,1476,
&end
#
# 0 AMB 25-2:2487 94 GLY HA- 5.50 (# 2487:25 Single Ambig)
&rst
ixpk= 2487, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2294,2295,2294,2295,1487,1488,
igr2=1475,1476,
&end
#
# 152 ASN HD2+ 94 GLY HA+ 5.50 (# 2492:25 Unique 2.06, 5.12 A)
&rst
ixpk= 2492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2371,2372,
igr2=1475,1476,
&end
#
# 94 GLY HN 94 GLY HA+ 4.50 (# 2493:25 Unique 2.26, 2.56 A)
&rst
ixpk= 2493, nxpk= 25, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1475,1476,
&end
#
# 94 GLY HN 94 GLY HA- 3.50 (# 2494:25 Unique 2.26, 2.56 A)
&rst
ixpk= 2494, nxpk= 25, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1475,1476,
&end
#
# 95 GLN HN 94 GLY HA+ 5.50 (# 2495:25 Unique 2.21, 2.94 A)
&rst
ixpk= 2495, nxpk= 25, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1475,1476,
&end
#
# 95 GLN HN 95 GLN HB+ 5.50 (# 2496:25 Unique 2.70, 3.37 A)
&rst
ixpk= 2496, nxpk= 25, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1484,1485,
&end
#
# 95 GLN HN 95 GLN HB- 5.50 (# 2497:25 Unique 2.70, 3.37 A)
&rst
ixpk= 2497, nxpk= 25, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1484,1485,
&end
#
# 0 AMB 25-2:2498 95 GLN HB- 5.50 (# 2498:25 Single Ambig)
&rst
ixpk= 2498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1497,2371,2372,
igr2=1484,1485,
&end
#
# 95 GLN HA 95 GLN HB+ 3.50 (# 2501:25 Unique 2.42, 2.75 A)
&rst
ixpk= 2501, nxpk= 25, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1484,1485,
&end
#
# 95 GLN HA 95 GLN HB- 2.80 (# 2502:25 Unique 2.42, 2.75 A)
&rst
ixpk= 2502, nxpk= 25, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1484,1485,
&end
#
# 95 GLN HN 0 AMB 25-1:2503 5.50 (# 2503:25 Single Ambig)
&rst
ixpk= 2503, nxpk= 25, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1487,1488,1487,1488,
&end
#
# 96 ARG HN 0 AMB 25-1:2504 5.50 (# 2504:25 Single Ambig)
&rst
ixpk= 2504, nxpk= 25, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1487,1488,1487,1488,
&end
#
# 95 GLN HA 0 AMB 25-1:2506 3.50 (# 2506:25 Single Ambig)
&rst
ixpk= 2506, nxpk= 25, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1487,1488,1487,1488,
&end
#
# 95 GLN HB- 0 AMB 25-1:2507 2.80 (# 2507:25 Single Ambig)
&rst
ixpk= 2507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1484,1485,
igr2=1487,1488,1487,1488,
&end
#
# 0 AMB 25-2:2508 0 AMB 25-1:2508 5.50 (# 2508:25 Double Ambig)
&rst
ixpk= 2508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1507,1508,1507,1508,1507,1508,
igr2=1487,1488,1487,1488,1487,1488,
&end
#
# 97 VAL HN 96 ARG HA 2.80 (# 2509:25 Unique 2.48, 2.59 A)
&rst
ixpk= 2509, nxpk= 25, iat=1521,1499, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 ARG HN 96 ARG HA 4.50 (# 2510:25 Unique 2.87, 2.91 A)
&rst
ixpk= 2510, nxpk= 25, iat=1497,1499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2514 96 ARG HA 5.50 (# 2514:25 Single Ambig)
&rst
ixpk= 2514, nxpk= 25, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1507,1508,1507,1508,
&end
#
# 0 AMB 25-2:2516 96 ARG HA 2.80 (# 2516:25 Single Ambig)
&rst
ixpk= 2516, nxpk= 25, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1501,1502,1501,1502,
&end
#
# 0 AMB 25-2:2517 96 ARG HA 3.50 (# 2517:25 Single Ambig)
&rst
ixpk= 2517, nxpk= 25, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1504,1505,1504,1505,
&end
#
# 97 VAL MGX 96 ARG HA 4.50 (# 2518:25 Unique 3.05, 4.79 A)
&rst
ixpk= 2518, nxpk= 25, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1527,1528,1529,1531,1532,1533,
&end
#
# 97 VAL HN 0 AMB 25-1:2522 2.80 (# 2522:25 Single Ambig)
&rst
ixpk= 2522, nxpk= 25, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1501,1502,1501,1502,
&end
#
# 96 ARG HN 0 AMB 25-1:2523 4.50 (# 2523:25 Single Ambig)
&rst
ixpk= 2523, nxpk= 25, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1501,1502,1501,1502,
&end
#
# 96 ARG HA 0 AMB 25-1:2525 2.80 (# 2525:25 Single Ambig)
&rst
ixpk= 2525, nxpk= 25, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1501,1502,1501,1502,
&end
#
# 67 PRO HD- 0 AMB 25-1:2526 5.50 (# 2526:25 Single Ambig)
&rst
ixpk= 2526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1031,1032,
igr2=1501,1502,1501,1502,
&end
#
# 0 AMB 25-2:2527 0 AMB 25-1:2527 3.50 (# 2527:25 Double Ambig)
&rst
ixpk= 2527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1507,1508,1507,1508,1507,1508,
igr2=1501,1502,1501,1502,1501,1502,
&end
#
# 93 LEU HN 0 AMB 25-1:2528 3.50 (# 2528:25 Single Ambig)
&rst
ixpk= 2528, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1504,1505,1504,1505,
&end
#
# 97 VAL HN 0 AMB 25-1:2529 5.50 (# 2529:25 Single Ambig)
&rst
ixpk= 2529, nxpk= 25, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1504,1505,1504,1505,
&end
#
# 96 ARG HN 0 AMB 25-1:2530 5.50 (# 2530:25 Single Ambig)
&rst
ixpk= 2530, nxpk= 25, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1504,1505,1504,1505,
&end
#
# 0 AMB 25-2:2531 0 AMB 25-1:2531 4.50 (# 2531:25 Double Ambig)
&rst
ixpk= 2531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1523,1442,
igr2=1504,1505,1504,1505,1504,1505,
&end
#
# 152 ASN HA 0 AMB 25-1:2532 4.50 (# 2532:25 Single Ambig)
&rst
ixpk= 2532, nxpk= 25, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1504,1505,1504,1505,
&end
#
# 96 ARG HA 0 AMB 25-1:2533 3.50 (# 2533:25 Single Ambig)
&rst
ixpk= 2533, nxpk= 25, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1504,1505,1504,1505,
&end
#
# 0 AMB 25-2:2534 0 AMB 25-1:2534 4.50 (# 2534:25 Double Ambig)
&rst
ixpk= 2534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1482,2304,
igr2=1504,1505,1504,1505,1504,1505,
&end
#
# 0 AMB 25-2:2535 0 AMB 25-1:2535 2.80 (# 2535:25 Double Ambig)
&rst
ixpk= 2535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1507,1508,1507,1508,1507,1508,
igr2=1504,1505,1504,1505,1504,1505,
&end
#
# 0 AMB 25-2:2537 0 AMB 25-1:2537 3.50 (# 2537:25 Double Ambig)
&rst
ixpk= 2537, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=2352,2353,2354,2356,2357,2358,1463,1464,1465,1467,
1468,1469,1463,1464,1465,1467,1468,1469,
igr2=1504,1505,1504,1505,1504,1505,1504,1505,
&end
#
# 0 AMB 25-2:2538 0 AMB 25-1:2538 3.50 (# 2538:25 Double Ambig)
&rst
ixpk= 2538, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2347,2348,2347,2348,2347,2348,1458,1459,
igr2=1507,1508,1507,1508,1507,1508,1507,1508,
&end
#
# 95 GLN HB- 0 AMB 25-1:2539 4.50 (# 2539:25 Single Ambig)
&rst
ixpk= 2539, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1484,1485,
igr2=1507,1508,1507,1508,
&end
#
# 0 AMB 25-2:2541 0 AMB 25-1:2541 5.50 (# 2541:25 Double Ambig)
&rst
ixpk= 2541, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1482,2304,
igr2=1507,1508,1507,1508,1507,1508,
&end
#
# 96 ARG HA 0 AMB 25-1:2543 4.50 (# 2543:25 Single Ambig)
&rst
ixpk= 2543, nxpk= 25, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1507,1508,1507,1508,
&end
#
# 94 GLY HA- 0 AMB 25-1:2544 4.50 (# 2544:25 Single Ambig)
&rst
ixpk= 2544, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1475,1476,
igr2=1507,1508,1507,1508,
&end
#
# 155 GLU HN 0 AMB 25-1:2546 5.50 (# 2546:25 Single Ambig)
&rst
ixpk= 2546, nxpk= 25, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1507,1508,1507,1508,
&end
#
# 98 VAL HN 97 VAL HA 2.80 (# 2547:25 Unique 2.16, 2.29 A)
&rst
ixpk= 2547, nxpk= 25, iat=1537,1523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 LEU HN 97 VAL HA 5.50 (# 2548:25 Unique 3.10, 3.31 A)
&rst
ixpk= 2548, nxpk= 25, iat=1454,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL HN 97 VAL HA 5.50 (# 2549:25 Unique 2.93, 2.96 A)
&rst
ixpk= 2549, nxpk= 25, iat=1521,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL HB 97 VAL HA 4.50 (# 2550:25 Unique 2.41, 2.57 A)
&rst
ixpk= 2550, nxpk= 25, iat=1525,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2551 97 VAL HA 2.80 (# 2551:25 Single Ambig)
&rst
ixpk= 2551, nxpk= 25, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1527,1528,1529,1531,1532,1533,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,
&end
#
# 97 VAL MGY 97 VAL HA 2.80 (# 2552:25 Unique 2.38, 3.47 A)
&rst
ixpk= 2552, nxpk= 25, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 25-2:2553 97 VAL MGY 5.50 (# 2553:25 Single Ambig)
&rst
ixpk= 2553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1421, 550,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 92 ASN HN 97 VAL MGY 5.50 (# 2555:25 Unique 3.94, 6.56 A)
&rst
ixpk= 2555, nxpk= 25, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 98 VAL HN 97 VAL MGY 3.50 (# 2556:25 Unique 2.41, 4.47 A)
&rst
ixpk= 2556, nxpk= 25, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 93 LEU HN 97 VAL MGY 5.50 (# 2557:25 Unique 4.12, 5.83 A)
&rst
ixpk= 2557, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 97 VAL HN 97 VAL MGY 5.50 (# 2558:25 Unique 2.30, 3.65 A)
&rst
ixpk= 2558, nxpk= 25, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 37 GLN HE2+ 97 VAL MGY 5.50 (# 2559:25 Unique 2.35, 5.86 A)
&rst
ixpk= 2559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 562, 563,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 37 GLN HE2- 97 VAL MGY 5.50 (# 2560:25 Unique 2.35, 5.86 A)
&rst
ixpk= 2560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 562, 563,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 91 LEU HA 97 VAL MGY 5.50 (# 2561:25 Unique 4.33, 7.00 A)
&rst
ixpk= 2561, nxpk= 25, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 25-2:2562 97 VAL MGY 2.80 (# 2562:25 Single Ambig)
&rst
ixpk= 2562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1442,1523,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 25-2:2563 97 VAL MGY 3.50 (# 2563:25 Single Ambig)
&rst
ixpk= 2563, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1499,1016,1539,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 67 PRO HD- 97 VAL MGY 5.50 (# 2565:25 Unique 2.95, 6.14 A)
&rst
ixpk= 2565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1031,1032,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 92 ASN HB+ 97 VAL MGY 5.50 (# 2566:25 Unique 2.24, 5.01 A)
&rst
ixpk= 2566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1444,1445,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 97 VAL HB 97 VAL MGY 2.80 (# 2567:25 Unique 2.36, 2.65 A)
&rst
ixpk= 2567, nxpk= 25, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1527,1528,1529,1531,1532,1533,
&end
#
# 99 GLY HN 98 VAL HA 3.50 (# 2568:25 Unique 2.55, 2.64 A)
&rst
ixpk= 2568, nxpk= 25, iat=1553,1539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 VAL HN 98 VAL HA 5.50 (# 2569:25 Unique 2.84, 2.87 A)
&rst
ixpk= 2569, nxpk= 25, iat=1537,1539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 PRO HG+ 98 VAL HA 5.50 (# 2571:25 Unique 2.21, 3.17 A)
&rst
ixpk= 2571, nxpk= 25, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1034,1035,
&end
#
# 67 PRO HG- 98 VAL HA 5.50 (# 2572:25 Unique 2.21, 3.17 A)
&rst
ixpk= 2572, nxpk= 25, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1034,1035,
&end
#
# 98 VAL HB 98 VAL HA 4.50 (# 2573:25 Unique 2.31, 2.48 A)
&rst
ixpk= 2573, nxpk= 25, iat=1541,1539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2574 98 VAL HA 2.80 (# 2574:25 Single Ambig)
&rst
ixpk= 2574, nxpk= 25, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 25-2:2575 98 VAL HA 2.80 (# 2575:25 Single Ambig)
&rst
ixpk= 2575, nxpk= 25, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,
&end
#
# 99 GLY HN 98 VAL HB 5.50 (# 2576:25 Unique 2.32, 3.73 A)
&rst
ixpk= 2576, nxpk= 25, iat=1553,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 VAL HN 98 VAL HB 4.50 (# 2577:25 Unique 3.30, 3.45 A)
&rst
ixpk= 2577, nxpk= 25, iat=1537,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 ASN HA 98 VAL HB 5.50 (# 2578:25 Unique 5.31, 6.11 A)
&rst
ixpk= 2578, nxpk= 25, iat=1442,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 VAL HA 98 VAL HB 3.50 (# 2579:25 Unique 2.31, 2.48 A)
&rst
ixpk= 2579, nxpk= 25, iat=1539,1541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2580 98 VAL HB 4.50 (# 2580:25 Single Ambig)
&rst
ixpk= 2580, nxpk= 25, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1504,1505,1504,1505,2328,2329,
&end
#
# 91 LEU HB- 98 VAL HB 5.50 (# 2581:25 Unique 4.96, 5.94 A)
&rst
ixpk= 2581, nxpk= 25, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1425,1426,
&end
#
# 0 AMB 25-2:2582 98 VAL HB 2.80 (# 2582:25 Single Ambig)
&rst
ixpk= 2582, nxpk= 25, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2352,2353,2354,2356,2357,2358,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,1463,1464,
1465,1467,1468,1469,1463,1464,1465,1467,1468,1469,
1069,1070,1071,1073,1074,1075,
&end
#
# 69 VAL HN 100 ILE HA 5.50 (# 2583:25 Unique 2.53, 2.96 A)
&rst
ixpk= 2583, nxpk= 25, iat=1063,1562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ILE HN 100 ILE HA 5.50 (# 2584:25 Unique 2.93, 2.97 A)
&rst
ixpk= 2584, nxpk= 25, iat=1560,1562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 VAL HN 100 ILE HA 3.50 (# 2585:25 Unique 2.04, 2.16 A)
&rst
ixpk= 2585, nxpk= 25, iat=1579,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP HA 100 ILE HA 5.50 (# 2586:25 Unique 3.42, 3.88 A)
&rst
ixpk= 2586, nxpk= 25, iat=1081,1562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2587 100 ILE HA 5.50 (# 2587:25 Single Ambig)
&rst
ixpk= 2587, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1046,1372,
&end
#
# 69 VAL HB 100 ILE HA 5.50 (# 2588:25 Unique 3.52, 4.36 A)
&rst
ixpk= 2588, nxpk= 25, iat=1067,1562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ILE HG1- 100 ILE HA 5.50 (# 2589:25 Unique 3.69, 3.79 A)
&rst
ixpk= 2589, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1570,1571,
&end
#
# 0 AMB 25-2:2590 100 ILE HA 5.50 (# 2590:25 Single Ambig)
&rst
ixpk= 2590, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1098,1390,
&end
#
# 100 ILE HB 100 ILE HA 4.50 (# 2591:25 Unique 2.47, 2.53 A)
&rst
ixpk= 2591, nxpk= 25, iat=1564,1562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2592 100 ILE HA 3.50 (# 2592:25 Single Ambig)
&rst
ixpk= 2592, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1069,1070,1071,1073,1074,1075,1585,1586,1587,1589,
1590,1591,1585,1586,1587,1589,1590,1591,
&end
#
# 100 ILE QG2 100 ILE HA 2.80 (# 2593:25 Unique 2.17, 2.93 A)
&rst
ixpk= 2593, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1566,1567,1568,
&end
#
# 0 AMB 25-2:2594 100 ILE HA 3.50 (# 2594:25 Single Ambig)
&rst
ixpk= 2594, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1050,1051,1052,1100,1101,1102,1104,1105,1106,1100,
1101,1102,1104,1105,1106,
&end
#
# 0 AMB 25-2:2595 100 ILE HA 5.50 (# 2595:25 Single Ambig)
&rst
ixpk= 2595, nxpk= 25, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1573,1574,1575, 688, 689, 690, 692, 693, 694,
&end
#
# 0 AMB 25-2:2596 100 ILE HB 5.50 (# 2596:25 Single Ambig)
&rst
ixpk= 2596, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1560,1386,
&end
#
# 101 VAL HN 100 ILE HB 4.50 (# 2597:25 Unique 2.97, 3.18 A)
&rst
ixpk= 2597, nxpk= 25, iat=1579,1564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ILE HA 100 ILE HB 3.50 (# 2598:25 Unique 2.47, 2.53 A)
&rst
ixpk= 2598, nxpk= 25, iat=1562,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE QG2 100 ILE HB 2.80 (# 2601:25 Unique 2.34, 2.65 A)
&rst
ixpk= 2601, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1566,1567,1568,
&end
#
# 100 ILE QD1 100 ILE HB 3.50 (# 2602:25 Unique 2.46, 3.16 A)
&rst
ixpk= 2602, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1573,1574,1575,
&end
#
# 102 VAL MGY 100 ILE HB 3.50 (# 2603:25 Unique 2.77, 5.26 A)
&rst
ixpk= 2603, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2604 100 ILE HB 4.50 (# 2604:25 Single Ambig)
&rst
ixpk= 2604, nxpk= 25, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 69 VAL HN 100 ILE QG2 5.50 (# 2605:25 Unique 2.74, 4.20 A)
&rst
ixpk= 2605, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1566,1567,1568,
&end
#
# 101 VAL HN 100 ILE QG2 4.50 (# 2606:25 Unique 3.60, 4.63 A)
&rst
ixpk= 2606, nxpk= 25, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1566,1567,1568,
&end
#
# 71 LEU HN 100 ILE QG2 5.50 (# 2607:25 Unique 4.67, 5.83 A)
&rst
ixpk= 2607, nxpk= 25, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1566,1567,1568,
&end
#
# 100 ILE HA 100 ILE QG2 3.50 (# 2608:25 Unique 2.17, 2.93 A)
&rst
ixpk= 2608, nxpk= 25, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1566,1567,1568,
&end
#
# 68 ILE HA 100 ILE QG2 5.50 (# 2609:25 Unique 4.47, 5.70 A)
&rst
ixpk= 2609, nxpk= 25, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1566,1567,1568,
&end
#
# 69 VAL HB 100 ILE QG2 4.50 (# 2610:25 Unique 2.33, 3.75 A)
&rst
ixpk= 2610, nxpk= 25, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1566,1567,1568,
&end
#
# 100 ILE HG1- 100 ILE QG2 3.50 (# 2613:25 Unique 2.46, 3.57 A)
&rst
ixpk= 2613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1570,1571,
igr2=1566,1567,1568,
&end
#
# 0 AMB 25-2:2614 100 ILE QG2 4.50 (# 2614:25 Single Ambig)
&rst
ixpk= 2614, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1098,1390,
igr2=1566,1567,1568,
&end
#
# 100 ILE HB 100 ILE QG2 2.80 (# 2615:25 Unique 2.34, 2.65 A)
&rst
ixpk= 2615, nxpk= 25, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1566,1567,1568,
&end
#
# 100 ILE HG1+ 100 ILE QG2 2.80 (# 2616:25 Unique 2.46, 3.57 A)
&rst
ixpk= 2616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1570,1571,
igr2=1566,1567,1568,
&end
#
# 100 ILE QD1 100 ILE QG2 2.80 (# 2617:25 Unique 2.23, 3.75 A)
&rst
ixpk= 2617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1573,1574,1575,
igr2=1566,1567,1568,
&end
#
# 100 ILE HN 100 ILE QG2 4.50 (# 2618:25 Unique 3.20, 4.17 A)
&rst
ixpk= 2618, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1566,1567,1568,
&end
#
# 0 AMB 25-2:2619 100 ILE QD1 5.50 (# 2619:25 Single Ambig)
&rst
ixpk= 2619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1560,1386,
igr2=1573,1574,1575,
&end
#
# 0 AMB 25-2:2621 100 ILE QD1 5.50 (# 2621:25 Single Ambig)
&rst
ixpk= 2621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1562, 438, 439,
igr2=1573,1574,1575,
&end
#
# 100 ILE HG1- 100 ILE QD1 2.80 (# 2622:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1570,1571,
igr2=1573,1574,1575,
&end
#
# 0 AMB 25-2:2623 100 ILE QD1 3.50 (# 2623:25 Single Ambig)
&rst
ixpk= 2623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1390,1098,
igr2=1573,1574,1575,
&end
#
# 100 ILE HB 100 ILE QD1 3.50 (# 2624:25 Unique 2.46, 3.16 A)
&rst
ixpk= 2624, nxpk= 25, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1573,1574,1575,
&end
#
# 0 AMB 25-2:2625 100 ILE QD1 2.80 (# 2625:25 Single Ambig)
&rst
ixpk= 2625, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1570,1571,2244,2245,2246,2248,2249,2250,
igr2=1573,1574,1575,
&end
#
# 31 ILE QD1 100 ILE QD1 3.50 (# 2626:25 Unique 2.21, 3.74 A)
&rst
ixpk= 2626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 456, 457, 458,
igr2=1573,1574,1575,
&end
#
# 0 AMB 25-2:2627 100 ILE QD1 2.80 (# 2627:25 Single Ambig)
&rst
ixpk= 2627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1566,1567,1568,1430,1431,1432,1434,1435,1436,1430,
1431,1432,1434,1435,1436,
igr2=1573,1574,1575,
&end
#
# 102 VAL HN 102 VAL HB 5.50 (# 2628:25 Unique 2.64, 3.68 A)
&rst
ixpk= 2628, nxpk= 25, iat=1595,1599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ASP HN 102 VAL HB 4.50 (# 2629:25 Unique 2.22, 2.81 A)
&rst
ixpk= 2629, nxpk= 25, iat=1611,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 GLY HN 102 VAL HB 5.50 (# 2630:25 Unique 2.65, 3.37 A)
&rst
ixpk= 2630, nxpk= 25, iat=1623,1599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ASN HD2- 102 VAL HB 5.50 (# 2632:25 Unique 4.69, 5.64 A)
&rst
ixpk= 2632, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1335,1336,
&end
#
# 0 AMB 25-2:2634 102 VAL HB 5.50 (# 2634:25 Single Ambig)
&rst
ixpk= 2634, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1372, 349,
&end
#
# 102 VAL HA 102 VAL HB 4.50 (# 2635:25 Unique 2.41, 2.56 A)
&rst
ixpk= 2635, nxpk= 25, iat=1597,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU MDX 102 VAL HB 5.50 (# 2636:25 Unique 2.67, 5.81 A)
&rst
ixpk= 2636, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 102 VAL MGX 102 VAL HB 3.50 (# 2637:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2637, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL MGY 102 VAL HB 3.50 (# 2638:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2638, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2639 102 VAL MGY 5.50 (# 2639:25 Single Ambig)
&rst
ixpk= 2639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1595,1091,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 103 ASP HN 102 VAL MGY 5.50 (# 2640:25 Unique 2.24, 4.36 A)
&rst
ixpk= 2640, nxpk= 25, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 22 PHE HD 102 VAL MGY 4.50 (# 2642:25 Unique 2.30, 4.85 A)
&rst
ixpk= 2642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 321, 329,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 85 ASN HD2- 102 VAL MGY 4.50 (# 2643:25 Unique 2.30, 6.22 A)
&rst
ixpk= 2643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1336,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 22 PHE HE 102 VAL MGY 5.50 (# 2644:25 Unique 2.37, 5.38 A)
&rst
ixpk= 2644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 323, 327,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 29 TYR HD 102 VAL MGY 5.50 (# 2645:25 Unique 5.91, 8.61 A)
&rst
ixpk= 2645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 423, 432,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 100 ILE HA 102 VAL MGY 5.50 (# 2646:25 Unique 4.56, 6.79 A)
&rst
ixpk= 2646, nxpk= 25, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2647 102 VAL MGY 4.50 (# 2647:25 Single Ambig)
&rst
ixpk= 2647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1372, 349,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL HA 102 VAL MGY 3.50 (# 2648:25 Unique 2.32, 3.52 A)
&rst
ixpk= 2648, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 22 PHE HB+ 102 VAL MGY 5.50 (# 2649:25 Unique 2.37, 4.46 A)
&rst
ixpk= 2649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 317, 318,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL HB 102 VAL MGY 3.50 (# 2650:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2650, nxpk= 25, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 87 VAL HB 102 VAL MGY 4.50 (# 2651:25 Unique 2.28, 5.57 A)
&rst
ixpk= 2651, nxpk= 25, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2652 102 VAL MGY 4.50 (# 2652:25 Single Ambig)
&rst
ixpk= 2652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1098,1390, 354,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2653 102 VAL MGY 4.50 (# 2653:25 Single Ambig)
&rst
ixpk= 2653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1564,1095,1096,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2655 102 VAL MGY 4.50 (# 2655:25 Single Ambig)
&rst
ixpk= 2655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1570,1571,1636,1637,1638,1640,1641,1642,1636,1637,
1638,1640,1641,1642,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2656 102 VAL MGY 3.50 (# 2656:25 Single Ambig)
&rst
ixpk= 2656, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1360,1361,1362,1364,1365,1366, 356, 357, 358, 360,
361, 362,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 89 ILE QD1 102 VAL MGY 2.80 (# 2658:25 Unique 2.29, 4.24 A)
&rst
ixpk= 2658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1399,1400,1401,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2659 102 VAL MGX 5.50 (# 2659:25 Single Ambig)
&rst
ixpk= 2659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1386,1560,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 23 THR HN 102 VAL MGX 5.50 (# 2660:25 Unique 3.71, 6.09 A)
&rst
ixpk= 2660, nxpk= 25, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2661 102 VAL MGX 5.50 (# 2661:25 Single Ambig)
&rst
ixpk= 2661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1630,1370,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2662 102 VAL MGX 3.50 (# 2662:25 Single Ambig)
&rst
ixpk= 2662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1595,1091,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 87 VAL HN 102 VAL MGX 5.50 (# 2663:25 Unique 3.71, 6.16 A)
&rst
ixpk= 2663, nxpk= 25, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 103 ASP HN 102 VAL MGX 4.50 (# 2664:25 Unique 2.24, 4.36 A)
&rst
ixpk= 2664, nxpk= 25, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 104 GLY HN 102 VAL MGX 4.50 (# 2665:25 Unique 2.35, 4.56 A)
&rst
ixpk= 2665, nxpk= 25, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 85 ASN HD2- 102 VAL MGX 5.50 (# 2667:25 Unique 2.30, 6.22 A)
&rst
ixpk= 2667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1335,1336,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 22 PHE HA 102 VAL MGX 5.50 (# 2668:25 Unique 4.65, 6.30 A)
&rst
ixpk= 2668, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2669 102 VAL MGX 5.50 (# 2669:25 Single Ambig)
&rst
ixpk= 2669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1581,1632,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2670 102 VAL MGX 3.50 (# 2670:25 Single Ambig)
&rst
ixpk= 2670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1372, 349,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL HA 102 VAL MGX 4.50 (# 2671:25 Unique 2.32, 3.52 A)
&rst
ixpk= 2671, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 104 GLY HA+ 102 VAL MGX 5.50 (# 2672:25 Unique 2.40, 5.75 A)
&rst
ixpk= 2672, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1625,1626,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 104 GLY HA- 102 VAL MGX 5.50 (# 2673:25 Unique 2.40, 5.75 A)
&rst
ixpk= 2673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1625,1626,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 22 PHE HB+ 102 VAL MGX 4.50 (# 2674:25 Unique 2.37, 4.46 A)
&rst
ixpk= 2674, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 317, 318,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 22 PHE HB- 102 VAL MGX 4.50 (# 2675:25 Unique 2.37, 4.46 A)
&rst
ixpk= 2675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 317, 318,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 102 VAL HB 102 VAL MGX 3.50 (# 2676:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2676, nxpk= 25, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 87 VAL HB 102 VAL MGX 3.50 (# 2677:25 Unique 2.28, 5.57 A)
&rst
ixpk= 2677, nxpk= 25, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2678 102 VAL MGX 4.50 (# 2678:25 Single Ambig)
&rst
ixpk= 2678, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 592, 593, 592, 593,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2679 102 VAL MGX 3.50 (# 2679:25 Single Ambig)
&rst
ixpk= 2679, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1360,1361,1362,1364,1365,1366, 356, 357, 358, 360,
361, 362,
igr2=1601,1602,1603,1605,1606,1607,
&end
#
# 0 AMB 25-2:2690 105 VAL HA 3.50 (# 2690:25 Single Ambig)
&rst
ixpk= 2690, nxpk= 25, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1636,1637,1638,1640,1641,1642,1636,1637,1638,1640,
1641,1642,
&end
#
# 105 VAL HB 105 VAL HA 5.50 (# 2691:25 Unique 2.51, 2.54 A)
&rst
ixpk= 2691, nxpk= 25, iat=1634,1632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HA 105 VAL HA 4.50 (# 2692:25 Unique 2.09, 2.17 A)
&rst
ixpk= 2692, nxpk= 25, iat= 315,1632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 SER HN 105 VAL HA 3.50 (# 2693:25 Unique 2.13, 2.15 A)
&rst
ixpk= 2693, nxpk= 25, iat=1646,1632, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 SER HN 105 VAL HB 4.50 (# 2694:25 Unique 3.19, 3.32 A)
&rst
ixpk= 2694, nxpk= 25, iat=1646,1634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL HN 105 VAL HB 3.50 (# 2695:25 Unique 3.52, 3.54 A)
&rst
ixpk= 2695, nxpk= 25, iat=1630,1634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 PHE HA 105 VAL HB 5.50 (# 2696:25 Unique 4.24, 4.35 A)
&rst
ixpk= 2696, nxpk= 25, iat= 315,1634, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HA 105 VAL HB 3.50 (# 2697:25 Unique 2.51, 2.54 A)
&rst
ixpk= 2697, nxpk= 25, iat=1632,1634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2702 105 VAL HB 5.50 (# 2702:25 Single Ambig)
&rst
ixpk= 2702, nxpk= 25, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 318,1650,1651,1650,1651,
&end
#
# 0 AMB 25-2:2703 105 VAL HB 2.80 (# 2703:25 Single Ambig)
&rst
ixpk= 2703, nxpk= 25, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 287, 288, 289, 291, 292, 293, 287, 288, 289, 291,
292, 293,1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2704 105 VAL HB 4.50 (# 2704:25 Single Ambig)
&rst
ixpk= 2704, nxpk= 25, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 588, 589, 590, 595, 596, 597,
&end
#
# 102 VAL MGX 105 VAL HB 5.50 (# 2706:25 Unique 5.53, 7.50 A)
&rst
ixpk= 2706, nxpk= 25, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1603,1605,1606,1607,
&end
#
# 89 ILE QD1 105 VAL HB 5.50 (# 2707:25 Unique 4.86, 5.70 A)
&rst
ixpk= 2707, nxpk= 25, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1399,1400,1401,
&end
#
# 106 SER HN 105 VAL MGY 4.50 (# 2708:25 Unique 3.81, 4.97 A)
&rst
ixpk= 2708, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 50 ASN HN 51 THR MG2 5.50 (# 2709:25 Unique 2.98, 5.16 A)
&rst
ixpk= 2709, nxpk= 25, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 785, 786, 787,
&end
#
# 105 VAL HN 105 VAL MGY 4.50 (# 2710:25 Unique 1.90, 3.10 A)
&rst
ixpk= 2710, nxpk= 25, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 21 VAL HN 105 VAL MGY 5.50 (# 2711:25 Unique 4.84, 6.72 A)
&rst
ixpk= 2711, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2712 0 AMB 25-1:2712 4.50 (# 2712:25 Double Ambig)
&rst
ixpk= 2712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 807,1657,1354,
igr2= 785, 786, 787,1636,1637,1638,1640,1641,1642,
&end
#
# 57 GLY HN 51 THR MG2 5.50 (# 2713:25 Unique 3.55, 6.60 A)
&rst
ixpk= 2713, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 785, 786, 787,
&end
#
# 22 PHE HA 105 VAL MGY 5.50 (# 2714:25 Unique 3.76, 5.40 A)
&rst
ixpk= 2714, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 105 VAL HA 105 VAL MGY 3.50 (# 2715:25 Unique 2.29, 3.46 A)
&rst
ixpk= 2715, nxpk= 25, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2716 0 AMB 25-1:2716 4.50 (# 2716:25 Double Ambig)
&rst
ixpk= 2716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 317, 318, 794, 795,
igr2=1636,1637,1638,1640,1641,1642, 785, 786, 787,
&end
#
# 22 PHE HB- 105 VAL MGY 5.50 (# 2717:25 Unique 2.29, 4.89 A)
&rst
ixpk= 2717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 317, 318,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 105 VAL HB 105 VAL MGY 2.80 (# 2718:25 Unique 2.39, 2.66 A)
&rst
ixpk= 2718, nxpk= 25, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2719 0 AMB 25-1:2719 4.50 (# 2719:25 Double Ambig)
&rst
ixpk= 2719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 282, 283, 860, 861,
igr2=1636,1637,1638,1640,1641,1642, 785, 786, 787,
&end
#
# 89 ILE QD1 105 VAL MGY 3.50 (# 2720:25 Unique 2.44, 5.22 A)
&rst
ixpk= 2720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1399,1400,1401,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 89 ILE HN 105 VAL MGX 5.50 (# 2721:25 Unique 5.15, 7.32 A)
&rst
ixpk= 2721, nxpk= 25, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 106 SER HN 105 VAL MGX 5.50 (# 2722:25 Unique 3.81, 4.97 A)
&rst
ixpk= 2722, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 23 THR HN 105 VAL MGX 5.50 (# 2723:25 Unique 5.32, 6.54 A)
&rst
ixpk= 2723, nxpk= 25, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 105 VAL HN 105 VAL MGX 3.50 (# 2724:25 Unique 1.90, 3.10 A)
&rst
ixpk= 2724, nxpk= 25, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2725 105 VAL MGX 5.50 (# 2725:25 Single Ambig)
&rst
ixpk= 2725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1657,1354,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 22 PHE HD 105 VAL MGX 5.50 (# 2726:25 Unique 3.88, 6.99 A)
&rst
ixpk= 2726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 321, 329,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 22 PHE HA 105 VAL MGX 5.50 (# 2727:25 Unique 3.76, 5.40 A)
&rst
ixpk= 2727, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 105 VAL HA 105 VAL MGX 3.50 (# 2728:25 Unique 2.29, 3.46 A)
&rst
ixpk= 2728, nxpk= 25, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2729 105 VAL MGX 5.50 (# 2729:25 Single Ambig)
&rst
ixpk= 2729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1648,1659, 280,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 104 GLY HA+ 105 VAL MGX 5.50 (# 2730:25 Unique 3.81, 5.38 A)
&rst
ixpk= 2730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1625,1626,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 104 GLY HA- 105 VAL MGX 5.50 (# 2731:25 Unique 3.81, 5.38 A)
&rst
ixpk= 2731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1625,1626,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 22 PHE HB+ 105 VAL MGX 5.50 (# 2732:25 Unique 2.29, 4.89 A)
&rst
ixpk= 2732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 317, 318,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 22 PHE HB- 105 VAL MGX 4.50 (# 2733:25 Unique 2.29, 4.89 A)
&rst
ixpk= 2733, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 317, 318,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 105 VAL HB 105 VAL MGX 2.80 (# 2734:25 Unique 2.39, 2.66 A)
&rst
ixpk= 2734, nxpk= 25, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 87 VAL HB 105 VAL MGX 4.50 (# 2735:25 Unique 2.87, 5.64 A)
&rst
ixpk= 2735, nxpk= 25, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2736 105 VAL MGX 4.50 (# 2736:25 Single Ambig)
&rst
ixpk= 2736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 285, 586,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 0 AMB 25-2:2737 105 VAL MGX 3.50 (# 2737:25 Single Ambig)
&rst
ixpk= 2737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 592, 593, 592, 593,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 102 VAL MGX 105 VAL MGX 3.50 (# 2739:25 Unique 2.72, 6.62 A)
&rst
ixpk= 2739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1601,1602,1603,1605,1606,1607,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 89 ILE QD1 105 VAL MGX 2.80 (# 2740:25 Unique 2.44, 5.22 A)
&rst
ixpk= 2740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1399,1400,1401,
igr2=1636,1637,1638,1640,1641,1642,
&end
#
# 106 SER HN 106 SER HA 3.50 (# 2742:25 Unique 2.83, 2.86 A)
&rst
ixpk= 2742, nxpk= 25, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ASP HN 106 SER HA 4.50 (# 2743:25 Unique 3.64, 3.66 A)
&rst
ixpk= 2743, nxpk= 25, iat=1657,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2746 106 SER HA 2.80 (# 2746:25 Single Ambig)
&rst
ixpk= 2746, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1650,1651,1650,1651,
&end
#
# 0 AMB 25-2:2747 106 SER HA 5.50 (# 2747:25 Single Ambig)
&rst
ixpk= 2747, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1636,1637,1638,1640,1641,1642, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
&end
#
# 106 SER HN 0 AMB 25-1:2748 3.50 (# 2748:25 Single Ambig)
&rst
ixpk= 2748, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1650,1651,1650,1651,
&end
#
# 107 ASP HN 0 AMB 25-1:2749 3.50 (# 2749:25 Single Ambig)
&rst
ixpk= 2749, nxpk= 25, iat=1657, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1650,1651,1650,1651,
&end
#
# 106 SER HA 0 AMB 25-1:2752 2.80 (# 2752:25 Single Ambig)
&rst
ixpk= 2752, nxpk= 25, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1650,1651,1650,1651,
&end
#
# 107 ASP HB- 0 AMB 25-1:2753 5.50 (# 2753:25 Single Ambig)
&rst
ixpk= 2753, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1661,1662,
igr2=1650,1651,1650,1651,
&end
#
# 21 VAL HB 0 AMB 25-1:2754 4.50 (# 2754:25 Single Ambig)
&rst
ixpk= 2754, nxpk= 25, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1650,1651,1650,1651,
&end
#
# 0 AMB 25-2:2755 0 AMB 25-1:2755 4.50 (# 2755:25 Double Ambig)
&rst
ixpk= 2755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1= 287, 288, 289, 291, 292, 293,1636,1637,1638,1640,
1641,1642,1636,1637,1638,1640,1641,1642,
igr2=1650,1651,1650,1651,1650,1651,1650,1651,
&end
#
# 21 VAL MGY 0 AMB 25-1:2756 2.80 (# 2756:25 Single Ambig)
&rst
ixpk= 2756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 303, 304, 305, 307, 308, 309,
igr2=1650,1651,1650,1651,
&end
#
# 0 AMB 25-2:2757 107 ASP HA 2.80 (# 2757:25 Single Ambig)
&rst
ixpk= 2757, nxpk= 25, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1669,1657,
&end
#
# 107 ASP HB+ 107 ASP HA 3.50 (# 2761:25 Unique 2.65, 2.85 A)
&rst
ixpk= 2761, nxpk= 25, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1661,1662,
&end
#
# 107 ASP HB- 107 ASP HA 4.50 (# 2762:25 Unique 2.65, 2.85 A)
&rst
ixpk= 2762, nxpk= 25, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1661,1662,
&end
#
# 0 AMB 25-2:2764 107 ASP HA 4.50 (# 2764:25 Single Ambig)
&rst
ixpk= 2764, nxpk= 25, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1675,1676,1677,1679,1680,1681, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
&end
#
# 0 AMB 25-2:2765 107 ASP HA 5.50 (# 2765:25 Single Ambig)
&rst
ixpk= 2765, nxpk= 25, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1675,1676,1677,1679,1680,1681, 303, 304, 305, 307,
308, 309,
&end
#
# 0 AMB 25-2:2766 0 AMB 25-1:2766 3.50 (# 2766:25 Double Ambig)
&rst
ixpk= 2766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1669,1657,
igr2=1661,1662,1661,1662,
&end
#
# 0 AMB 25-2:2767 107 ASP HB- 3.50 (# 2767:25 Single Ambig)
&rst
ixpk= 2767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1669,1657,
igr2=1661,1662,
&end
#
# 83 ASN HA 0 AMB 25-1:2769 5.50 (# 2769:25 Single Ambig)
&rst
ixpk= 2769, nxpk= 25, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1271,1272,1271,1272,
&end
#
# 107 ASP HA 107 ASP HB+ 3.50 (# 2770:25 Unique 2.65, 2.85 A)
&rst
ixpk= 2770, nxpk= 25, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1661,1662,
&end
#
# 0 AMB 25-2:2771 0 AMB 25-1:2771 5.50 (# 2771:25 Double Ambig)
&rst
ixpk= 2771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1650,1651,1650,1651,
igr2=1661,1662,1661,1662,
&end
#
# 0 AMB 25-2:2772 107 ASP HB- 5.50 (# 2772:25 Single Ambig)
&rst
ixpk= 2772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1650,1651,1650,1651,
igr2=1661,1662,
&end
#
# 0 AMB 25-2:2774 0 AMB 25-1:2774 4.50 (# 2774:25 Double Ambig)
&rst
ixpk= 2774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1304,1305,1304,1305,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 25-2:2775 0 AMB 25-1:2775 5.50 (# 2775:25 Double Ambig)
&rst
ixpk= 2775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 301,1634,
igr2=1661,1662,1661,1662,
&end
#
# 0 AMB 25-2:2776 0 AMB 25-1:2776 5.50 (# 2776:25 Double Ambig)
&rst
ixpk= 2776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 301,1583,1634,
igr2=1661,1662,1271,1272,1271,1272,
&end
#
# 109 LEU HG 107 ASP HB+ 5.50 (# 2777:25 Unique 2.45, 3.64 A)
&rst
ixpk= 2777, nxpk= 25, iat=1692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1661,1662,
&end
#
# 109 LEU HG 107 ASP HB- 5.50 (# 2778:25 Unique 2.45, 3.64 A)
&rst
ixpk= 2778, nxpk= 25, iat=1692, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1661,1662,
&end
#
# 0 AMB 25-2:2779 0 AMB 25-1:2779 5.50 (# 2779:25 Double Ambig)
&rst
ixpk= 2779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1675,1676,1677,1679,1680,1681, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
igr2=1661,1662,1661,1662,1661,1662,
&end
#
# 0 AMB 25-2:2780 107 ASP HB- 5.50 (# 2780:25 Single Ambig)
&rst
ixpk= 2780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1675,1676,1677,1679,1680,1681, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
igr2=1661,1662,
&end
#
# 0 AMB 25-2:2781 0 AMB 25-1:2781 3.50 (# 2781:25 Double Ambig)
&rst
ixpk= 2781, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,1694,1695,1696,1698,1699,1700,1694,1695,
1696,1698,1699,1700,
igr2=1661,1662,1661,1662,1661,1662,1661,1662,
&end
#
# 0 AMB 25-2:2782 107 ASP HB- 3.50 (# 2782:25 Single Ambig)
&rst
ixpk= 2782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309,1694,1695,1696,1698,1699,1700,1694,1695,
1696,1698,1699,1700,
igr2=1661,1662,
&end
#
# 0 AMB 25-2:2783 0 AMB 25-1:2783 5.50 (# 2783:25 Double Ambig)
&rst
ixpk= 2783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
igr2=1271,1272,1271,1272,1271,1272,
&end
#
# 83 ASN HD2- 0 AMB 25-1:2785 5.50 (# 2785:25 Single Ambig)
&rst
ixpk= 2785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1309,1310,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 25-2:2786 0 AMB 25-1:2786 5.50 (# 2786:25 Double Ambig)
&rst
ixpk= 2786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1309,1310,1309,1310,1340,
igr2=1271,1272,1271,1272,1271,1272,
&end
#
# 81 ASP HN 0 AMB 25-1:2788 2.80 (# 2788:25 Single Ambig)
&rst
ixpk= 2788, nxpk= 25, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1271,1272,1271,1272,
&end
#
# 109 LEU HN 108 VAL HB 4.50 (# 2789:25 Unique 3.95, 4.12 A)
&rst
ixpk= 2789, nxpk= 25, iat=1685,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 VAL HN 108 VAL HB 2.80 (# 2790:25 Unique 2.63, 2.74 A)
&rst
ixpk= 2790, nxpk= 25, iat=1669,1673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 108 VAL HA 108 VAL HB 4.50 (# 2791:25 Unique 2.48, 2.96 A)
&rst
ixpk= 2791, nxpk= 25, iat=1671,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 LEU HA 108 VAL HB 4.50 (# 2792:25 Unique 3.12, 4.34 A)
&rst
ixpk= 2792, nxpk= 25, iat= 280,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ASP HB+ 108 VAL HB 5.50 (# 2793:25 Unique 5.37, 5.95 A)
&rst
ixpk= 2793, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1661,1662,
&end
#
# 0 AMB 25-2:2794 108 VAL HB 2.80 (# 2794:25 Single Ambig)
&rst
ixpk= 2794, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1675,1676,1677,1679,1680,1681, 287, 288, 289, 291,
292, 293, 287, 288, 289, 291, 292, 293,
&end
#
# 108 VAL MGX 108 VAL HB 2.80 (# 2795:25 Unique 2.41, 2.66 A)
&rst
ixpk= 2795, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1675,1676,1677,1679,1680,1681,
&end
#
# 20 LEU HN 108 VAL MGY 4.50 (# 2796:25 Unique 3.59, 5.42 A)
&rst
ixpk= 2796, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 109 LEU HN 108 VAL MGY 5.50 (# 2797:25 Unique 2.59, 4.20 A)
&rst
ixpk= 2797, nxpk= 25, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 21 VAL HN 108 VAL MGY 5.50 (# 2798:25 Unique 3.85, 5.36 A)
&rst
ixpk= 2798, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 108 VAL HN 108 VAL MGY 3.50 (# 2799:25 Unique 2.21, 4.22 A)
&rst
ixpk= 2799, nxpk= 25, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 108 VAL HA 108 VAL MGY 3.50 (# 2800:25 Unique 2.45, 3.23 A)
&rst
ixpk= 2800, nxpk= 25, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 20 LEU HA 108 VAL MGY 3.50 (# 2801:25 Unique 2.19, 3.74 A)
&rst
ixpk= 2801, nxpk= 25, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 0 AMB 25-2:2802 108 VAL MGY 5.50 (# 2802:25 Single Ambig)
&rst
ixpk= 2802, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1661,1662, 262, 263,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 18 GLU HG+ 108 VAL MGY 3.50 (# 2803:25 Unique 2.32, 4.67 A)
&rst
ixpk= 2803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 250, 251,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 0 AMB 25-2:2804 108 VAL MGY 3.50 (# 2804:25 Single Ambig)
&rst
ixpk= 2804, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,1673, 282, 283,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 20 LEU HB- 108 VAL MGY 3.50 (# 2805:25 Unique 2.76, 5.20 A)
&rst
ixpk= 2805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 282, 283,
igr2=1675,1676,1677,1679,1680,1681,
&end
#
# 109 LEU HN 109 LEU HB+ 4.50 (# 2806:25 Unique 2.66, 3.34 A)
&rst
ixpk= 2806, nxpk= 25, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1689,1690,
&end
#
# 109 LEU HN 109 LEU HB- 4.50 (# 2807:25 Unique 2.66, 3.34 A)
&rst
ixpk= 2807, nxpk= 25, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1689,1690,
&end
#
# 110 SER HN 109 LEU HB+ 4.50 (# 2808:25 Unique 2.12, 2.91 A)
&rst
ixpk= 2808, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1689,1690,
&end
#
# 110 SER HN 109 LEU HB- 4.50 (# 2809:25 Unique 2.12, 2.91 A)
&rst
ixpk= 2809, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1689,1690,
&end
#
# 0 AMB 25-2:2810 0 AMB 25-1:2810 4.50 (# 2810:25 Double Ambig)
&rst
ixpk= 2810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 245,1717, 260,
igr2=1689,1690,1689,1690,1689,1690,
&end
#
# 134 LEU HA 134 LEU HB+ 3.50 (# 2811:25 Unique 2.33, 2.48 A)
&rst
ixpk= 2811, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2070,2071,
&end
#
# 109 LEU HA 109 LEU HB+ 3.50 (# 2812:25 Unique 2.22, 2.76 A)
&rst
ixpk= 2812, nxpk= 25, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1689,1690,
&end
#
# 109 LEU HA 109 LEU HB- 2.80 (# 2813:25 Unique 2.22, 2.76 A)
&rst
ixpk= 2813, nxpk= 25, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1689,1690,
&end
#
# 0 AMB 25-2:2814 0 AMB 25-1:2814 2.80 (# 2814:25 Double Ambig)
&rst
ixpk= 2814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700, 303, 304, 305, 307, 308, 309,
igr2=1689,1690,1689,1690,1689,1690,
&end
#
# 0 AMB 25-2:2815 109 LEU HB- 2.80 (# 2815:25 Single Ambig)
&rst
ixpk= 2815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700, 303, 304, 305, 307, 308, 309,
igr2=1689,1690,
&end
#
# 0 AMB 25-2:2816 0 AMB 25-1:2816 3.50 (# 2816:25 Double Ambig)
&rst
ixpk= 2816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,2190,2191,2192,2194,2195,2196,
igr2=1689,1690,1689,1690,1689,1690,
&end
#
# 0 AMB 25-2:2817 0 AMB 25-1:2817 4.50 (# 2817:25 Double Ambig)
&rst
ixpk= 2817, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 262, 263,1661,1662,
igr2=1689,1690,1689,1690,
&end
#
# 0 AMB 25-2:2818 0 AMB 25-1:2818 5.50 (# 2818:25 Double Ambig)
&rst
ixpk= 2818, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1673, 247, 248,
igr2=1689,1690,1689,1690,
&end
#
# 0 AMB 25-2:2821 109 LEU HG 5.50 (# 2821:25 Single Ambig)
&rst
ixpk= 2821, nxpk= 25, iat= -1,1692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 278,
&end
#
# 109 LEU HN 109 LEU HG 4.50 (# 2822:25 Unique 2.79, 3.34 A)
&rst
ixpk= 2822, nxpk= 25, iat=1685,1692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 SER HN 109 LEU HG 5.50 (# 2823:25 Unique 4.82, 4.90 A)
&rst
ixpk= 2823, nxpk= 25, iat=1704,1692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 LEU HA 109 LEU HG 3.50 (# 2824:25 Unique 3.06, 3.16 A)
&rst
ixpk= 2824, nxpk= 25, iat=1687,1692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ASP HB+ 109 LEU HG 5.50 (# 2827:25 Unique 2.45, 3.64 A)
&rst
ixpk= 2827, nxpk= 25, iat= -1,1692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1661,1662,
&end
#
# 107 ASP HB- 109 LEU HG 5.50 (# 2828:25 Unique 2.45, 3.64 A)
&rst
ixpk= 2828, nxpk= 25, iat= -1,1692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1661,1662,
&end
#
# 0 AMB 25-2:2830 109 LEU HG 3.50 (# 2830:25 Single Ambig)
&rst
ixpk= 2830, nxpk= 25, iat= -1,1692, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700, 303, 304, 305, 307, 308, 309, 303, 304,
305, 307, 308, 309,
&end
#
# 0 AMB 25-2:2831 109 LEU HG 3.50 (# 2831:25 Single Ambig)
&rst
ixpk= 2831, nxpk= 25, iat= -1,1692, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,1724,1725,1726,1728,1729,1730,
&end
#
# 109 LEU HN 0 AMB 25-1:2832 4.50 (# 2832:25 Single Ambig)
&rst
ixpk= 2832, nxpk= 25, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 110 SER HN 0 AMB 25-1:2833 5.50 (# 2833:25 Single Ambig)
&rst
ixpk= 2833, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2834 0 AMB 25-1:2834 5.50 (# 2834:25 Double Ambig)
&rst
ixpk= 2834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1669,1657,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 21 VAL HA 0 AMB 25-1:2837 5.50 (# 2837:25 Single Ambig)
&rst
ixpk= 2837, nxpk= 25, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2838 0 AMB 25-1:2838 5.50 (# 2838:25 Double Ambig)
&rst
ixpk= 2838, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 245,1717,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 109 LEU HA 0 AMB 25-1:2839 3.50 (# 2839:25 Single Ambig)
&rst
ixpk= 2839, nxpk= 25, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2840 0 AMB 25-1:2840 4.50 (# 2840:25 Double Ambig)
&rst
ixpk= 2840, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 280,1659,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2842 0 AMB 25-1:2842 5.50 (# 2842:25 Double Ambig)
&rst
ixpk= 2842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1=1650,1651,1650,1651,1650,1651,1708,1709,1708,1709,
1708,1709,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2843 0 AMB 25-1:2843 5.50 (# 2843:25 Double Ambig)
&rst
ixpk= 2843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2150,2151,2150,2151,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 140 ARG HD- 0 AMB 25-1:2844 5.50 (# 2844:25 Single Ambig)
&rst
ixpk= 2844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2150,2151,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2845 0 AMB 25-1:2845 4.50 (# 2845:25 Double Ambig)
&rst
ixpk= 2845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1661,1662,1661,1662,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2846 0 AMB 25-1:2846 4.50 (# 2846:25 Double Ambig)
&rst
ixpk= 2846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1=2409,2410,2409,2410, 262, 263,1661,1662,
igr2=2352,2353,2354,2356,2357,2358,1694,1695,1696,1698,
1699,1700,1694,1695,1696,1698,1699,1700,
&end
#
# 21 VAL HB 0 AMB 25-1:2847 4.50 (# 2847:25 Single Ambig)
&rst
ixpk= 2847, nxpk= 25, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2848 0 AMB 25-1:2848 4.50 (# 2848:25 Double Ambig)
&rst
ixpk= 2848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 250, 251,1673,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 140 ARG HB- 0 AMB 25-1:2849 4.50 (# 2849:25 Single Ambig)
&rst
ixpk= 2849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2144,2145,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2850 0 AMB 25-1:2850 2.80 (# 2850:25 Double Ambig)
&rst
ixpk= 2850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1692,1689,1690,1689,1690,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 142 LEU HG 0 AMB 25-1:2851 4.50 (# 2851:25 Single Ambig)
&rst
ixpk= 2851, nxpk= 25, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2852 0 AMB 25-1:2852 4.50 (# 2852:25 Double Ambig)
&rst
ixpk= 2852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2185,2186,2185,2186,2185,2186,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 0 AMB 25-2:2853 0 AMB 25-1:2853 2.80 (# 2853:25 Double Ambig)
&rst
ixpk= 2853, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,2190,2191,2192,2194,2195,2196,
igr2=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
&end
#
# 19 PHE HN 110 SER HA 4.50 (# 2854:25 Unique 2.88, 3.08 A)
&rst
ixpk= 2854, nxpk= 25, iat= 258,1706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LEU HN 110 SER HA 2.80 (# 2855:25 Unique 2.11, 2.19 A)
&rst
ixpk= 2855, nxpk= 25, iat=1715,1706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 SER HN 110 SER HA 4.50 (# 2857:25 Unique 2.92, 2.98 A)
&rst
ixpk= 2857, nxpk= 25, iat=1704,1706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLU HN 110 SER HA 5.50 (# 2858:25 Unique 4.55, 4.58 A)
&rst
ixpk= 2858, nxpk= 25, iat= 243,1706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HA 110 SER HA 3.50 (# 2859:25 Unique 1.95, 2.04 A)
&rst
ixpk= 2859, nxpk= 25, iat= 245,1706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2860 110 SER HA 2.80 (# 2860:25 Single Ambig)
&rst
ixpk= 2860, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1708,1709,1708,1709,
&end
#
# 18 GLU HG+ 110 SER HA 4.50 (# 2861:25 Unique 3.02, 4.11 A)
&rst
ixpk= 2861, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 250, 251,
&end
#
# 18 GLU HG- 110 SER HA 5.50 (# 2862:25 Unique 3.02, 4.11 A)
&rst
ixpk= 2862, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 250, 251,
&end
#
# 111 LEU HG 110 SER HA 5.50 (# 2864:25 Unique 4.77, 5.17 A)
&rst
ixpk= 2864, nxpk= 25, iat=1722,1706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LEU MDY 110 SER HA 5.50 (# 2865:25 Unique 3.02, 5.85 A)
&rst
ixpk= 2865, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 111 LEU HN 110 SER HB+ 5.50 (# 2866:25 Unique 2.77, 3.39 A)
&rst
ixpk= 2866, nxpk= 25, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1708,1709,
&end
#
# 111 LEU HN 110 SER HB- 5.50 (# 2867:25 Unique 2.77, 3.39 A)
&rst
ixpk= 2867, nxpk= 25, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1708,1709,
&end
#
# 110 SER HN 110 SER HB+ 3.50 (# 2868:25 Unique 2.56, 3.29 A)
&rst
ixpk= 2868, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1708,1709,
&end
#
# 110 SER HN 110 SER HB- 3.50 (# 2869:25 Unique 2.56, 3.29 A)
&rst
ixpk= 2869, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1708,1709,
&end
#
# 110 SER HA 110 SER HB+ 4.50 (# 2870:25 Unique 2.30, 2.68 A)
&rst
ixpk= 2870, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1708,1709,
&end
#
# 110 SER HA 110 SER HB- 3.50 (# 2871:25 Unique 2.30, 2.68 A)
&rst
ixpk= 2871, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1708,1709,
&end
#
# 18 GLU HA 110 SER HB+ 5.50 (# 2872:25 Unique 2.75, 3.92 A)
&rst
ixpk= 2872, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1708,1709,
&end
#
# 18 GLU HA 110 SER HB- 4.50 (# 2873:25 Unique 2.75, 3.92 A)
&rst
ixpk= 2873, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1708,1709,
&end
#
# 18 GLU HG+ 110 SER HB+ 5.50 (# 2880:25 Unique 2.72, 5.38 A)
&rst
ixpk= 2880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 250, 251,
igr2=1708,1709,
&end
#
# 18 GLU HG+ 110 SER HB- 4.50 (# 2881:25 Unique 2.72, 5.38 A)
&rst
ixpk= 2881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 250, 251,
igr2=1708,1709,
&end
#
# 18 GLU HG- 110 SER HB+ 5.50 (# 2882:25 Unique 2.72, 5.38 A)
&rst
ixpk= 2882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 250, 251,
igr2=1708,1709,
&end
#
# 18 GLU HG- 110 SER HB- 4.50 (# 2883:25 Unique 2.72, 5.38 A)
&rst
ixpk= 2883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 250, 251,
igr2=1708,1709,
&end
#
# 0 AMB 25-2:2884 0 AMB 25-1:2884 5.50 (# 2884:25 Double Ambig)
&rst
ixpk= 2884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1689,1690, 478,
igr2=1708,1709,1708,1709,
&end
#
# 0 AMB 25-2:2885 110 SER HB- 5.50 (# 2885:25 Single Ambig)
&rst
ixpk= 2885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1689,1690,1689,1690,
igr2=1708,1709,
&end
#
# 0 AMB 25-2:2886 0 AMB 25-1:2886 5.50 (# 2886:25 Double Ambig)
&rst
ixpk= 2886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
igr2=1708,1709,1708,1709,
&end
#
# 0 AMB 25-2:2887 110 SER HB- 5.50 (# 2887:25 Single Ambig)
&rst
ixpk= 2887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1694,1695,1696,1698,1699,1700,1694,1695,1696,1698,
1699,1700,
igr2=1708,1709,
&end
#
# 0 AMB 25-2:2888 111 LEU HA 2.80 (# 2888:25 Single Ambig)
&rst
ixpk= 2888, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1734,1715,
&end
#
# 0 AMB 25-2:2890 111 LEU HA 5.50 (# 2890:25 Single Ambig)
&rst
ixpk= 2890, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1777,1778,1780,1781,
&end
#
# 0 AMB 25-2:2891 111 LEU HA 5.50 (# 2891:25 Single Ambig)
&rst
ixpk= 2891, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1777,1778,1780,1781,
&end
#
# 0 AMB 25-2:2892 111 LEU HA 5.50 (# 2892:25 Single Ambig)
&rst
ixpk= 2892, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 230, 231, 247, 248,
&end
#
# 0 AMB 25-2:2893 111 LEU HA 4.50 (# 2893:25 Single Ambig)
&rst
ixpk= 2893, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1719,1720,1719,1720,
&end
#
# 111 LEU HG 111 LEU HA 2.80 (# 2894:25 Unique 2.33, 2.49 A)
&rst
ixpk= 2894, nxpk= 25, iat=1722,1717, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:2895 111 LEU HA 3.50 (# 2895:25 Single Ambig)
&rst
ixpk= 2895, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 111 LEU MDY 111 LEU HA 3.50 (# 2896:25 Unique 2.25, 4.25 A)
&rst
ixpk= 2896, nxpk= 25, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2897 0 AMB 25-1:2897 4.50 (# 2897:25 Double Ambig)
&rst
ixpk= 2897, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1734,1715,
igr2=1719,1720,1719,1720,1719,1720,
&end
#
# 111 LEU HA 0 AMB 25-1:2898 5.50 (# 2898:25 Single Ambig)
&rst
ixpk= 2898, nxpk= 25, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1719,1720,1719,1720,
&end
#
# 111 LEU HG 0 AMB 25-1:2899 2.80 (# 2899:25 Single Ambig)
&rst
ixpk= 2899, nxpk= 25, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1719,1720,1719,1720,
&end
#
# 0 AMB 25-2:2900 0 AMB 25-1:2900 3.50 (# 2900:25 Double Ambig)
&rst
ixpk= 2900, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1803,1804,1805,1724,1725,1726,1728,1729,1730,
igr2=1719,1720,1719,1720,1719,1720,
&end
#
# 111 LEU MDX 0 AMB 25-1:2901 4.50 (# 2901:25 Single Ambig)
&rst
ixpk= 2901, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1719,1720,1719,1720,
&end
#
# 0 AMB 25-2:2902 111 LEU HG 5.50 (# 2902:25 Single Ambig)
&rst
ixpk= 2902, nxpk= 25, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1734,1715,
&end
#
# 0 AMB 25-2:2903 111 LEU HG 5.50 (# 2903:25 Single Ambig)
&rst
ixpk= 2903, nxpk= 25, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2092,2121,
&end
#
# 110 SER HN 111 LEU HG 5.50 (# 2904:25 Unique 4.65, 5.10 A)
&rst
ixpk= 2904, nxpk= 25, iat=1704,1722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LEU HA 111 LEU HG 4.50 (# 2905:25 Unique 2.33, 2.49 A)
&rst
ixpk= 2905, nxpk= 25, iat=1717,1722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2909 111 LEU HG 4.50 (# 2909:25 Single Ambig)
&rst
ixpk= 2909, nxpk= 25, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1777,1778,1780,1781,
&end
#
# 0 AMB 25-2:2910 111 LEU HG 2.80 (# 2910:25 Single Ambig)
&rst
ixpk= 2910, nxpk= 25, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:2911 111 LEU HG 4.50 (# 2911:25 Single Ambig)
&rst
ixpk= 2911, nxpk= 25, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,
&end
#
# 136 ALA HN 111 LEU MDX 5.50 (# 2912:25 Unique 2.28, 4.52 A)
&rst
ixpk= 2912, nxpk= 25, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2913 111 LEU MDX 5.50 (# 2913:25 Single Ambig)
&rst
ixpk= 2913, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1734,1715,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 116 ILE HN 111 LEU MDX 5.50 (# 2914:25 Unique 4.08, 6.62 A)
&rst
ixpk= 2914, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 19 PHE HE 111 LEU MDX 5.50 (# 2915:25 Unique 2.93, 6.04 A)
&rst
ixpk= 2915, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 268, 272,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 19 PHE HD 111 LEU MDX 4.50 (# 2917:25 Unique 2.39, 5.76 A)
&rst
ixpk= 2917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 266, 274,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 111 LEU HA 111 LEU MDX 4.50 (# 2918:25 Unique 2.25, 4.25 A)
&rst
ixpk= 2918, nxpk= 25, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 135 GLY HA+ 111 LEU MDX 4.50 (# 2919:25 Unique 2.13, 4.90 A)
&rst
ixpk= 2919, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2087,2088,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 135 GLY HA- 111 LEU MDX 4.50 (# 2920:25 Unique 2.13, 4.90 A)
&rst
ixpk= 2920, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2087,2088,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2921 111 LEU MDX 5.50 (# 2921:25 Single Ambig)
&rst
ixpk= 2921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1777,1778,1780,1781, 262, 263,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2922 111 LEU MDX 5.50 (# 2922:25 Single Ambig)
&rst
ixpk= 2922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1777,1778,1780,1781,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 17 GLN HB- 111 LEU MDX 5.50 (# 2923:25 Unique 6.05, 7.75 A)
&rst
ixpk= 2923, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 230, 231,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2924 111 LEU MDX 3.50 (# 2924:25 Single Ambig)
&rst
ixpk= 2924, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1719,1720,1719,1720,1800,1801,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2925 111 LEU MDX 2.80 (# 2925:25 Single Ambig)
&rst
ixpk= 2925, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1722,1689,1690,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2926 111 LEU MDX 4.50 (# 2926:25 Single Ambig)
&rst
ixpk= 2926, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2188,2226,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2927 111 LEU MDX 4.50 (# 2927:25 Single Ambig)
&rst
ixpk= 2927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2185,2186,2185,2186,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2928 111 LEU MDX 2.80 (# 2928:25 Single Ambig)
&rst
ixpk= 2928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,1694,1695,1696,1698,1699,1700,1694,1695,
1696,1698,1699,1700,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 144 LEU MDX 111 LEU MDX 4.50 (# 2930:25 Unique 2.38, 5.34 A)
&rst
ixpk= 2930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 144 LEU MDY 111 LEU MDX 3.50 (# 2931:25 Unique 2.38, 5.34 A)
&rst
ixpk= 2931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 136 ALA HN 111 LEU MDY 4.50 (# 2932:25 Unique 2.28, 4.52 A)
&rst
ixpk= 2932, nxpk= 25, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2933 111 LEU MDY 5.50 (# 2933:25 Single Ambig)
&rst
ixpk= 2933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1734,1715,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 110 SER HN 111 LEU MDY 5.50 (# 2934:25 Unique 3.45, 6.20 A)
&rst
ixpk= 2934, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 115 GLN HN 111 LEU MDY 5.50 (# 2935:25 Unique 4.50, 7.18 A)
&rst
ixpk= 2935, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 115 GLN HE2+ 111 LEU MDY 5.50 (# 2936:25 Unique 2.76, 5.80 A)
&rst
ixpk= 2936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1785,1786,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 115 GLN HE2- 111 LEU MDY 5.50 (# 2937:25 Unique 2.76, 5.80 A)
&rst
ixpk= 2937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1785,1786,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 111 LEU HA 111 LEU MDY 3.50 (# 2939:25 Unique 2.25, 4.25 A)
&rst
ixpk= 2939, nxpk= 25, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 135 GLY HA+ 111 LEU MDY 4.50 (# 2940:25 Unique 2.13, 4.90 A)
&rst
ixpk= 2940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2087,2088,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2941 111 LEU MDY 5.50 (# 2941:25 Single Ambig)
&rst
ixpk= 2941, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2104,1738,1736,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 116 ILE HA 111 LEU MDY 5.50 (# 2942:25 Unique 4.49, 6.55 A)
&rst
ixpk= 2942, nxpk= 25, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2943 111 LEU MDY 5.50 (# 2943:25 Single Ambig)
&rst
ixpk= 2943, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1775,2183,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 135 GLY HA- 111 LEU MDY 4.50 (# 2944:25 Unique 2.13, 4.90 A)
&rst
ixpk= 2944, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2087,2088,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2945 111 LEU MDY 3.50 (# 2945:25 Single Ambig)
&rst
ixpk= 2945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1777,1778,1780,1781, 262, 263,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2946 111 LEU MDY 3.50 (# 2946:25 Single Ambig)
&rst
ixpk= 2946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1777,1778,1780,1781,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2947 111 LEU MDY 2.80 (# 2947:25 Single Ambig)
&rst
ixpk= 2947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1719,1720,1719,1720,1800,1801,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2948 111 LEU MDY 2.80 (# 2948:25 Single Ambig)
&rst
ixpk= 2948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2109,1689,1690,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2949 111 LEU MDY 3.50 (# 2949:25 Single Ambig)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2188,2226,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 0 AMB 25-2:2950 111 LEU MDY 2.80 (# 2950:25 Single Ambig)
&rst
ixpk= 2950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1722,1689,1690,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 144 LEU MDX 111 LEU MDY 5.50 (# 2952:25 Unique 2.38, 5.34 A)
&rst
ixpk= 2952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 144 LEU MDY 111 LEU MDY 5.50 (# 2953:25 Unique 2.38, 5.34 A)
&rst
ixpk= 2953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1724,1725,1726,1728,1729,1730,
&end
#
# 112 THR HN 112 THR HA 4.50 (# 2954:25 Unique 2.90, 2.97 A)
&rst
ixpk= 2954, nxpk= 25, iat=1734,1736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ALA HN 112 THR HA 3.50 (# 2955:25 Unique 2.31, 2.40 A)
&rst
ixpk= 2955, nxpk= 25, iat=1748,1736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLN HN 112 THR HA 5.50 (# 2956:25 Unique 2.41, 2.93 A)
&rst
ixpk= 2956, nxpk= 25, iat= 226,1736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLY HA+ 112 THR HA 4.50 (# 2959:25 Unique 2.00, 3.11 A)
&rst
ixpk= 2959, nxpk= 25, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 221, 222,
&end
#
# 16 GLY HA- 112 THR HA 4.50 (# 2960:25 Unique 2.00, 3.11 A)
&rst
ixpk= 2960, nxpk= 25, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 221, 222,
&end
#
# 0 AMB 25-2:2961 112 THR HA 5.50 (# 2961:25 Single Ambig)
&rst
ixpk= 2961, nxpk= 25, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 198, 199, 201, 202, 230, 231,
&end
#
# 112 THR MG2 112 THR HA 3.50 (# 2963:25 Unique 2.44, 3.12 A)
&rst
ixpk= 2963, nxpk= 25, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1740,1741,1742,
&end
#
# 112 THR HN 112 THR HB 5.50 (# 2964:25 Unique 2.48, 2.80 A)
&rst
ixpk= 2964, nxpk= 25, iat=1734,1738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ALA HN 112 THR HB 4.50 (# 2965:25 Unique 2.64, 3.61 A)
&rst
ixpk= 2965, nxpk= 25, iat=1748,1738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 GLU HN 112 THR HB 5.50 (# 2966:25 Unique 2.17, 3.00 A)
&rst
ixpk= 2966, nxpk= 25, iat=1758,1738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 THR MG2 112 THR HB 3.50 (# 2968:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2968, nxpk= 25, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1740,1741,1742,
&end
#
# 113 ALA HN 112 THR MG2 3.50 (# 2969:25 Unique 2.36, 3.45 A)
&rst
ixpk= 2969, nxpk= 25, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1740,1741,1742,
&end
#
# 112 THR HN 112 THR MG2 4.50 (# 2970:25 Unique 2.98, 4.47 A)
&rst
ixpk= 2970, nxpk= 25, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1740,1741,1742,
&end
#
# 114 GLU HN 112 THR MG2 4.50 (# 2971:25 Unique 1.82, 3.57 A)
&rst
ixpk= 2971, nxpk= 25, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1740,1741,1742,
&end
#
# 115 GLN HN 112 THR MG2 5.50 (# 2972:25 Unique 3.62, 5.02 A)
&rst
ixpk= 2972, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1740,1741,1742,
&end
#
# 115 GLN HE2- 112 THR MG2 5.50 (# 2973:25 Unique 3.15, 6.35 A)
&rst
ixpk= 2973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1785,1786,
igr2=1740,1741,1742,
&end
#
# 111 LEU HA 112 THR MG2 5.50 (# 2974:25 Unique 3.96, 6.17 A)
&rst
ixpk= 2974, nxpk= 25, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1740,1741,1742,
&end
#
# 0 AMB 25-2:2977 112 THR MG2 2.80 (# 2977:25 Single Ambig)
&rst
ixpk= 2977, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1738,1736,
igr2=1740,1741,1742,
&end
#
# 16 GLY HA+ 112 THR MG2 3.50 (# 2979:25 Unique 2.19, 4.00 A)
&rst
ixpk= 2979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 221, 222,
igr2=1740,1741,1742,
&end
#
# 0 AMB 25-2:2980 112 THR MG2 4.50 (# 2980:25 Single Ambig)
&rst
ixpk= 2980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 201, 202,1780,1781,
igr2=1740,1741,1742,
&end
#
# 0 AMB 25-2:2981 112 THR MG2 4.50 (# 2981:25 Single Ambig)
&rst
ixpk= 2981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1762,1763, 183, 184,
igr2=1740,1741,1742,
&end
#
# 113 ALA HN 113 ALA HA 3.50 (# 2983:25 Unique 2.70, 2.79 A)
&rst
ixpk= 2983, nxpk= 25, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 GLU HN 113 ALA HA 5.50 (# 2984:25 Unique 3.45, 3.53 A)
&rst
ixpk= 2984, nxpk= 25, iat=1758,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE HN 113 ALA HA 5.50 (# 2986:25 Unique 2.35, 2.73 A)
&rst
ixpk= 2986, nxpk= 25, iat=1790,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE HB 113 ALA HA 3.50 (# 2988:25 Unique 2.11, 2.30 A)
&rst
ixpk= 2988, nxpk= 25, iat=1794,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2989 113 ALA HA 5.50 (# 2989:25 Single Ambig)
&rst
ixpk= 2989, nxpk= 25, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 183, 184, 230, 231,
&end
#
# 113 ALA MB 113 ALA HA 2.80 (# 2990:25 Unique 2.36, 2.65 A)
&rst
ixpk= 2990, nxpk= 25, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1752,1753,1754,
&end
#
# 116 ILE QD1 113 ALA HA 3.50 (# 2991:25 Unique 2.50, 4.35 A)
&rst
ixpk= 2991, nxpk= 25, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1803,1804,1805,
&end
#
# 115 GLN HN 113 ALA HA 5.50 (# 2992:25 Unique 3.53, 3.89 A)
&rst
ixpk= 2992, nxpk= 25, iat=1773,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ALA HN 113 ALA MB 2.80 (# 2994:25 Unique 2.33, 2.89 A)
&rst
ixpk= 2994, nxpk= 25, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1752,1753,1754,
&end
#
# 114 GLU HN 113 ALA MB 3.50 (# 2995:25 Unique 2.82, 3.67 A)
&rst
ixpk= 2995, nxpk= 25, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1752,1753,1754,
&end
#
# 0 AMB 25-2:2998 113 ALA MB 4.50 (# 2998:25 Single Ambig)
&rst
ixpk= 2998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 181,1738,
igr2=1752,1753,1754,
&end
#
# 113 ALA HA 113 ALA MB 2.80 (# 2999:25 Unique 2.36, 2.65 A)
&rst
ixpk= 2999, nxpk= 25, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1752,1753,1754,
&end
#
# 0 AMB 25-2:3000 113 ALA MB 4.50 (# 3000:25 Single Ambig)
&rst
ixpk= 3000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 201, 202, 186, 187, 186, 187,
igr2=1752,1753,1754,
&end
#
# 0 AMB 25-2:3001 113 ALA MB 3.50 (# 3001:25 Single Ambig)
&rst
ixpk= 3001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 198, 199, 183, 184,
igr2=1752,1753,1754,
&end
#
# 0 AMB 25-2:3002 113 ALA MB 5.50 (# 3002:25 Single Ambig)
&rst
ixpk= 3002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1740,1741,1742,1813,1814,
igr2=1752,1753,1754,
&end
#
# 0 AMB 25-2:3003 113 ALA MB 4.50 (# 3003:25 Single Ambig)
&rst
ixpk= 3003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1803,1804,1805,1796,1797,1798,
igr2=1752,1753,1754,
&end
#
# 114 GLU HN 114 GLU HA 3.50 (# 3007:25 Unique 2.76, 2.82 A)
&rst
ixpk= 3007, nxpk= 25, iat=1758,1760, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLN HN 114 GLU HA 4.50 (# 3008:25 Unique 3.38, 3.53 A)
&rst
ixpk= 3008, nxpk= 25, iat=1773,1760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 ILE HN 114 GLU HA 5.50 (# 3009:25 Unique 3.91, 4.48 A)
&rst
ixpk= 3009, nxpk= 25, iat=1790,1760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 GLU HG+ 114 GLU HA 2.80 (# 3010:25 Unique 2.28, 2.95 A)
&rst
ixpk= 3010, nxpk= 25, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1765,1766,
&end
#
# 0 AMB 25-2:3011 114 GLU HA 2.80 (# 3011:25 Single Ambig)
&rst
ixpk= 3011, nxpk= 25, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1765,1766,1813,1814,
&end
#
# 114 GLU HN 114 GLU HB+ 3.50 (# 3014:25 Unique 2.02, 2.96 A)
&rst
ixpk= 3014, nxpk= 25, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1762,1763,
&end
#
# 114 GLU HN 114 GLU HB- 3.50 (# 3015:25 Unique 2.02, 2.96 A)
&rst
ixpk= 3015, nxpk= 25, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1762,1763,
&end
#
# 0 AMB 25-2:3016 0 AMB 25-1:3016 4.50 (# 3016:25 Double Ambig)
&rst
ixpk= 3016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1773,2444,
igr2=1762,1763,2391,2392,2391,2392,
&end
#
# 115 GLN HN 114 GLU HB- 5.50 (# 3017:25 Unique 2.65, 3.40 A)
&rst
ixpk= 3017, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1762,1763,
&end
#
# 114 GLU HA 114 GLU HB- 2.80 (# 3020:25 Unique 2.39, 2.79 A)
&rst
ixpk= 3020, nxpk= 25, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1762,1763,
&end
#
# 114 GLU HN 114 GLU HG+ 4.50 (# 3021:25 Unique 2.00, 3.11 A)
&rst
ixpk= 3021, nxpk= 25, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1765,1766,
&end
#
# 114 GLU HN 114 GLU HG- 3.50 (# 3022:25 Unique 2.00, 3.11 A)
&rst
ixpk= 3022, nxpk= 25, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1765,1766,
&end
#
# 115 GLN HN 114 GLU HG+ 5.50 (# 3023:25 Unique 2.61, 4.81 A)
&rst
ixpk= 3023, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1765,1766,
&end
#
# 115 GLN HN 114 GLU HG- 5.50 (# 3024:25 Unique 2.61, 4.81 A)
&rst
ixpk= 3024, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1765,1766,
&end
#
# 114 GLU HA 114 GLU HG+ 3.50 (# 3025:25 Unique 2.28, 2.95 A)
&rst
ixpk= 3025, nxpk= 25, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1765,1766,
&end
#
# 114 GLU HA 114 GLU HG- 2.80 (# 3026:25 Unique 2.28, 2.95 A)
&rst
ixpk= 3026, nxpk= 25, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1765,1766,
&end
#
# 115 GLN HA 114 GLU HG+ 5.50 (# 3027:25 Unique 3.99, 6.49 A)
&rst
ixpk= 3027, nxpk= 25, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1765,1766,
&end
#
# 115 GLN HA 114 GLU HG- 3.50 (# 3028:25 Unique 3.99, 6.49 A)
&rst
ixpk= 3028, nxpk= 25, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1765,1766,
&end
#
# 115 GLN HN 115 GLN HA 2.80 (# 3030:25 Unique 2.87, 2.90 A)
&rst
ixpk= 3030, nxpk= 25, iat=1773,1775, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:3031 115 GLN HA 2.80 (# 3031:25 Single Ambig)
&rst
ixpk= 3031, nxpk= 25, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1780,1781,1777,1778,
&end
#
# 0 AMB 25-2:3034 9 LYS HA 3.50 (# 3034:25 Single Ambig)
&rst
ixpk= 3034, nxpk= 25, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 148, 149, 150, 152, 153, 154, 148, 149, 150, 152,
153, 154, 93, 94, 95, 97, 98, 99,
&end
#
# 112 THR HN 115 GLN HB+ 5.50 (# 3035:25 Unique 2.41, 3.52 A)
&rst
ixpk= 3035, nxpk= 25, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1777,1778,
&end
#
# 112 THR HN 115 GLN HB- 5.50 (# 3036:25 Unique 2.41, 3.52 A)
&rst
ixpk= 3036, nxpk= 25, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1777,1778,
&end
#
# 115 GLN HN 115 GLN HB+ 4.50 (# 3037:25 Unique 2.33, 3.00 A)
&rst
ixpk= 3037, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 115 GLN HN 115 GLN HB- 4.50 (# 3038:25 Unique 2.33, 3.00 A)
&rst
ixpk= 3038, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 115 GLN HA 115 GLN HB+ 5.50 (# 3039:25 Unique 2.44, 2.77 A)
&rst
ixpk= 3039, nxpk= 25, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1777,1778,
&end
#
# 115 GLN HA 115 GLN HB- 4.50 (# 3040:25 Unique 2.44, 2.77 A)
&rst
ixpk= 3040, nxpk= 25, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1777,1778,
&end
#
# 111 LEU MDY 115 GLN HB+ 5.50 (# 3041:25 Unique 2.18, 4.99 A)
&rst
ixpk= 3041, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1777,1778,
&end
#
# 111 LEU MDY 115 GLN HB- 5.50 (# 3042:25 Unique 2.18, 4.99 A)
&rst
ixpk= 3042, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1777,1778,
&end
#
# 112 THR HN 115 GLN HG+ 5.50 (# 3043:25 Unique 3.19, 4.24 A)
&rst
ixpk= 3043, nxpk= 25, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1780,1781,
&end
#
# 115 GLN HN 115 GLN HG- 4.50 (# 3045:25 Unique 2.40, 3.33 A)
&rst
ixpk= 3045, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1780,1781,
&end
#
# 115 GLN HN 115 GLN HG+ 4.50 (# 3046:25 Unique 2.40, 3.33 A)
&rst
ixpk= 3046, nxpk= 25, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1780,1781,
&end
#
# 115 GLN HE2+ 115 GLN HG+ 4.50 (# 3047:25 Unique 2.23, 3.35 A)
&rst
ixpk= 3047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1785,1786,
igr2=1780,1781,
&end
#
# 115 GLN HE2+ 115 GLN HG- 4.50 (# 3048:25 Unique 2.23, 3.35 A)
&rst
ixpk= 3048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1785,1786,
igr2=1780,1781,
&end
#
# 115 GLN HE2- 115 GLN HG+ 5.50 (# 3049:25 Unique 2.23, 3.35 A)
&rst
ixpk= 3049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1785,1786,
igr2=1780,1781,
&end
#
# 115 GLN HE2- 115 GLN HG- 5.50 (# 3050:25 Unique 2.23, 3.35 A)
&rst
ixpk= 3050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1785,1786,
igr2=1780,1781,
&end
#
# 115 GLN HA 115 GLN HG+ 4.50 (# 3051:25 Unique 2.31, 2.79 A)
&rst
ixpk= 3051, nxpk= 25, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1780,1781,
&end
#
# 115 GLN HA 115 GLN HG- 3.50 (# 3052:25 Unique 2.31, 2.79 A)
&rst
ixpk= 3052, nxpk= 25, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1780,1781,
&end
#
# 111 LEU MDY 115 GLN HG+ 5.50 (# 3053:25 Unique 2.73, 6.71 A)
&rst
ixpk= 3053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1780,1781,
&end
#
# 111 LEU MDY 115 GLN HG- 5.50 (# 3054:25 Unique 2.73, 6.71 A)
&rst
ixpk= 3054, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1724,1725,1726,1728,1729,1730,
igr2=1780,1781,
&end
#
# 116 ILE HN 115 GLN HG+ 5.50 (# 3055:25 Unique 4.33, 4.84 A)
&rst
ixpk= 3055, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1780,1781,
&end
#
# 117 ARG HN 116 ILE HB 5.50 (# 3056:25 Unique 3.88, 4.42 A)
&rst
ixpk= 3056, nxpk= 25, iat=1809,1794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ILE HN 116 ILE HB 3.50 (# 3058:25 Unique 2.47, 2.59 A)
&rst
ixpk= 3058, nxpk= 25, iat=1790,1794, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 GLY HA+ 116 ILE HB 5.50 (# 3059:25 Unique 4.69, 5.35 A)
&rst
ixpk= 3059, nxpk= 25, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2087,2088,
&end
#
# 116 ILE HA 116 ILE HB 3.50 (# 3060:25 Unique 3.02, 3.03 A)
&rst
ixpk= 3060, nxpk= 25, iat=1792,1794, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ALA HA 116 ILE HB 3.50 (# 3061:25 Unique 2.11, 2.30 A)
&rst
ixpk= 3061, nxpk= 25, iat=1750,1794, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 ILE HG1+ 116 ILE HB 2.80 (# 3062:25 Unique 2.56, 2.83 A)
&rst
ixpk= 3062, nxpk= 25, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1800,1801,
&end
#
# 0 AMB 25-2:3063 116 ILE HB 2.80 (# 3063:25 Single Ambig)
&rst
ixpk= 3063, nxpk= 25, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1803,1804,1805,1796,1797,1798,
&end
#
# 117 ARG HN 116 ILE HA 3.50 (# 3064:25 Unique 2.07, 2.25 A)
&rst
ixpk= 3064, nxpk= 25, iat=1809,1792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 ALA HN 116 ILE HA 5.50 (# 3065:25 Unique 3.94, 4.96 A)
&rst
ixpk= 3065, nxpk= 25, iat=2092,1792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HN 116 ILE HA 4.50 (# 3066:25 Unique 3.53, 4.10 A)
&rst
ixpk= 3066, nxpk= 25, iat=2066,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 ILE HN 116 ILE HA 5.50 (# 3068:25 Unique 2.87, 2.92 A)
&rst
ixpk= 3068, nxpk= 25, iat=1790,1792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 GLY HA+ 116 ILE HA 4.50 (# 3069:25 Unique 2.56, 3.09 A)
&rst
ixpk= 3069, nxpk= 25, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2087,2088,
&end
#
# 0 AMB 25-2:3071 116 ILE HA 3.50 (# 3071:25 Single Ambig)
&rst
ixpk= 3071, nxpk= 25, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1800,1801,1794,1837,1838,1816,1817,
&end
#
# 116 ILE QG2 116 ILE HA 2.80 (# 3072:25 Unique 2.39, 3.10 A)
&rst
ixpk= 3072, nxpk= 25, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1796,1797,1798,
&end
#
# 116 ILE HN 116 ILE HG1- 4.50 (# 3073:25 Unique 2.25, 3.11 A)
&rst
ixpk= 3073, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1800,1801,
&end
#
# 116 ILE HN 116 ILE HG1+ 5.50 (# 3074:25 Unique 2.25, 3.11 A)
&rst
ixpk= 3074, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1800,1801,
&end
#
# 116 ILE HA 116 ILE HG1- 4.50 (# 3075:25 Unique 2.60, 2.82 A)
&rst
ixpk= 3075, nxpk= 25, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1800,1801,
&end
#
# 116 ILE HA 116 ILE HG1+ 5.50 (# 3076:25 Unique 2.60, 2.82 A)
&rst
ixpk= 3076, nxpk= 25, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1800,1801,
&end
#
# 0 AMB 25-2:3077 116 ILE HG1- 2.80 (# 3077:25 Single Ambig)
&rst
ixpk= 3077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1796,1797,1798,1803,1804,1805,1724,1725,1726,1728,
1729,1730,
igr2=1800,1801,
&end
#
# 144 LEU MDX 116 ILE HG1- 5.50 (# 3078:25 Unique 2.23, 4.64 A)
&rst
ixpk= 3078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1800,1801,
&end
#
# 117 ARG HN 116 ILE QG2 4.50 (# 3079:25 Unique 2.44, 4.41 A)
&rst
ixpk= 3079, nxpk= 25, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1796,1797,1798,
&end
#
# 134 LEU HN 116 ILE QG2 4.50 (# 3080:25 Unique 2.92, 4.48 A)
&rst
ixpk= 3080, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1796,1797,1798,
&end
#
# 116 ILE HN 116 ILE QG2 4.50 (# 3081:25 Unique 4.42, 4.65 A)
&rst
ixpk= 3081, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1796,1797,1798,
&end
#
# 134 LEU HA 116 ILE QG2 5.50 (# 3082:25 Unique 3.31, 5.20 A)
&rst
ixpk= 3082, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1796,1797,1798,
&end
#
# 135 GLY HA+ 116 ILE QG2 5.50 (# 3083:25 Unique 3.39, 5.23 A)
&rst
ixpk= 3083, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2087,2088,
igr2=1796,1797,1798,
&end
#
# 0 AMB 25-2:3084 116 ILE QG2 3.50 (# 3084:25 Single Ambig)
&rst
ixpk= 3084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1792,1811,
igr2=1796,1797,1798,
&end
#
# 0 AMB 25-2:3086 116 ILE QG2 5.50 (# 3086:25 Single Ambig)
&rst
ixpk= 3086, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2221,1736,2240,
igr2=1796,1797,1798,
&end
#
# 0 AMB 25-2:3087 116 ILE QG2 3.50 (# 3087:25 Single Ambig)
&rst
ixpk= 3087, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2061,2062,2061,2062,
igr2=1796,1797,1798,
&end
#
# 0 AMB 25-2:3089 116 ILE QG2 2.80 (# 3089:25 Single Ambig)
&rst
ixpk= 3089, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1800,1801,1794,
igr2=1796,1797,1798,
&end
#
# 0 AMB 25-2:3090 116 ILE QG2 4.50 (# 3090:25 Single Ambig)
&rst
ixpk= 3090, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1752,1753,1754,2070,2071,
igr2=1796,1797,1798,
&end
#
# 119 ALA MB 116 ILE QG2 5.50 (# 3091:25 Unique 6.16, 8.47 A)
&rst
ixpk= 3091, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1851,1852,1853,
igr2=1796,1797,1798,
&end
#
# 144 LEU MDX 116 ILE QG2 3.50 (# 3092:25 Unique 2.19, 4.97 A)
&rst
ixpk= 3092, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1796,1797,1798,
&end
#
# 117 ARG HN 116 ILE QD1 5.50 (# 3093:25 Unique 5.53, 6.67 A)
&rst
ixpk= 3093, nxpk= 25, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1803,1804,1805,
&end
#
# 0 AMB 25-2:3094 116 ILE QD1 5.50 (# 3094:25 Single Ambig)
&rst
ixpk= 3094, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1734,1715,
igr2=1803,1804,1805,
&end
#
# 113 ALA HN 116 ILE QD1 5.50 (# 3095:25 Unique 3.53, 5.41 A)
&rst
ixpk= 3095, nxpk= 25, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1803,1804,1805,
&end
#
# 17 GLN HN 116 ILE QD1 5.50 (# 3096:25 Unique 4.13, 5.37 A)
&rst
ixpk= 3096, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1803,1804,1805,
&end
#
# 116 ILE HN 116 ILE QD1 3.50 (# 3097:25 Unique 3.64, 4.40 A)
&rst
ixpk= 3097, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1803,1804,1805,
&end
#
# 19 PHE HE 116 ILE QD1 4.50 (# 3098:25 Unique 2.45, 4.32 A)
&rst
ixpk= 3098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 268, 272,
igr2=1803,1804,1805,
&end
#
# 0 AMB 25-2:3100 116 ILE QD1 5.50 (# 3100:25 Single Ambig)
&rst
ixpk= 3100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1717,2068, 245,
igr2=1803,1804,1805,
&end
#
# 135 GLY HA+ 116 ILE QD1 5.50 (# 3101:25 Unique 4.14, 5.57 A)
&rst
ixpk= 3101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2087,2088,
igr2=1803,1804,1805,
&end
#
# 112 THR HA 116 ILE QD1 5.50 (# 3102:25 Unique 3.21, 4.99 A)
&rst
ixpk= 3102, nxpk= 25, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1803,1804,1805,
&end
#
# 0 AMB 25-2:3103 116 ILE QD1 4.50 (# 3103:25 Single Ambig)
&rst
ixpk= 3103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 210,1792, 228,
igr2=1803,1804,1805,
&end
#
# 113 ALA HA 116 ILE QD1 4.50 (# 3104:25 Unique 2.50, 4.35 A)
&rst
ixpk= 3104, nxpk= 25, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1803,1804,1805,
&end
#
# 14 PRO HG+ 116 ILE QD1 5.50 (# 3106:25 Unique 2.53, 6.31 A)
&rst
ixpk= 3106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 198, 199,
igr2=1803,1804,1805,
&end
#
# 0 AMB 25-2:3107 116 ILE QD1 4.50 (# 3107:25 Single Ambig)
&rst
ixpk= 3107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 198, 199, 201, 202, 230, 231,
igr2=1803,1804,1805,
&end
#
# 0 AMB 25-2:3108 116 ILE QD1 2.80 (# 3108:25 Single Ambig)
&rst
ixpk= 3108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1719,1720,1719,1720,1794,1800,1801,
igr2=1803,1804,1805,
&end
#
# 144 LEU HB+ 116 ILE QD1 3.50 (# 3109:25 Unique 4.16, 5.57 A)
&rst
ixpk= 3109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2223,2224,
igr2=1803,1804,1805,
&end
#
# 144 LEU HG 116 ILE QD1 4.50 (# 3110:25 Unique 2.27, 4.05 A)
&rst
ixpk= 3110, nxpk= 25, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1803,1804,1805,
&end
#
# 144 LEU MDX 116 ILE QD1 3.50 (# 3111:25 Unique 2.41, 4.63 A)
&rst
ixpk= 3111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2228,2229,2230,2232,2233,2234,
igr2=1803,1804,1805,
&end
#
# 134 LEU HN 118 PRO HA 5.50 (# 3113:25 Unique 4.68, 4.88 A)
&rst
ixpk= 3113, nxpk= 25, iat=2066,1843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ALA HN 118 PRO HA 2.80 (# 3114:25 Unique 2.47, 2.59 A)
&rst
ixpk= 3114, nxpk= 25, iat=1847,1843, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:3115 118 PRO HA 5.50 (# 3115:25 Single Ambig)
&rst
ixpk= 3115, nxpk= 25, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2061,2062,2061,2062,
&end
#
# 118 PRO HD+ 118 PRO HA 5.50 (# 3116:25 Unique 3.26, 3.81 A)
&rst
ixpk= 3116, nxpk= 25, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1834,1835,
&end
#
# 118 PRO HD- 118 PRO HA 5.50 (# 3117:25 Unique 3.26, 3.81 A)
&rst
ixpk= 3117, nxpk= 25, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1834,1835,
&end
#
# 118 PRO HB+ 118 PRO HA 2.80 (# 3118:25 Unique 2.26, 2.53 A)
&rst
ixpk= 3118, nxpk= 25, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1840,1841,
&end
#
# 118 PRO HG+ 118 PRO HA 3.50 (# 3119:25 Unique 3.79, 3.97 A)
&rst
ixpk= 3119, nxpk= 25, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1837,1838,
&end
#
# 118 PRO HB- 118 PRO HA 3.50 (# 3120:25 Unique 2.26, 2.53 A)
&rst
ixpk= 3120, nxpk= 25, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1840,1841,
&end
#
# 119 ALA HN 118 PRO HB+ 3.50 (# 3122:25 Unique 2.14, 2.84 A)
&rst
ixpk= 3122, nxpk= 25, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1840,1841,
&end
#
# 119 ALA HN 118 PRO HB- 3.50 (# 3123:25 Unique 2.14, 2.84 A)
&rst
ixpk= 3123, nxpk= 25, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1840,1841,
&end
#
# 118 PRO HA 118 PRO HB- 3.50 (# 3124:25 Unique 2.26, 2.53 A)
&rst
ixpk= 3124, nxpk= 25, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1840,1841,
&end
#
# 118 PRO HA 118 PRO HB+ 2.80 (# 3125:25 Unique 2.26, 2.53 A)
&rst
ixpk= 3125, nxpk= 25, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1840,1841,
&end
#
# 0 AMB 25-2:3126 118 PRO HB- 5.50 (# 3126:25 Single Ambig)
&rst
ixpk= 3126, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2061,2062,2061,2062,
igr2=1840,1841,
&end
#
# 118 PRO HD+ 118 PRO HB- 4.50 (# 3127:25 Unique 2.67, 3.66 A)
&rst
ixpk= 3127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1834,1835,
igr2=1840,1841,
&end
#
# 118 PRO HD- 118 PRO HB- 4.50 (# 3128:25 Unique 2.67, 3.66 A)
&rst
ixpk= 3128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1834,1835,
igr2=1840,1841,
&end
#
# 33 ILE HA 36 VAL HB 4.50 (# 3129:25 Unique 2.86, 3.43 A)
&rst
ixpk= 3129, nxpk= 25, iat= 476, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3130 0 AMB 25-1:3130 3.50 (# 3130:25 Double Ambig)
&rst
ixpk= 3130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1834,1835, 536,
igr2=1840,1841, 538,
&end
#
# 118 PRO HD- 118 PRO HB+ 5.50 (# 3131:25 Unique 2.67, 3.66 A)
&rst
ixpk= 3131, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1834,1835,
igr2=1840,1841,
&end
#
# 119 ALA HN 119 ALA HA 4.50 (# 3134:25 Unique 2.89, 2.91 A)
&rst
ixpk= 3134, nxpk= 25, iat=1847,1849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PRO HD+ 119 ALA HA 3.50 (# 3137:25 Unique 1.95, 2.59 A)
&rst
ixpk= 3137, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1858,1859,
&end
#
# 120 PRO HD- 119 ALA HA 3.50 (# 3138:25 Unique 1.95, 2.59 A)
&rst
ixpk= 3138, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1858,1859,
&end
#
# 120 PRO HG+ 119 ALA HA 4.50 (# 3139:25 Unique 4.12, 4.64 A)
&rst
ixpk= 3139, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1861,1862,
&end
#
# 134 LEU HG 119 ALA HA 3.50 (# 3140:25 Unique 2.29, 2.75 A)
&rst
ixpk= 3140, nxpk= 25, iat=2073,1849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LEU HB- 119 ALA HA 5.50 (# 3141:25 Unique 2.76, 3.90 A)
&rst
ixpk= 3141, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2070,2071,
&end
#
# 143 ILE QG2 119 ALA HA 4.50 (# 3142:25 Unique 4.38, 5.66 A)
&rst
ixpk= 3142, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2206,2207,2208,
&end
#
# 0 AMB 25-2:3143 119 ALA HA 3.50 (# 3143:25 Single Ambig)
&rst
ixpk= 3143, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 119 ALA MB 119 ALA HA 2.80 (# 3144:25 Unique 2.46, 2.68 A)
&rst
ixpk= 3144, nxpk= 25, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1851,1852,1853,
&end
#
# 132 THR HN 119 ALA MB 5.50 (# 3145:25 Unique 5.13, 6.37 A)
&rst
ixpk= 3145, nxpk= 25, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1851,1852,1853,
&end
#
# 134 LEU HN 119 ALA MB 5.50 (# 3146:25 Unique 3.93, 4.83 A)
&rst
ixpk= 3146, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1851,1852,1853,
&end
#
# 119 ALA HN 119 ALA MB 2.80 (# 3147:25 Unique 2.82, 3.40 A)
&rst
ixpk= 3147, nxpk= 25, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1851,1852,1853,
&end
#
# 133 GLY HN 119 ALA MB 5.50 (# 3148:25 Unique 4.48, 5.58 A)
&rst
ixpk= 3148, nxpk= 25, iat=2059, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1851,1852,1853,
&end
#
# 0 AMB 25-2:3149 119 ALA MB 5.50 (# 3149:25 Single Ambig)
&rst
ixpk= 3149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2047,1792,
igr2=1851,1852,1853,
&end
#
# 0 AMB 25-2:3150 119 ALA MB 2.80 (# 3150:25 Single Ambig)
&rst
ixpk= 3150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2061,2062,2061,2062,1849,
igr2=1851,1852,1853,
&end
#
# 120 PRO HD+ 119 ALA MB 4.50 (# 3151:25 Unique 2.07, 3.63 A)
&rst
ixpk= 3151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1858,1859,
igr2=1851,1852,1853,
&end
#
# 120 PRO HD- 119 ALA MB 3.50 (# 3152:25 Unique 2.07, 3.63 A)
&rst
ixpk= 3152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1858,1859,
igr2=1851,1852,1853,
&end
#
# 0 AMB 25-2:3153 119 ALA MB 4.50 (# 3153:25 Single Ambig)
&rst
ixpk= 3153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1861,1862,2033,2030,2031,1864,1865,
igr2=1851,1852,1853,
&end
#
# 0 AMB 25-2:3154 119 ALA MB 4.50 (# 3154:25 Single Ambig)
&rst
ixpk= 3154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2030,2031,2073,1864,1865,
igr2=1851,1852,1853,
&end
#
# 143 ILE QG2 119 ALA MB 4.50 (# 3155:25 Unique 5.26, 7.16 A)
&rst
ixpk= 3155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2206,2207,2208,
igr2=1851,1852,1853,
&end
#
# 0 AMB 25-2:3156 119 ALA MB 2.80 (# 3156:25 Single Ambig)
&rst
ixpk= 3156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
igr2=1851,1852,1853,
&end
#
# 121 GLU HN 120 PRO HA 3.50 (# 3157:25 Unique 2.06, 2.47 A)
&rst
ixpk= 3157, nxpk= 25, iat=1871,1867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 PHE HN 120 PRO HA 5.50 (# 3158:25 Unique 3.60, 3.83 A)
&rst
ixpk= 3158, nxpk= 25, iat=1886,1867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 GLU HG+ 120 PRO HA 5.50 (# 3159:25 Unique 3.58, 4.64 A)
&rst
ixpk= 3159, nxpk= 25, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1878,1879,
&end
#
# 0 AMB 25-2:3161 120 PRO HA 2.80 (# 3161:25 Single Ambig)
&rst
ixpk= 3161, nxpk= 25, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1864,1865,1861,1862,
&end
#
# 120 PRO HB- 120 PRO HA 3.50 (# 3162:25 Unique 2.26, 2.58 A)
&rst
ixpk= 3162, nxpk= 25, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1864,1865,
&end
#
# 0 AMB 25-2:3163 120 PRO HA 4.50 (# 3163:25 Single Ambig)
&rst
ixpk= 3163, nxpk= 25, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 120 PRO HD+ 120 PRO HA 5.50 (# 3164:25 Unique 3.38, 3.76 A)
&rst
ixpk= 3164, nxpk= 25, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 120 PRO HD- 120 PRO HA 5.50 (# 3165:25 Unique 3.38, 3.76 A)
&rst
ixpk= 3165, nxpk= 25, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 121 GLU HN 120 PRO HB+ 5.50 (# 3166:25 Unique 1.79, 3.41 A)
&rst
ixpk= 3166, nxpk= 25, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 121 GLU HN 120 PRO HB- 5.50 (# 3167:25 Unique 1.79, 3.41 A)
&rst
ixpk= 3167, nxpk= 25, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 122 PHE HN 120 PRO HB+ 5.50 (# 3168:25 Unique 2.30, 3.39 A)
&rst
ixpk= 3168, nxpk= 25, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1864,1865,
&end
#
# 122 PHE HN 120 PRO HB- 4.50 (# 3169:25 Unique 2.30, 3.39 A)
&rst
ixpk= 3169, nxpk= 25, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1864,1865,
&end
#
# 120 PRO HA 120 PRO HB+ 3.50 (# 3170:25 Unique 2.26, 2.58 A)
&rst
ixpk= 3170, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1864,1865,
&end
#
# 120 PRO HA 120 PRO HB- 3.50 (# 3171:25 Unique 2.26, 2.58 A)
&rst
ixpk= 3171, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1864,1865,
&end
#
# 120 PRO HD+ 120 PRO HB+ 4.50 (# 3172:25 Unique 2.74, 3.67 A)
&rst
ixpk= 3172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1858,1859,
igr2=1864,1865,
&end
#
# 120 PRO HD+ 120 PRO HB- 5.50 (# 3173:25 Unique 2.74, 3.67 A)
&rst
ixpk= 3173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1858,1859,
igr2=1864,1865,
&end
#
# 120 PRO HD- 120 PRO HB+ 5.50 (# 3174:25 Unique 2.74, 3.67 A)
&rst
ixpk= 3174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1858,1859,
igr2=1864,1865,
&end
#
# 120 PRO HD- 120 PRO HB- 5.50 (# 3175:25 Unique 2.74, 3.67 A)
&rst
ixpk= 3175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1858,1859,
igr2=1864,1865,
&end
#
# 0 AMB 25-2:3176 120 PRO HB- 5.50 (# 3176:25 Single Ambig)
&rst
ixpk= 3176, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=1864,1865,
&end
#
# 0 AMB 25-2:3177 0 AMB 25-1:3177 3.50 (# 3177:25 Double Ambig)
&rst
ixpk= 3177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=1864,1865,1864,1865,
&end
#
# 120 PRO HA 120 PRO HG+ 4.50 (# 3178:25 Unique 2.71, 3.74 A)
&rst
ixpk= 3178, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1861,1862,
&end
#
# 0 AMB 25-2:3179 0 AMB 25-1:3179 4.50 (# 3179:25 Double Ambig)
&rst
ixpk= 3179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2049,1873,
igr2=1861,1862,1861,1862,
&end
#
# 120 PRO HA 120 PRO HG- 4.50 (# 3180:25 Unique 2.71, 3.74 A)
&rst
ixpk= 3180, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1861,1862,
&end
#
# 0 AMB 25-2:3181 120 PRO HG- 4.50 (# 3181:25 Single Ambig)
&rst
ixpk= 3181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2049,1873,
igr2=1861,1862,
&end
#
# 120 PRO HD+ 120 PRO HG+ 4.50 (# 3182:25 Unique 2.21, 2.61 A)
&rst
ixpk= 3182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1858,1859,
igr2=1861,1862,
&end
#
# 120 PRO HD+ 120 PRO HG- 4.50 (# 3183:25 Unique 2.21, 2.61 A)
&rst
ixpk= 3183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1858,1859,
igr2=1861,1862,
&end
#
# 120 PRO HD- 120 PRO HG+ 4.50 (# 3184:25 Unique 2.21, 2.61 A)
&rst
ixpk= 3184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1858,1859,
igr2=1861,1862,
&end
#
# 120 PRO HD- 120 PRO HG- 4.50 (# 3185:25 Unique 2.21, 2.61 A)
&rst
ixpk= 3185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1858,1859,
igr2=1861,1862,
&end
#
# 0 AMB 25-2:3186 0 AMB 25-1:3186 2.80 (# 3186:25 Double Ambig)
&rst
ixpk= 3186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2206,2207,2208, 456, 457, 458,
igr2=1861,1862, 453, 454,
&end
#
# 120 PRO HA 120 PRO HD+ 5.50 (# 3187:25 Unique 3.38, 3.76 A)
&rst
ixpk= 3187, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1858,1859,
&end
#
# 120 PRO HA 120 PRO HD- 5.50 (# 3188:25 Unique 3.38, 3.76 A)
&rst
ixpk= 3188, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1858,1859,
&end
#
# 0 AMB 25-2:3189 0 AMB 25-1:3189 3.50 (# 3189:25 Double Ambig)
&rst
ixpk= 3189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1849,2061,2062,
igr2=1858,1859,1858,1859,
&end
#
# 0 AMB 25-2:3190 120 PRO HD- 3.50 (# 3190:25 Single Ambig)
&rst
ixpk= 3190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1849,2061,2062,
igr2=1858,1859,
&end
#
# 0 AMB 25-2:3191 0 AMB 25-1:3191 3.50 (# 3191:25 Double Ambig)
&rst
ixpk= 3191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1861,1862,1861,1862,1864,1865,
igr2=1858,1859,1858,1859,1858,1859,
&end
#
# 0 AMB 25-2:3192 120 PRO HD- 3.50 (# 3192:25 Single Ambig)
&rst
ixpk= 3192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1861,1862,1864,1865,
igr2=1858,1859,
&end
#
# 134 LEU HB- 120 PRO HD+ 5.50 (# 3193:25 Unique 2.16, 4.37 A)
&rst
ixpk= 3193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2070,2071,
igr2=1858,1859,
&end
#
# 134 LEU HB- 120 PRO HD- 5.50 (# 3194:25 Unique 2.16, 4.37 A)
&rst
ixpk= 3194, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2070,2071,
igr2=1858,1859,
&end
#
# 0 AMB 25-2:3195 0 AMB 25-1:3195 4.50 (# 3195:25 Double Ambig)
&rst
ixpk= 3195, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2073,1864,1865,2030,2031,
igr2=1858,1859,1858,1859,1858,1859,
&end
#
# 0 AMB 25-2:3196 120 PRO HD- 4.50 (# 3196:25 Single Ambig)
&rst
ixpk= 3196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2073,1864,1865,2030,2031,
igr2=1858,1859,
&end
#
# 119 ALA MB 120 PRO HD+ 4.50 (# 3197:25 Unique 2.07, 3.63 A)
&rst
ixpk= 3197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1851,1852,1853,
igr2=1858,1859,
&end
#
# 119 ALA MB 120 PRO HD- 4.50 (# 3198:25 Unique 2.07, 3.63 A)
&rst
ixpk= 3198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1851,1852,1853,
igr2=1858,1859,
&end
#
# 0 AMB 25-2:3199 0 AMB 25-1:3199 4.50 (# 3199:25 Double Ambig)
&rst
ixpk= 3199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,2035,2036,2037,2039,2040,2041,
igr2=1858,1859,1858,1859,1858,1859,
&end
#
# 0 AMB 25-2:3200 120 PRO HD- 3.50 (# 3200:25 Single Ambig)
&rst
ixpk= 3200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,2035,2036,2037,2039,2040,2041,
igr2=1858,1859,
&end
#
# 135 GLY HA+ 118 PRO HD+ 3.50 (# 3201:25 Unique 3.32, 5.01 A)
&rst
ixpk= 3201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2087,2088,
igr2=1834,1835,
&end
#
# 135 GLY HA+ 118 PRO HD- 3.50 (# 3202:25 Unique 3.32, 5.01 A)
&rst
ixpk= 3202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2087,2088,
igr2=1834,1835,
&end
#
# 0 AMB 25-2:3203 118 PRO HD- 5.50 (# 3203:25 Single Ambig)
&rst
ixpk= 3203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1792,1843,
igr2=1834,1835,
&end
#
# 0 AMB 25-2:3204 0 AMB 25-1:3204 4.50 (# 3204:25 Double Ambig)
&rst
ixpk= 3204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1792,1843,
igr2=1834,1835,1834,1835,
&end
#
# 118 PRO HB+ 118 PRO HD+ 4.50 (# 3205:25 Unique 2.67, 3.66 A)
&rst
ixpk= 3205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1840,1841,
igr2=1834,1835,
&end
#
# 118 PRO HB+ 118 PRO HD- 5.50 (# 3206:25 Unique 2.67, 3.66 A)
&rst
ixpk= 3206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1840,1841,
igr2=1834,1835,
&end
#
# 118 PRO HG+ 118 PRO HD+ 2.80 (# 3207:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1837,1838,
igr2=1834,1835,
&end
#
# 118 PRO HG+ 118 PRO HD- 2.80 (# 3208:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3208, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1837,1838,
igr2=1834,1835,
&end
#
# 118 PRO HG- 118 PRO HD+ 3.50 (# 3209:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1837,1838,
igr2=1834,1835,
&end
#
# 118 PRO HG- 118 PRO HD- 2.80 (# 3210:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1837,1838,
igr2=1834,1835,
&end
#
# 117 ARG HN 118 PRO HG+ 5.50 (# 3211:25 Unique 3.10, 3.86 A)
&rst
ixpk= 3211, nxpk= 25, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1837,1838,
&end
#
# 117 ARG HN 118 PRO HG- 5.50 (# 3212:25 Unique 3.10, 3.86 A)
&rst
ixpk= 3212, nxpk= 25, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1837,1838,
&end
#
# 135 GLY HA+ 118 PRO HG+ 4.50 (# 3213:25 Unique 2.80, 4.81 A)
&rst
ixpk= 3213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2087,2088,
igr2=1837,1838,
&end
#
# 135 GLY HA+ 118 PRO HG- 4.50 (# 3214:25 Unique 2.80, 4.81 A)
&rst
ixpk= 3214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2087,2088,
igr2=1837,1838,
&end
#
# 118 PRO HD+ 118 PRO HG+ 4.50 (# 3215:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1834,1835,
igr2=1837,1838,
&end
#
# 118 PRO HD+ 118 PRO HG- 5.50 (# 3216:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1834,1835,
igr2=1837,1838,
&end
#
# 118 PRO HD- 118 PRO HG+ 4.50 (# 3217:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1834,1835,
igr2=1837,1838,
&end
#
# 118 PRO HD- 118 PRO HG- 5.50 (# 3218:25 Unique 2.17, 2.55 A)
&rst
ixpk= 3218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1834,1835,
igr2=1837,1838,
&end
#
# 0 AMB 25-2:3221 0 AMB 25-1:3221 5.50 (# 3221:25 Double Ambig)
&rst
ixpk= 3221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1800,1801,2210,2211,
igr2=1837,1838,1837,1838,
&end
#
# 134 LEU HB+ 118 PRO HG+ 5.50 (# 3223:25 Unique 2.17, 5.21 A)
&rst
ixpk= 3223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2070,2071,
igr2=1837,1838,
&end
#
# 121 GLU HN 121 GLU HA 3.50 (# 3224:25 Unique 2.23, 2.76 A)
&rst
ixpk= 3224, nxpk= 25, iat=1871,1873, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 PHE HN 121 GLU HA 3.50 (# 3225:25 Unique 2.60, 3.08 A)
&rst
ixpk= 3225, nxpk= 25, iat=1886,1873, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 GLU HG+ 121 GLU HA 3.50 (# 3226:25 Unique 2.15, 2.91 A)
&rst
ixpk= 3226, nxpk= 25, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1878,1879,
&end
#
# 121 GLU HG- 121 GLU HA 3.50 (# 3227:25 Unique 2.15, 2.91 A)
&rst
ixpk= 3227, nxpk= 25, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1878,1879,
&end
#
# 121 GLU HB+ 121 GLU HA 2.80 (# 3228:25 Unique 2.40, 2.78 A)
&rst
ixpk= 3228, nxpk= 25, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1875,1876,
&end
#
# 121 GLU HB- 121 GLU HA 2.80 (# 3229:25 Unique 2.40, 2.78 A)
&rst
ixpk= 3229, nxpk= 25, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1875,1876,
&end
#
# 126 LEU HG 121 GLU HA 5.50 (# 3231:25 Unique 4.59, 8.75 A)
&rst
ixpk= 3231, nxpk= 25, iat=1953,1873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 GLU HN 121 GLU HG+ 3.50 (# 3233:25 Unique 2.19, 3.44 A)
&rst
ixpk= 3233, nxpk= 25, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1878,1879,
&end
#
# 121 GLU HN 121 GLU HG- 4.50 (# 3234:25 Unique 2.19, 3.44 A)
&rst
ixpk= 3234, nxpk= 25, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1878,1879,
&end
#
# 121 GLU HA 121 GLU HG+ 3.50 (# 3235:25 Unique 2.15, 2.91 A)
&rst
ixpk= 3235, nxpk= 25, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1878,1879,
&end
#
# 121 GLU HA 121 GLU HG- 3.50 (# 3236:25 Unique 2.15, 2.91 A)
&rst
ixpk= 3236, nxpk= 25, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1878,1879,
&end
#
# 0 AMB 25-2:3237 0 AMB 25-1:3237 2.80 (# 3237:25 Double Ambig)
&rst
ixpk= 3237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1861,1862,1875,1876,
igr2=1878,1879,1878,1879,
&end
#
# 0 AMB 25-2:3238 121 GLU HG- 2.80 (# 3238:25 Single Ambig)
&rst
ixpk= 3238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1861,1862,1875,1876,
igr2=1878,1879,
&end
#
# 123 ALA HN 122 PHE HA 4.50 (# 3239:25 Unique 2.32, 2.70 A)
&rst
ixpk= 3239, nxpk= 25, iat=1906,1888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 PHE HN 122 PHE HA 5.50 (# 3240:25 Unique 2.22, 2.80 A)
&rst
ixpk= 3240, nxpk= 25, iat=1886,1888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3241 122 PHE HA 2.80 (# 3241:25 Single Ambig)
&rst
ixpk= 3241, nxpk= 25, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1890,1891,1890,1891,
&end
#
# 124 VAL MGX 122 PHE HA 4.50 (# 3242:25 Unique 2.67, 6.09 A)
&rst
ixpk= 3242, nxpk= 25, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1922,1923,1924,1926,1927,1928,
&end
#
# 123 ALA HN 123 ALA HA 2.80 (# 3245:25 Unique 2.21, 2.74 A)
&rst
ixpk= 3245, nxpk= 25, iat=1906,1908, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 VAL HN 123 ALA HA 2.80 (# 3246:25 Unique 2.18, 2.57 A)
&rst
ixpk= 3246, nxpk= 25, iat=1916,1908, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 ALA MB 123 ALA HA 2.80 (# 3247:25 Unique 2.44, 2.66 A)
&rst
ixpk= 3247, nxpk= 25, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1910,1911,1912,
&end
#
# 0 AMB 25-2:3248 123 ALA HA 4.50 (# 3248:25 Single Ambig)
&rst
ixpk= 3248, nxpk= 25, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,
&end
#
# 124 VAL HN 123 ALA MB 4.50 (# 3249:25 Unique 2.73, 4.37 A)
&rst
ixpk= 3249, nxpk= 25, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1910,1911,1912,
&end
#
# 123 ALA HN 123 ALA MB 2.80 (# 3250:25 Unique 2.43, 3.03 A)
&rst
ixpk= 3250, nxpk= 25, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1910,1911,1912,
&end
#
# 123 ALA HA 123 ALA MB 2.80 (# 3253:25 Unique 2.44, 2.66 A)
&rst
ixpk= 3253, nxpk= 25, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1910,1911,1912,
&end
#
# 0 AMB 25-2:3254 123 ALA MB 5.50 (# 3254:25 Single Ambig)
&rst
ixpk= 3254, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1890,1891,1890,1891,
igr2=1910,1911,1912,
&end
#
# 124 VAL MGY 123 ALA MB 4.50 (# 3256:25 Unique 3.50, 6.48 A)
&rst
ixpk= 3256, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1922,1923,1924,1926,1927,1928,
igr2=1910,1911,1912,
&end
#
# 125 THR HN 124 VAL HB 4.50 (# 3262:25 Unique 2.21, 2.57 A)
&rst
ixpk= 3262, nxpk= 25, iat=1932,1920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 VAL HN 124 VAL HB 4.50 (# 3263:25 Unique 3.38, 3.76 A)
&rst
ixpk= 3263, nxpk= 25, iat=1916,1920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 PHE HA 124 VAL HB 3.50 (# 3264:25 Unique 2.17, 2.88 A)
&rst
ixpk= 3264, nxpk= 25, iat=1177,1920, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 VAL HA 124 VAL HB 2.80 (# 3265:25 Unique 2.34, 2.51 A)
&rst
ixpk= 3265, nxpk= 25, iat=1918,1920, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:3266 124 VAL HB 2.80 (# 3266:25 Single Ambig)
&rst
ixpk= 3266, nxpk= 25, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,
&end
#
# 124 VAL HN 124 VAL MGY 5.50 (# 3267:25 Unique 1.92, 3.57 A)
&rst
ixpk= 3267, nxpk= 25, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 35 LYS HN 36 VAL MGY 5.50 (# 3268:25 Unique 3.30, 5.65 A)
&rst
ixpk= 3268, nxpk= 25, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 540, 541, 542, 544, 545, 546,
&end
#
# 0 AMB 25-2:3269 124 VAL MGY 5.50 (# 3269:25 Single Ambig)
&rst
ixpk= 3269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1946,1886,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 75 PHE HE 124 VAL MGY 5.50 (# 3270:25 Unique 2.28, 5.98 A)
&rst
ixpk= 3270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1185,1189,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 33 ILE HN 36 VAL MGY 5.50 (# 3271:25 Unique 4.66, 6.84 A)
&rst
ixpk= 3271, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 540, 541, 542, 544, 545, 546,
&end
#
# 125 THR HN 124 VAL MGX 4.50 (# 3272:25 Unique 2.06, 4.47 A)
&rst
ixpk= 3272, nxpk= 25, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 124 VAL HN 124 VAL MGX 3.50 (# 3273:25 Unique 1.92, 3.57 A)
&rst
ixpk= 3273, nxpk= 25, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:3274 124 VAL MGX 4.50 (# 3274:25 Single Ambig)
&rst
ixpk= 3274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1946,1886,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 75 PHE HA 124 VAL MGX 4.50 (# 3277:25 Unique 2.34, 4.41 A)
&rst
ixpk= 3277, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 124 VAL HA 124 VAL MGX 4.50 (# 3278:25 Unique 2.31, 3.51 A)
&rst
ixpk= 3278, nxpk= 25, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:3279 124 VAL MGX 5.50 (# 3279:25 Single Ambig)
&rst
ixpk= 3279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1908,1867,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:3280 124 VAL MGX 4.50 (# 3280:25 Single Ambig)
&rst
ixpk= 3280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1199,1200,1199,1200,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 124 VAL HB 124 VAL MGX 2.80 (# 3281:25 Unique 2.33, 2.65 A)
&rst
ixpk= 3281, nxpk= 25, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:3282 124 VAL MGX 3.50 (# 3282:25 Single Ambig)
&rst
ixpk= 3282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1875,1876,1864,1865,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 0 AMB 25-2:3283 124 VAL MGX 2.80 (# 3283:25 Single Ambig)
&rst
ixpk= 3283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1950,1951,1950,1951,1864,1865,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 143 ILE QD1 124 VAL MGX 5.50 (# 3284:25 Unique 4.07, 6.94 A)
&rst
ixpk= 3284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2213,2214,2215,
igr2=1922,1923,1924,1926,1927,1928,
&end
#
# 125 THR MG2 125 THR HA 3.50 (# 3285:25 Unique 2.34, 3.15 A)
&rst
ixpk= 3285, nxpk= 25, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1938,1939,1940,
&end
#
# 125 THR HB 125 THR HA 3.50 (# 3286:25 Unique 2.56, 3.01 A)
&rst
ixpk= 3286, nxpk= 25, iat=1936,1934, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 PHE HA 125 THR HA 5.50 (# 3287:25 Unique 2.30, 5.90 A)
&rst
ixpk= 3287, nxpk= 25, iat=1177,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LEU HN 125 THR HA 5.50 (# 3288:25 Unique 2.17, 3.50 A)
&rst
ixpk= 3288, nxpk= 25, iat=1946,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 THR HN 125 THR HA 5.50 (# 3289:25 Unique 2.24, 2.78 A)
&rst
ixpk= 3289, nxpk= 25, iat=1932,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 THR HN 125 THR HB 5.50 (# 3290:25 Unique 2.10, 2.61 A)
&rst
ixpk= 3290, nxpk= 25, iat=1932,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LEU HN 125 THR HB 5.50 (# 3291:25 Unique 2.12, 2.67 A)
&rst
ixpk= 3291, nxpk= 25, iat=1946,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 PHE HA 125 THR HB 4.50 (# 3293:25 Unique 2.23, 4.34 A)
&rst
ixpk= 3293, nxpk= 25, iat=1177,1936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3294 125 THR HB 3.50 (# 3294:25 Single Ambig)
&rst
ixpk= 3294, nxpk= 25, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1934,1136,1199,1200,1199,1200,
&end
#
# 125 THR MG2 125 THR HB 2.80 (# 3295:25 Unique 2.38, 2.65 A)
&rst
ixpk= 3295, nxpk= 25, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1938,1939,1940,
&end
#
# 0 AMB 25-2:3296 125 THR HB 5.50 (# 3296:25 Single Ambig)
&rst
ixpk= 3296, nxpk= 25, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,1140,1141,1142,
&end
#
# 146 ASN HN 132 THR MG2 5.50 (# 3297:25 Unique 1.75, 3.36 A)
&rst
ixpk= 3297, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2051,2052,2053,
&end
#
# 132 THR HN 132 THR MG2 4.50 (# 3298:25 Unique 2.03, 3.08 A)
&rst
ixpk= 3298, nxpk= 25, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2051,2052,2053,
&end
#
# 125 THR HN 125 THR MG2 5.50 (# 3299:25 Unique 2.22, 4.39 A)
&rst
ixpk= 3299, nxpk= 25, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1938,1939,1940,
&end
#
# 0 AMB 25-2:3300 132 THR MG2 5.50 (# 3300:25 Single Ambig)
&rst
ixpk= 3300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2238,2219,
igr2=2051,2052,2053,
&end
#
# 146 ASN HD2+ 132 THR MG2 5.50 (# 3301:25 Unique 5.19, 7.27 A)
&rst
ixpk= 3301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2263,2264,
igr2=2051,2052,2053,
&end
#
# 133 GLY HN 132 THR MG2 5.50 (# 3302:25 Unique 2.77, 4.40 A)
&rst
ixpk= 3302, nxpk= 25, iat=2059, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2051,2052,2053,
&end
#
# 126 LEU HN 125 THR MG2 4.50 (# 3303:25 Unique 2.76, 4.31 A)
&rst
ixpk= 3303, nxpk= 25, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1938,1939,1940,
&end
#
# 131 LEU HA 132 THR MG2 5.50 (# 3305:25 Unique 3.28, 4.77 A)
&rst
ixpk= 3305, nxpk= 25, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2051,2052,2053,
&end
#
# 146 ASN HA 132 THR MG2 4.50 (# 3306:25 Unique 2.97, 5.58 A)
&rst
ixpk= 3306, nxpk= 25, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2051,2052,2053,
&end
#
# 145 VAL HA 132 THR MG2 3.50 (# 3308:25 Unique 1.98, 2.86 A)
&rst
ixpk= 3308, nxpk= 25, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2051,2052,2053,
&end
#
# 132 THR HA 132 THR MG2 3.50 (# 3309:25 Unique 2.17, 3.15 A)
&rst
ixpk= 3309, nxpk= 25, iat=2047, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2051,2052,2053,
&end
#
# 125 THR HB 125 THR MG2 2.80 (# 3310:25 Unique 2.38, 2.65 A)
&rst
ixpk= 3310, nxpk= 25, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1938,1939,1940,
&end
#
# 132 THR HB 132 THR MG2 2.80 (# 3311:25 Unique 2.26, 2.67 A)
&rst
ixpk= 3311, nxpk= 25, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2051,2052,2053,
&end
#
# 0 AMB 25-2:3312 0 AMB 25-1:3312 5.50 (# 3312:25 Double Ambig)
&rst
ixpk= 3312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1179,1180,1179,1180,
igr2=2051,2052,2053,1938,1939,1940,
&end
#
# 146 ASN HB+ 132 THR MG2 5.50 (# 3313:25 Unique 2.95, 5.07 A)
&rst
ixpk= 3313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2258,2259,
igr2=2051,2052,2053,
&end
#
# 75 PHE HB- 0 AMB 25-1:3314 5.50 (# 3314:25 Single Ambig)
&rst
ixpk= 3314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1179,1180,
igr2=2051,2052,2053,1938,1939,1940,
&end
#
# 146 ASN HB- 132 THR MG2 4.50 (# 3315:25 Unique 2.95, 5.07 A)
&rst
ixpk= 3315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2258,2259,
igr2=2051,2052,2053,
&end
#
# 0 AMB 25-2:3316 132 THR MG2 5.50 (# 3316:25 Single Ambig)
&rst
ixpk= 3316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1166,1167,1166,1167,
igr2=2051,2052,2053,
&end
#
# 0 AMB 25-2:3317 0 AMB 25-1:3317 4.50 (# 3317:25 Double Ambig)
&rst
ixpk= 3317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1138,1861,1862,2033,
igr2=1938,1939,1940,2051,2052,2053,
&end
#
# 144 LEU HB+ 132 THR MG2 5.50 (# 3319:25 Unique 2.46, 6.44 A)
&rst
ixpk= 3319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2223,2224,
igr2=2051,2052,2053,
&end
#
# 0 AMB 25-2:3320 132 THR MG2 4.50 (# 3320:25 Single Ambig)
&rst
ixpk= 3320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2204,2331,2070,2071,2210,2211,2328,2329,
igr2=2051,2052,2053,
&end
#
# 0 AMB 25-2:3321 0 AMB 25-1:3321 4.50 (# 3321:25 Double Ambig)
&rst
ixpk= 3321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1950,1951,1950,1951,1950,1951,
igr2=2051,2052,2053,1938,1939,1940,
&end
#
# 126 LEU MDY 132 THR MG2 4.50 (# 3322:25 Unique 2.33, 6.27 A)
&rst
ixpk= 3322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1955,1956,1957,1959,1960,1961,
igr2=2051,2052,2053,
&end
#
# 126 LEU HN 126 LEU HA 4.50 (# 3324:25 Unique 2.17, 2.53 A)
&rst
ixpk= 3324, nxpk= 25, iat=1946,1948, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 SER HN 126 LEU HA 3.50 (# 3325:25 Unique 2.12, 2.49 A)
&rst
ixpk= 3325, nxpk= 25, iat=1965,1948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3327 126 LEU HA 3.50 (# 3327:25 Single Ambig)
&rst
ixpk= 3327, nxpk= 25, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1950,1951,1950,1951,
&end
#
# 0 AMB 25-2:3328 126 LEU HA 4.50 (# 3328:25 Single Ambig)
&rst
ixpk= 3328, nxpk= 25, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1953,1938,1939,1940,2051,2052,2053,
&end
#
# 126 LEU MDY 126 LEU HA 4.50 (# 3329:25 Unique 2.13, 4.00 A)
&rst
ixpk= 3329, nxpk= 25, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1955,1956,1957,1959,1960,1961,
&end
#
# 126 LEU MDX 126 LEU HA 4.50 (# 3330:25 Unique 2.13, 4.00 A)
&rst
ixpk= 3330, nxpk= 25, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1955,1956,1957,1959,1960,1961,
&end
#
# 126 LEU HA 0 AMB 25-1:3332 3.50 (# 3332:25 Single Ambig)
&rst
ixpk= 3332, nxpk= 25, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1950,1951,1950,1951,
&end
#
# 126 LEU HN 0 AMB 25-1:3333 4.50 (# 3333:25 Single Ambig)
&rst
ixpk= 3333, nxpk= 25, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1950,1951,1950,1951,
&end
#
# 0 AMB 25-2:3334 0 AMB 25-1:3334 5.50 (# 3334:25 Double Ambig)
&rst
ixpk= 3334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1965,1183,1191,
igr2=1950,1951,1950,1951,1950,1951,
&end
#
# 126 LEU HG 0 AMB 25-1:3335 2.80 (# 3335:25 Single Ambig)
&rst
ixpk= 3335, nxpk= 25, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1950,1951,1950,1951,
&end
#
# 126 LEU MDX 0 AMB 25-1:3336 3.50 (# 3336:25 Single Ambig)
&rst
ixpk= 3336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1955,1956,1957,1959,1960,1961,
igr2=1950,1951,1950,1951,
&end
#
# 126 LEU MDY 0 AMB 25-1:3337 3.50 (# 3337:25 Single Ambig)
&rst
ixpk= 3337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1955,1956,1957,1959,1960,1961,
igr2=1950,1951,1950,1951,
&end
#
# 126 LEU HN 126 LEU HG 5.50 (# 3338:25 Unique 2.29, 4.23 A)
&rst
ixpk= 3338, nxpk= 25, iat=1946,1953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LEU HA 126 LEU HG 4.50 (# 3339:25 Unique 2.46, 3.36 A)
&rst
ixpk= 3339, nxpk= 25, iat=1948,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3340 126 LEU HG 2.80 (# 3340:25 Single Ambig)
&rst
ixpk= 3340, nxpk= 25, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1950,1951,1950,1951,1864,1865,
&end
#
# 0 AMB 25-2:3341 126 LEU HG 4.50 (# 3341:25 Single Ambig)
&rst
ixpk= 3341, nxpk= 25, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 126 LEU MDX 126 LEU HG 3.50 (# 3342:25 Unique 2.32, 2.66 A)
&rst
ixpk= 3342, nxpk= 25, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1955,1956,1957,1959,1960,1961,
&end
#
# 126 LEU MDY 126 LEU HG 3.50 (# 3343:25 Unique 2.32, 2.66 A)
&rst
ixpk= 3343, nxpk= 25, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1955,1956,1957,1959,1960,1961,
&end
#
# 126 LEU HN 126 LEU MDY 4.50 (# 3344:25 Unique 2.08, 4.73 A)
&rst
ixpk= 3344, nxpk= 25, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 75 PHE HA 126 LEU MDY 5.50 (# 3348:25 Unique 2.53, 6.02 A)
&rst
ixpk= 3348, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 126 LEU HA 126 LEU MDY 4.50 (# 3349:25 Unique 2.13, 4.00 A)
&rst
ixpk= 3349, nxpk= 25, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3351 126 LEU MDY 2.80 (# 3351:25 Single Ambig)
&rst
ixpk= 3351, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1864,1865,2030,2031,1950,1951,1950,1951,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3352 126 LEU MDY 2.80 (# 3352:25 Single Ambig)
&rst
ixpk= 3352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1953,2051,2052,2053,1157,1158,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3353 126 LEU MDY 4.50 (# 3353:25 Single Ambig)
&rst
ixpk= 3353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3354 126 LEU MDY 5.50 (# 3354:25 Single Ambig)
&rst
ixpk= 3354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 74 LYS HD+ 126 LEU MDY 3.50 (# 3355:25 Unique 2.34, 6.13 A)
&rst
ixpk= 3355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1163,1164,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 126 LEU HA 126 LEU MDX 4.50 (# 3356:25 Unique 2.13, 4.00 A)
&rst
ixpk= 3356, nxpk= 25, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 75 PHE HA 126 LEU MDX 5.50 (# 3357:25 Unique 2.53, 6.02 A)
&rst
ixpk= 3357, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3361 126 LEU MDX 5.50 (# 3361:25 Single Ambig)
&rst
ixpk= 3361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1965,1183,1191,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 74 LYS HA 126 LEU MDX 5.50 (# 3362:25 Unique 2.24, 6.51 A)
&rst
ixpk= 3362, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3363 126 LEU MDX 2.80 (# 3363:25 Single Ambig)
&rst
ixpk= 3363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1864,1865,2030,2031,1950,1951,1950,1951,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3364 126 LEU MDX 2.80 (# 3364:25 Single Ambig)
&rst
ixpk= 3364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1953,2051,2052,2053,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 0 AMB 25-2:3365 126 LEU MDX 4.50 (# 3365:25 Single Ambig)
&rst
ixpk= 3365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 131 LEU MDX 126 LEU MDX 4.50 (# 3366:25 Unique 2.30, 6.04 A)
&rst
ixpk= 3366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2035,2036,2037,2039,2040,2041,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 74 LYS HD+ 126 LEU MDX 4.50 (# 3367:25 Unique 2.34, 6.13 A)
&rst
ixpk= 3367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1163,1164,
igr2=1955,1956,1957,1959,1960,1961,
&end
#
# 129 GLU HN 127 SER HA 5.50 (# 3368:25 Unique 3.88, 4.43 A)
&rst
ixpk= 3368, nxpk= 25, iat=1990,1967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 THR HN 127 SER HA 2.80 (# 3369:25 Unique 2.08, 2.57 A)
&rst
ixpk= 3369, nxpk= 25, iat=1976,1967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 SER HN 127 SER HA 4.50 (# 3370:25 Unique 2.24, 2.76 A)
&rst
ixpk= 3370, nxpk= 25, iat=1965,1967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3372 127 SER HA 2.80 (# 3372:25 Single Ambig)
&rst
ixpk= 3372, nxpk= 25, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1969,1970,1969,1970,
&end
#
# 131 LEU HB- 127 SER HA 5.50 (# 3373:25 Unique 2.59, 6.57 A)
&rst
ixpk= 3373, nxpk= 25, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2030,2031,
&end
#
# 0 AMB 25-2:3374 127 SER HA 5.50 (# 3374:25 Single Ambig)
&rst
ixpk= 3374, nxpk= 25, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1982,1983,1984,1953,
&end
#
# 131 LEU HG 127 SER HA 5.50 (# 3375:25 Unique 2.19, 5.37 A)
&rst
ixpk= 3375, nxpk= 25, iat=2033,1967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 THR HN 0 AMB 25-1:3376 5.50 (# 3376:25 Single Ambig)
&rst
ixpk= 3376, nxpk= 25, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1969,1970,1969,1970,
&end
#
# 127 SER HN 0 AMB 25-1:3378 5.50 (# 3378:25 Single Ambig)
&rst
ixpk= 3378, nxpk= 25, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1969,1970,1969,1970,
&end
#
# 127 SER HA 0 AMB 25-1:3382 2.80 (# 3382:25 Single Ambig)
&rst
ixpk= 3382, nxpk= 25, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1969,1970,1969,1970,
&end
#
# 0 AMB 25-2:3383 0 AMB 25-1:3383 5.50 (# 3383:25 Double Ambig)
&rst
ixpk= 3383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=2030,2031,1950,1951,1950,1951,1950,1951,
igr2=1969,1970,1969,1970,1969,1970,1969,1970,
&end
#
# 128 THR HN 128 THR HA 5.50 (# 3385:25 Unique 2.20, 2.84 A)
&rst
ixpk= 3385, nxpk= 25, iat=1976,1978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 LEU HN 128 THR HA 5.50 (# 3386:25 Unique 2.74, 4.11 A)
&rst
ixpk= 3386, nxpk= 25, iat=2026,1978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 THR HB 128 THR HA 4.50 (# 3389:25 Unique 2.38, 2.53 A)
&rst
ixpk= 3389, nxpk= 25, iat=1980,1978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3391 128 THR HA 4.50 (# 3391:25 Single Ambig)
&rst
ixpk= 3391, nxpk= 25, iat= -1,1978, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2033,2030,2031,
&end
#
# 128 THR MG2 128 THR HA 4.50 (# 3392:25 Unique 2.29, 3.31 A)
&rst
ixpk= 3392, nxpk= 25, iat= -1,1978, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1982,1983,1984,
&end
#
# 0 AMB 25-2:3393 128 THR HA 4.50 (# 3393:25 Single Ambig)
&rst
ixpk= 3393, nxpk= 25, iat= -1,1978, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 129 GLU HN 128 THR HB 5.50 (# 3395:25 Unique 2.95, 4.15 A)
&rst
ixpk= 3395, nxpk= 25, iat=1990,1980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 THR HN 128 THR HB 4.50 (# 3396:25 Unique 2.24, 3.33 A)
&rst
ixpk= 3396, nxpk= 25, iat=1976,1980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 THR HA 128 THR HB 3.50 (# 3398:25 Unique 2.38, 2.53 A)
&rst
ixpk= 3398, nxpk= 25, iat=1978,1980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3399 128 THR HB 5.50 (# 3399:25 Single Ambig)
&rst
ixpk= 3399, nxpk= 25, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2033,2030,2031,
&end
#
# 0 AMB 25-2:3400 128 THR HB 5.50 (# 3400:25 Single Ambig)
&rst
ixpk= 3400, nxpk= 25, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2030,2031,1950,1951,1950,1951,
&end
#
# 128 THR MG2 128 THR HB 2.80 (# 3401:25 Unique 2.39, 2.66 A)
&rst
ixpk= 3401, nxpk= 25, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1982,1983,1984,
&end
#
# 0 AMB 25-2:3402 128 THR HB 5.50 (# 3402:25 Single Ambig)
&rst
ixpk= 3402, nxpk= 25, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 128 THR HN 128 THR MG2 3.50 (# 3403:25 Unique 2.03, 3.40 A)
&rst
ixpk= 3403, nxpk= 25, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1982,1983,1984,
&end
#
# 131 LEU HN 128 THR MG2 5.50 (# 3404:25 Unique 4.76, 6.70 A)
&rst
ixpk= 3404, nxpk= 25, iat=2026, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1982,1983,1984,
&end
#
# 130 TYR HN 128 THR MG2 5.50 (# 3405:25 Unique 3.24, 6.31 A)
&rst
ixpk= 3405, nxpk= 25, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1982,1983,1984,
&end
#
# 127 SER HA 128 THR MG2 5.50 (# 3407:25 Unique 3.11, 4.99 A)
&rst
ixpk= 3407, nxpk= 25, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1982,1983,1984,
&end
#
# 128 THR HB 128 THR MG2 2.80 (# 3408:25 Unique 2.39, 2.66 A)
&rst
ixpk= 3408, nxpk= 25, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1982,1983,1984,
&end
#
# 128 THR HA 128 THR MG2 3.50 (# 3409:25 Unique 2.29, 3.31 A)
&rst
ixpk= 3409, nxpk= 25, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1982,1983,1984,
&end
#
# 0 AMB 25-2:3411 128 THR MG2 4.50 (# 3411:25 Single Ambig)
&rst
ixpk= 3411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2033,2030,2031,
igr2=1982,1983,1984,
&end
#
# 0 AMB 25-2:3412 128 THR MG2 5.50 (# 3412:25 Single Ambig)
&rst
ixpk= 3412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1997,1998,1997,1998,1994,1995,
igr2=1982,1983,1984,
&end
#
# 131 LEU MDX 128 THR MG2 4.50 (# 3414:25 Unique 2.62, 6.94 A)
&rst
ixpk= 3414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2035,2036,2037,2039,2040,2041,
igr2=1982,1983,1984,
&end
#
# 129 GLU HN 129 GLU HA 3.50 (# 3416:25 Unique 2.69, 2.84 A)
&rst
ixpk= 3416, nxpk= 25, iat=1990,1992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 LEU HN 129 GLU HA 5.50 (# 3417:25 Unique 3.24, 4.47 A)
&rst
ixpk= 3417, nxpk= 25, iat=2026,1992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TYR HN 129 GLU HA 4.50 (# 3418:25 Unique 2.01, 3.18 A)
&rst
ixpk= 3418, nxpk= 25, iat=2005,1992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3422 129 GLU HA 2.80 (# 3422:25 Single Ambig)
&rst
ixpk= 3422, nxpk= 25, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1994,1995,1997,1998,1997,1998,
&end
#
# 0 AMB 25-2:3424 129 GLU HA 5.50 (# 3424:25 Single Ambig)
&rst
ixpk= 3424, nxpk= 25, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1982,1983,1984,1953,
&end
#
# 129 GLU HN 129 GLU HB- 4.50 (# 3426:25 Unique 2.40, 3.13 A)
&rst
ixpk= 3426, nxpk= 25, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1994,1995,
&end
#
# 129 GLU HA 129 GLU HB- 3.50 (# 3427:25 Unique 2.30, 2.72 A)
&rst
ixpk= 3427, nxpk= 25, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1994,1995,
&end
#
# 129 GLU HN 0 AMB 25-1:3428 4.50 (# 3428:25 Single Ambig)
&rst
ixpk= 3428, nxpk= 25, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1997,1998,1997,1998,
&end
#
# 130 TYR HN 0 AMB 25-1:3429 5.50 (# 3429:25 Single Ambig)
&rst
ixpk= 3429, nxpk= 25, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1997,1998,1997,1998,
&end
#
# 129 GLU HA 0 AMB 25-1:3431 4.50 (# 3431:25 Single Ambig)
&rst
ixpk= 3431, nxpk= 25, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1997,1998,1997,1998,
&end
#
# 154 GLU HN 0 AMB 25-1:3434 5.50 (# 3434:25 Single Ambig)
&rst
ixpk= 3434, nxpk= 25, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1997,1998,1997,1998,
&end
#
# 131 LEU HN 130 TYR HA 5.50 (# 3436:25 Unique 2.26, 2.87 A)
&rst
ixpk= 3436, nxpk= 25, iat=2026,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TYR HN 130 TYR HA 5.50 (# 3437:25 Unique 2.22, 2.69 A)
&rst
ixpk= 3437, nxpk= 25, iat=2005,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TYR HE 130 TYR HA 5.50 (# 3438:25 Unique 4.41, 5.38 A)
&rst
ixpk= 3438, nxpk= 25, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2015,2020,
&end
#
# 130 TYR HD 130 TYR HA 4.50 (# 3439:25 Unique 2.23, 3.56 A)
&rst
ixpk= 3439, nxpk= 25, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2013,2022,
&end
#
# 130 TYR HB+ 130 TYR HA 4.50 (# 3440:25 Unique 2.28, 2.76 A)
&rst
ixpk= 3440, nxpk= 25, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2009,2010,
&end
#
# 130 TYR HB- 130 TYR HA 5.50 (# 3441:25 Unique 2.28, 2.76 A)
&rst
ixpk= 3441, nxpk= 25, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2009,2010,
&end
#
# 0 AMB 25-2:3442 130 TYR HA 5.50 (# 3442:25 Single Ambig)
&rst
ixpk= 3442, nxpk= 25, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2306,2307,2309,2310,
&end
#
# 130 TYR HN 130 TYR HB+ 5.50 (# 3445:25 Unique 2.35, 3.31 A)
&rst
ixpk= 3445, nxpk= 25, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2009,2010,
&end
#
# 130 TYR HN 130 TYR HB- 4.50 (# 3446:25 Unique 2.35, 3.31 A)
&rst
ixpk= 3446, nxpk= 25, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2009,2010,
&end
#
# 130 TYR HE 130 TYR HB+ 5.50 (# 3447:25 Unique 4.64, 5.10 A)
&rst
ixpk= 3447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2015,2020,
igr2=2009,2010,
&end
#
# 130 TYR HE 130 TYR HB- 5.50 (# 3448:25 Unique 4.64, 5.10 A)
&rst
ixpk= 3448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2015,2020,
igr2=2009,2010,
&end
#
# 130 TYR HD 130 TYR HB+ 5.50 (# 3449:25 Unique 2.32, 3.09 A)
&rst
ixpk= 3449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2013,2022,
igr2=2009,2010,
&end
#
# 130 TYR HD 130 TYR HB- 4.50 (# 3450:25 Unique 2.32, 3.09 A)
&rst
ixpk= 3450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2013,2022,
igr2=2009,2010,
&end
#
# 130 TYR HA 130 TYR HB+ 4.50 (# 3451:25 Unique 2.28, 2.76 A)
&rst
ixpk= 3451, nxpk= 25, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2009,2010,
&end
#
# 130 TYR HA 130 TYR HB- 4.50 (# 3452:25 Unique 2.28, 2.76 A)
&rst
ixpk= 3452, nxpk= 25, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2009,2010,
&end
#
# 132 THR HN 131 LEU HA 3.50 (# 3453:25 Unique 2.07, 2.20 A)
&rst
ixpk= 3453, nxpk= 25, iat=2045,2028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3454 131 LEU HA 4.50 (# 3454:25 Single Ambig)
&rst
ixpk= 3454, nxpk= 25, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2030,2031,2033,
&end
#
# 131 LEU HB- 131 LEU HA 4.50 (# 3455:25 Unique 2.22, 2.75 A)
&rst
ixpk= 3455, nxpk= 25, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2030,2031,
&end
#
# 0 AMB 25-2:3456 131 LEU HA 3.50 (# 3456:25 Single Ambig)
&rst
ixpk= 3456, nxpk= 25, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 132 THR HN 131 LEU HB+ 5.50 (# 3457:25 Unique 2.71, 4.00 A)
&rst
ixpk= 3457, nxpk= 25, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2030,2031,
&end
#
# 132 THR HN 131 LEU HB- 5.50 (# 3458:25 Unique 2.71, 4.00 A)
&rst
ixpk= 3458, nxpk= 25, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2030,2031,
&end
#
# 131 LEU HN 131 LEU HB+ 5.50 (# 3459:25 Unique 2.07, 2.98 A)
&rst
ixpk= 3459, nxpk= 25, iat=2026, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2030,2031,
&end
#
# 131 LEU HN 131 LEU HB- 4.50 (# 3460:25 Unique 2.07, 2.98 A)
&rst
ixpk= 3460, nxpk= 25, iat=2026, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2030,2031,
&end
#
# 131 LEU HA 131 LEU HB+ 4.50 (# 3461:25 Unique 2.22, 2.75 A)
&rst
ixpk= 3461, nxpk= 25, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2030,2031,
&end
#
# 131 LEU HA 131 LEU HB- 4.50 (# 3462:25 Unique 2.22, 2.75 A)
&rst
ixpk= 3462, nxpk= 25, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2030,2031,
&end
#
# 0 AMB 25-2:3463 0 AMB 25-1:3463 2.80 (# 3463:25 Double Ambig)
&rst
ixpk= 3463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
igr2=2030,2031,2030,2031,
&end
#
# 0 AMB 25-2:3464 131 LEU HB- 2.80 (# 3464:25 Single Ambig)
&rst
ixpk= 3464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
igr2=2030,2031,
&end
#
# 146 ASN HN 131 LEU MDX 5.50 (# 3465:25 Unique 5.87, 8.08 A)
&rst
ixpk= 3465, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 132 THR HN 131 LEU MDX 5.50 (# 3466:25 Unique 1.79, 4.69 A)
&rst
ixpk= 3466, nxpk= 25, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 131 LEU HN 131 LEU MDX 5.50 (# 3467:25 Unique 2.26, 5.01 A)
&rst
ixpk= 3467, nxpk= 25, iat=2026, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 131 LEU HA 131 LEU MDX 4.50 (# 3468:25 Unique 2.12, 4.05 A)
&rst
ixpk= 3468, nxpk= 25, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 146 ASN HB+ 131 LEU MDX 5.50 (# 3471:25 Unique 4.01, 7.49 A)
&rst
ixpk= 3471, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2258,2259,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 0 AMB 25-2:3473 131 LEU MDX 2.80 (# 3473:25 Single Ambig)
&rst
ixpk= 3473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2030,2031,2033,1861,1862,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 0 AMB 25-2:3475 131 LEU MDX 2.80 (# 3475:25 Single Ambig)
&rst
ixpk= 3475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2030,2031,1950,1951,1950,1951,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 0 AMB 25-2:3476 131 LEU MDX 4.50 (# 3476:25 Single Ambig)
&rst
ixpk= 3476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1953,1982,1983,1984,
igr2=2035,2036,2037,2039,2040,2041,
&end
#
# 132 THR HN 132 THR HA 4.50 (# 3477:25 Unique 2.23, 2.75 A)
&rst
ixpk= 3477, nxpk= 25, iat=2045,2047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLY HN 132 THR HA 5.50 (# 3478:25 Unique 2.12, 2.43 A)
&rst
ixpk= 3478, nxpk= 25, iat=2059,2047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HB 132 THR HA 3.50 (# 3481:25 Unique 2.47, 2.58 A)
&rst
ixpk= 3481, nxpk= 25, iat=2049,2047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 THR MG2 132 THR HA 2.80 (# 3482:25 Unique 2.17, 3.15 A)
&rst
ixpk= 3482, nxpk= 25, iat= -1,2047, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2051,2052,2053,
&end
#
# 0 AMB 25-2:3483 132 THR HA 5.50 (# 3483:25 Single Ambig)
&rst
ixpk= 3483, nxpk= 25, iat= -1,2047, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 132 THR HN 132 THR HB 5.50 (# 3484:25 Unique 2.48, 3.35 A)
&rst
ixpk= 3484, nxpk= 25, iat=2045,2049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLY HN 132 THR HB 5.50 (# 3485:25 Unique 1.83, 2.91 A)
&rst
ixpk= 3485, nxpk= 25, iat=2059,2049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ASN HA 132 THR HB 5.50 (# 3486:25 Unique 2.26, 5.68 A)
&rst
ixpk= 3486, nxpk= 25, iat=2256,2049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL HA 132 THR HB 4.50 (# 3488:25 Unique 2.44, 3.52 A)
&rst
ixpk= 3488, nxpk= 25, iat=2240,2049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 THR HA 132 THR HB 3.50 (# 3489:25 Unique 2.47, 2.58 A)
&rst
ixpk= 3489, nxpk= 25, iat=2047,2049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 LEU HB+ 132 THR HB 5.50 (# 3491:25 Unique 4.60, 5.39 A)
&rst
ixpk= 3491, nxpk= 25, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2223,2224,
&end
#
# 132 THR MG2 132 THR HB 2.80 (# 3492:25 Unique 2.26, 2.67 A)
&rst
ixpk= 3492, nxpk= 25, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2051,2052,2053,
&end
#
# 87 VAL MGX 104 GLY HA+ 3.50 (# 3493:25 Unique 2.22, 4.49 A)
&rst
ixpk= 3493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1360,1361,1362,1364,1365,1366,
igr2=1625,1626,
&end
#
# 87 VAL MGX 104 GLY HA- 3.50 (# 3494:25 Unique 2.22, 4.49 A)
&rst
ixpk= 3494, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1360,1361,1362,1364,1365,1366,
igr2=1625,1626,
&end
#
# 104 GLY HN 104 GLY HA+ 4.50 (# 3495:25 Unique 2.72, 2.82 A)
&rst
ixpk= 3495, nxpk= 25, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1625,1626,
&end
#
# 104 GLY HN 104 GLY HA- 3.50 (# 3496:25 Unique 2.72, 2.82 A)
&rst
ixpk= 3496, nxpk= 25, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1625,1626,
&end
#
# 105 VAL HN 104 GLY HA+ 3.50 (# 3497:25 Unique 2.27, 2.65 A)
&rst
ixpk= 3497, nxpk= 25, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1625,1626,
&end
#
# 105 VAL HN 104 GLY HA- 2.80 (# 3498:25 Unique 2.27, 2.65 A)
&rst
ixpk= 3498, nxpk= 25, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1625,1626,
&end
#
# 135 GLY HN 135 GLY HA- 5.50 (# 3499:25 Unique 2.61, 2.80 A)
&rst
ixpk= 3499, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2087,2088,
&end
#
# 136 ALA HN 135 GLY HA- 4.50 (# 3500:25 Unique 2.49, 2.63 A)
&rst
ixpk= 3500, nxpk= 25, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2087,2088,
&end
#
# 142 LEU HN 136 ALA MB 5.50 (# 3502:25 Unique 4.55, 5.54 A)
&rst
ixpk= 3502, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2096,2097,2098,
&end
#
# 0 AMB 25-2:3503 136 ALA MB 2.80 (# 3503:25 Single Ambig)
&rst
ixpk= 3503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2092,2121,
igr2=2096,2097,2098,
&end
#
# 137 LEU HN 136 ALA MB 3.50 (# 3504:25 Unique 2.41, 3.47 A)
&rst
ixpk= 3504, nxpk= 25, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2096,2097,2098,
&end
#
# 141 MET HA 136 ALA MB 4.50 (# 3505:25 Unique 3.33, 4.21 A)
&rst
ixpk= 3505, nxpk= 25, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2096,2097,2098,
&end
#
# 136 ALA HA 136 ALA MB 2.80 (# 3506:25 Unique 2.43, 2.67 A)
&rst
ixpk= 3506, nxpk= 25, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2096,2097,2098,
&end
#
# 139 ASP HA 136 ALA MB 5.50 (# 3507:25 Unique 4.74, 6.54 A)
&rst
ixpk= 3507, nxpk= 25, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2096,2097,2098,
&end
#
# 0 AMB 25-2:3508 136 ALA MB 5.50 (# 3508:25 Single Ambig)
&rst
ixpk= 3508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1775,2142,
igr2=2096,2097,2098,
&end
#
# 141 MET HG+ 136 ALA MB 5.50 (# 3511:25 Unique 2.31, 3.85 A)
&rst
ixpk= 3511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2171,2172,
igr2=2096,2097,2098,
&end
#
# 0 AMB 25-2:3512 136 ALA MB 5.50 (# 3512:25 Single Ambig)
&rst
ixpk= 3512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1777,1778,1780,1781,
igr2=2096,2097,2098,
&end
#
# 0 AMB 25-2:3513 136 ALA MB 5.50 (# 3513:25 Single Ambig)
&rst
ixpk= 3513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2171,2172,1777,1778,1780,1781,
igr2=2096,2097,2098,
&end
#
# 141 MET ME 136 ALA MB 4.50 (# 3514:25 Unique 2.46, 5.56 A)
&rst
ixpk= 3514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2175,2176,2177,
igr2=2096,2097,2098,
&end
#
# 0 AMB 25-2:3516 136 ALA MB 4.50 (# 3516:25 Single Ambig)
&rst
ixpk= 3516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2144,2145,1800,1801,1719,1720,1719,1720,
igr2=2096,2097,2098,
&end
#
# 0 AMB 25-2:3518 136 ALA MB 5.50 (# 3518:25 Single Ambig)
&rst
ixpk= 3518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2096,2097,2098,
&end
#
# 138 GLY HN 137 LEU HA 4.50 (# 3519:25 Unique 2.16, 2.39 A)
&rst
ixpk= 3519, nxpk= 25, iat=2121,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 LEU HN 137 LEU HA 4.50 (# 3520:25 Unique 2.93, 2.95 A)
&rst
ixpk= 3520, nxpk= 25, iat=2102,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 LEU HB+ 137 LEU HA 2.80 (# 3522:25 Unique 2.34, 2.80 A)
&rst
ixpk= 3522, nxpk= 25, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2106,2107,
&end
#
# 137 LEU HB- 137 LEU HA 2.80 (# 3523:25 Unique 2.34, 2.80 A)
&rst
ixpk= 3523, nxpk= 25, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2106,2107,
&end
#
# 0 AMB 25-2:3525 137 LEU HA 2.80 (# 3525:25 Single Ambig)
&rst
ixpk= 3525, nxpk= 25, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 137 LEU HN 137 LEU HB- 4.50 (# 3527:25 Unique 2.54, 3.24 A)
&rst
ixpk= 3527, nxpk= 25, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2106,2107,
&end
#
# 137 LEU HA 137 LEU HB- 3.50 (# 3529:25 Unique 2.34, 2.80 A)
&rst
ixpk= 3529, nxpk= 25, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2106,2107,
&end
#
# 140 ARG HB+ 137 LEU HB- 3.50 (# 3531:25 Unique 2.14, 3.58 A)
&rst
ixpk= 3531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2144,2145,
igr2=2106,2107,
&end
#
# 0 AMB 25-2:3532 137 LEU HB- 2.80 (# 3532:25 Single Ambig)
&rst
ixpk= 3532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
igr2=2106,2107,
&end
#
# 137 LEU HN 137 LEU HG 5.50 (# 3534:25 Unique 3.41, 3.67 A)
&rst
ixpk= 3534, nxpk= 25, iat=2102,2109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 LEU HA 137 LEU HG 4.50 (# 3538:25 Unique 2.37, 2.96 A)
&rst
ixpk= 3538, nxpk= 25, iat=2104,2109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 ARG HB+ 137 LEU HG 4.50 (# 3540:25 Unique 2.43, 4.94 A)
&rst
ixpk= 3540, nxpk= 25, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2144,2145,
&end
#
# 0 AMB 25-2:3542 137 LEU HG 2.80 (# 3542:25 Single Ambig)
&rst
ixpk= 3542, nxpk= 25, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3543 137 LEU HG 2.80 (# 3543:25 Single Ambig)
&rst
ixpk= 3543, nxpk= 25, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 142 LEU HN 0 AMB 25-1:3545 5.50 (# 3545:25 Single Ambig)
&rst
ixpk= 3545, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3546 0 AMB 25-1:3546 5.50 (# 3546:25 Double Ambig)
&rst
ixpk= 3546, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1734,1715,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3547 0 AMB 25-1:3547 5.50 (# 3547:25 Double Ambig)
&rst
ixpk= 3547, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2121,2092,2128,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 110 SER HN 0 AMB 25-1:3548 5.50 (# 3548:25 Single Ambig)
&rst
ixpk= 3548, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 137 LEU HN 0 AMB 25-1:3549 4.50 (# 3549:25 Single Ambig)
&rst
ixpk= 3549, nxpk= 25, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3550 0 AMB 25-1:3550 4.50 (# 3550:25 Double Ambig)
&rst
ixpk= 3550, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1785,1786,1785,1786,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 115 GLN HE2- 0 AMB 25-1:3551 4.50 (# 3551:25 Single Ambig)
&rst
ixpk= 3551, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1785,1786,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 111 LEU HA 0 AMB 25-1:3552 5.50 (# 3552:25 Single Ambig)
&rst
ixpk= 3552, nxpk= 25, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 136 ALA HA 0 AMB 25-1:3553 5.50 (# 3553:25 Single Ambig)
&rst
ixpk= 3553, nxpk= 25, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3555 0 AMB 25-1:3555 4.50 (# 3555:25 Double Ambig)
&rst
ixpk= 3555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1687,2087,2088,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 137 LEU HA 0 AMB 25-1:3556 3.50 (# 3556:25 Single Ambig)
&rst
ixpk= 3556, nxpk= 25, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3557 0 AMB 25-1:3557 5.50 (# 3557:25 Double Ambig)
&rst
ixpk= 3557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2142,2183,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3558 0 AMB 25-1:3558 5.50 (# 3558:25 Double Ambig)
&rst
ixpk= 3558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2123,2124,2123,2124,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3559 0 AMB 25-1:3559 5.50 (# 3559:25 Double Ambig)
&rst
ixpk= 3559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2150,2151,2150,2151,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 140 ARG HD- 0 AMB 25-1:3560 4.50 (# 3560:25 Single Ambig)
&rst
ixpk= 3560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2150,2151,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3561 0 AMB 25-1:3561 4.50 (# 3561:25 Double Ambig)
&rst
ixpk= 3561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1=1780,1781,1780,1781, 262, 263,1777,1778,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3564 0 AMB 25-1:3564 2.80 (# 3564:25 Double Ambig)
&rst
ixpk= 3564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2106,2107,2106,2107,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3565 0 AMB 25-1:3565 2.80 (# 3565:25 Double Ambig)
&rst
ixpk= 3565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2106,2107,2109,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 142 LEU HG 0 AMB 25-1:3566 4.50 (# 3566:25 Single Ambig)
&rst
ixpk= 3566, nxpk= 25, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 0 AMB 25-2:3567 0 AMB 25-1:3567 3.50 (# 3567:25 Double Ambig)
&rst
ixpk= 3567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,2190,2191,2192,2194,2195,2196,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 140 ARG HN 0 AMB 25-1:3568 5.50 (# 3568:25 Single Ambig)
&rst
ixpk= 3568, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2111,2112,2113,2115,2116,2117,2111,2112,2113,2115,
2116,2117,
&end
#
# 84 ASP HA 25 GLY HA+ 5.50 (# 3569:25 Unique 4.74, 7.92 A)
&rst
ixpk= 3569, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 0 AMB 25-2:3572 0 AMB 25-1:3572 4.50 (# 3572:25 Double Ambig)
&rst
ixpk= 3572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2140,1251,
igr2=2123,2124, 368, 369,
&end
#
# 140 ARG HN 138 GLY HA- 5.50 (# 3573:25 Unique 4.00, 4.61 A)
&rst
ixpk= 3573, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2123,2124,
&end
#
# 0 AMB 25-2:3574 138 GLY HA- 3.50 (# 3574:25 Single Ambig)
&rst
ixpk= 3574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2121,2128,
igr2=2123,2124,
&end
#
# 139 ASP HB+ 139 ASP HA 2.80 (# 3577:25 Unique 2.33, 2.74 A)
&rst
ixpk= 3577, nxpk= 25, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2132,2133,
&end
#
# 139 ASP HB- 139 ASP HA 3.50 (# 3578:25 Unique 2.33, 2.74 A)
&rst
ixpk= 3578, nxpk= 25, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2132,2133,
&end
#
# 142 LEU HN 141 MET HA 2.80 (# 3580:25 Unique 2.17, 2.23 A)
&rst
ixpk= 3580, nxpk= 25, iat=2181,2166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 MET HN 141 MET HA 4.50 (# 3581:25 Unique 2.89, 2.90 A)
&rst
ixpk= 3581, nxpk= 25, iat=2164,2166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 LEU HN 141 MET HA 4.50 (# 3582:25 Unique 3.18, 3.46 A)
&rst
ixpk= 3582, nxpk= 25, iat=2102,2166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 MET HB+ 141 MET HA 3.50 (# 3584:25 Unique 2.47, 2.78 A)
&rst
ixpk= 3584, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2168,2169,
&end
#
# 141 MET HB- 141 MET HA 3.50 (# 3585:25 Unique 2.47, 2.78 A)
&rst
ixpk= 3585, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2168,2169,
&end
#
# 0 AMB 25-2:3586 141 MET HA 5.50 (# 3586:25 Single Ambig)
&rst
ixpk= 3586, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2106,2107,2109,2070,2071,
&end
#
# 136 ALA MB 141 MET HA 4.50 (# 3587:25 Unique 3.33, 4.21 A)
&rst
ixpk= 3587, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2096,2097,2098,
&end
#
# 0 AMB 25-2:3589 141 MET HA 4.50 (# 3589:25 Single Ambig)
&rst
ixpk= 3589, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3590 141 MET HA 5.50 (# 3590:25 Single Ambig)
&rst
ixpk= 3590, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 141 MET HG- 141 MET HA 5.50 (# 3591:25 Unique 2.30, 2.74 A)
&rst
ixpk= 3591, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2171,2172,
&end
#
# 141 MET HG+ 141 MET HA 5.50 (# 3592:25 Unique 2.30, 2.74 A)
&rst
ixpk= 3592, nxpk= 25, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2171,2172,
&end
#
# 142 LEU HN 141 MET HB+ 4.50 (# 3593:25 Unique 2.53, 3.58 A)
&rst
ixpk= 3593, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2168,2169,
&end
#
# 142 LEU HN 141 MET HB- 4.50 (# 3594:25 Unique 2.53, 3.58 A)
&rst
ixpk= 3594, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2168,2169,
&end
#
# 141 MET HN 141 MET HB+ 3.50 (# 3595:25 Unique 2.80, 3.35 A)
&rst
ixpk= 3595, nxpk= 25, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2168,2169,
&end
#
# 141 MET HN 141 MET HB- 4.50 (# 3596:25 Unique 2.80, 3.35 A)
&rst
ixpk= 3596, nxpk= 25, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2168,2169,
&end
#
# 141 MET HA 141 MET HB+ 3.50 (# 3597:25 Unique 2.47, 2.78 A)
&rst
ixpk= 3597, nxpk= 25, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2168,2169,
&end
#
# 141 MET HA 141 MET HB- 3.50 (# 3598:25 Unique 2.47, 2.78 A)
&rst
ixpk= 3598, nxpk= 25, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2168,2169,
&end
#
# 141 MET HG+ 141 MET HB+ 3.50 (# 3601:25 Unique 2.38, 2.76 A)
&rst
ixpk= 3601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2171,2172,
igr2=2168,2169,
&end
#
# 141 MET HG+ 141 MET HB- 3.50 (# 3602:25 Unique 2.38, 2.76 A)
&rst
ixpk= 3602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2171,2172,
igr2=2168,2169,
&end
#
# 141 MET HG- 141 MET HB+ 2.80 (# 3603:25 Unique 2.38, 2.76 A)
&rst
ixpk= 3603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2171,2172,
igr2=2168,2169,
&end
#
# 141 MET HG- 141 MET HB- 2.80 (# 3604:25 Unique 2.38, 2.76 A)
&rst
ixpk= 3604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2171,2172,
igr2=2168,2169,
&end
#
# 0 AMB 25-2:3605 0 AMB 25-1:3605 2.80 (# 3605:25 Double Ambig)
&rst
ixpk= 3605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2168,2169,2168,2169,
&end
#
# 0 AMB 25-2:3606 141 MET HB- 2.80 (# 3606:25 Single Ambig)
&rst
ixpk= 3606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2168,2169,
&end
#
# 142 LEU HN 141 MET HG+ 5.50 (# 3607:25 Unique 3.75, 4.58 A)
&rst
ixpk= 3607, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2171,2172,
&end
#
# 141 MET HN 141 MET HG+ 4.50 (# 3608:25 Unique 3.36, 3.87 A)
&rst
ixpk= 3608, nxpk= 25, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 141 MET HA 141 MET HG+ 4.50 (# 3609:25 Unique 2.30, 2.74 A)
&rst
ixpk= 3609, nxpk= 25, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2171,2172,
&end
#
# 140 ARG HA 141 MET HG+ 5.50 (# 3611:25 Unique 3.72, 4.64 A)
&rst
ixpk= 3611, nxpk= 25, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2171,2172,
&end
#
# 140 ARG HA 141 MET HG- 5.50 (# 3612:25 Unique 3.72, 4.64 A)
&rst
ixpk= 3612, nxpk= 25, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2171,2172,
&end
#
# 0 AMB 25-2:3613 0 AMB 25-1:3613 3.50 (# 3613:25 Double Ambig)
&rst
ixpk= 3613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2168,2169,2175,2176,2177,
igr2=2171,2172,2171,2172,
&end
#
# 0 AMB 25-2:3614 141 MET HG- 2.80 (# 3614:25 Single Ambig)
&rst
ixpk= 3614, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2168,2169,2175,2176,2177,
igr2=2171,2172,
&end
#
# 141 MET HB- 141 MET HG+ 3.50 (# 3615:25 Unique 2.38, 2.76 A)
&rst
ixpk= 3615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2168,2169,
igr2=2171,2172,
&end
#
# 136 ALA MB 141 MET HG+ 5.50 (# 3616:25 Unique 2.31, 3.85 A)
&rst
ixpk= 3616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2096,2097,2098,
igr2=2171,2172,
&end
#
# 136 ALA MB 141 MET HG- 4.50 (# 3617:25 Unique 2.31, 3.85 A)
&rst
ixpk= 3617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2096,2097,2098,
igr2=2171,2172,
&end
#
# 0 AMB 25-2:3618 0 AMB 25-1:3618 4.50 (# 3618:25 Double Ambig)
&rst
ixpk= 3618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2171,2172,2171,2172,
&end
#
# 135 GLY HN 0 AMB 25-1:3619 4.50 (# 3619:25 Single Ambig)
&rst
ixpk= 3619, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 142 LEU HN 0 AMB 25-1:3620 4.50 (# 3620:25 Single Ambig)
&rst
ixpk= 3620, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 134 LEU HN 0 AMB 25-1:3621 4.50 (# 3621:25 Single Ambig)
&rst
ixpk= 3621, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3622 0 AMB 25-1:3622 3.50 (# 3622:25 Double Ambig)
&rst
ixpk= 3622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1847,2200,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 144 LEU HN 0 AMB 25-1:3623 4.50 (# 3623:25 Single Ambig)
&rst
ixpk= 3623, nxpk= 25, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 134 LEU HA 0 AMB 25-1:3628 3.50 (# 3628:25 Single Ambig)
&rst
ixpk= 3628, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3629 0 AMB 25-1:3629 4.50 (# 3629:25 Double Ambig)
&rst
ixpk= 3629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2087,2088,2087,2088,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 120 PRO HA 0 AMB 25-1:3630 4.50 (# 3630:25 Single Ambig)
&rst
ixpk= 3630, nxpk= 25, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3631 0 AMB 25-1:3631 2.80 (# 3631:25 Double Ambig)
&rst
ixpk= 3631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2202,1849,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3633 0 AMB 25-1:3633 4.50 (# 3633:25 Double Ambig)
&rst
ixpk= 3633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1858,1859,1858,1859,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 120 PRO HD- 0 AMB 25-1:3634 4.50 (# 3634:25 Single Ambig)
&rst
ixpk= 3634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1858,1859,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3636 0 AMB 25-1:3636 5.50 (# 3636:25 Double Ambig)
&rst
ixpk= 3636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2171,2172,2171,2172,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3637 0 AMB 25-1:3637 4.50 (# 3637:25 Double Ambig)
&rst
ixpk= 3637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1840,1841,1840,1841,2171,2172,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3638 0 AMB 25-1:3638 5.50 (# 3638:25 Double Ambig)
&rst
ixpk= 3638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1878,1879,1878,1879,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 121 GLU HG- 0 AMB 25-1:3639 5.50 (# 3639:25 Single Ambig)
&rst
ixpk= 3639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1878,1879,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3640 0 AMB 25-1:3640 2.80 (# 3640:25 Double Ambig)
&rst
ixpk= 3640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2168,2169,2168,2169,2175,2176,2177,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3641 0 AMB 25-1:3641 2.80 (# 3641:25 Double Ambig)
&rst
ixpk= 3641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2168,2169,1864,1865,1864,1865,1840,1841,1861,1862,
1861,1862,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 0 AMB 25-2:3642 0 AMB 25-1:3642 2.80 (# 3642:25 Double Ambig)
&rst
ixpk= 3642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2210,2211,2210,2211,2073,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 134 LEU HB- 0 AMB 25-1:3643 2.80 (# 3643:25 Single Ambig)
&rst
ixpk= 3643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2070,2071,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 119 ALA MB 0 AMB 25-1:3644 4.50 (# 3644:25 Single Ambig)
&rst
ixpk= 3644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1851,1852,1853,
igr2=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
&end
#
# 142 LEU HN 142 LEU HA 4.50 (# 3645:25 Unique 2.91, 2.99 A)
&rst
ixpk= 3645, nxpk= 25, iat=2181,2183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 GLY HN 142 LEU HA 5.50 (# 3646:25 Unique 4.53, 4.57 A)
&rst
ixpk= 3646, nxpk= 25, iat= 436,2183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 ILE HN 142 LEU HA 2.80 (# 3647:25 Unique 2.16, 2.19 A)
&rst
ixpk= 3647, nxpk= 25, iat=2200,2183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 TYR HA 142 LEU HA 4.50 (# 3648:25 Unique 3.04, 3.34 A)
&rst
ixpk= 3648, nxpk= 25, iat= 417,2183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 GLU HB+ 142 LEU HA 4.50 (# 3651:25 Unique 3.11, 3.55 A)
&rst
ixpk= 3651, nxpk= 25, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 142 LEU HG 142 LEU HA 4.50 (# 3653:25 Unique 2.68, 3.47 A)
&rst
ixpk= 3653, nxpk= 25, iat=2188,2183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3654 142 LEU HA 2.80 (# 3654:25 Single Ambig)
&rst
ixpk= 3654, nxpk= 25, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3655 142 LEU HA 4.50 (# 3655:25 Single Ambig)
&rst
ixpk= 3655, nxpk= 25, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081, 303, 304, 305, 307, 308, 309, 303, 304,
305, 307, 308, 309,
&end
#
# 0 AMB 25-2:3657 142 LEU HA 4.50 (# 3657:25 Single Ambig)
&rst
ixpk= 3657, nxpk= 25, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,
&end
#
# 135 GLY HN 0 AMB 25-1:3658 5.50 (# 3658:25 Single Ambig)
&rst
ixpk= 3658, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2185,2186,2185,2186,
&end
#
# 142 LEU HN 0 AMB 25-1:3659 3.50 (# 3659:25 Single Ambig)
&rst
ixpk= 3659, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2185,2186,2185,2186,
&end
#
# 143 ILE HN 0 AMB 25-1:3660 5.50 (# 3660:25 Single Ambig)
&rst
ixpk= 3660, nxpk= 25, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2185,2186,2185,2186,
&end
#
# 29 TYR HA 0 AMB 25-1:3662 4.50 (# 3662:25 Single Ambig)
&rst
ixpk= 3662, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2185,2186,2185,2186,
&end
#
# 142 LEU HA 0 AMB 25-1:3664 3.50 (# 3664:25 Single Ambig)
&rst
ixpk= 3664, nxpk= 25, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3665 0 AMB 25-1:3665 5.50 (# 3665:25 Double Ambig)
&rst
ixpk= 3665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 438, 439,2087,2088,
igr2=2185,2186,2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3666 0 AMB 25-1:3666 5.50 (# 3666:25 Double Ambig)
&rst
ixpk= 3666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 404, 405,1722,2223,2224,2223,2224,
igr2=2185,2186,2185,2186,2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3667 0 AMB 25-1:3667 4.50 (# 3667:25 Double Ambig)
&rst
ixpk= 3667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2106,2107,2147,2148,
igr2=2185,2186,2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3668 0 AMB 25-1:3668 3.50 (# 3668:25 Double Ambig)
&rst
ixpk= 3668, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34,
igr1= 303, 304, 305, 307, 308, 309, 303, 304, 305, 307,
308, 309, 419, 420,2075,2076,2077,2079,2080,2081,
2075,2076,2077,2079,2080,2081,
igr2=2185,2186,2185,2186,2185,2186,2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3669 0 AMB 25-1:3669 2.80 (# 3669:25 Double Ambig)
&rst
ixpk= 3669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,1724,1725,1726,1728,1729,1730,
igr2=2185,2186,2185,2186,2185,2186,
&end
#
# 144 LEU MDY 0 AMB 25-1:3670 4.50 (# 3670:25 Single Ambig)
&rst
ixpk= 3670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2185,2186,2185,2186,
&end
#
# 0 AMB 25-2:3671 0 AMB 25-1:3671 5.50 (# 3671:25 Double Ambig)
&rst
ixpk= 3671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 415,2181, 698,
igr2=2188, 746, 747,
&end
#
# 48 ILE HN 48 ILE HG1+ 5.50 (# 3672:25 Unique 2.23, 3.85 A)
&rst
ixpk= 3672, nxpk= 25, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 746, 747,
&end
#
# 0 AMB 25-2:3673 142 LEU HG 5.50 (# 3673:25 Single Ambig)
&rst
ixpk= 3673, nxpk= 25, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 417,2166,
&end
#
# 0 AMB 25-2:3674 0 AMB 25-1:3674 4.50 (# 3674:25 Double Ambig)
&rst
ixpk= 3674, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2183, 714,
igr2=2188, 746, 747,
&end
#
# 0 AMB 25-2:3675 0 AMB 25-1:3675 2.80 (# 3675:25 Double Ambig)
&rst
ixpk= 3675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2190,2191,2192,2194,2195,2196,2190,2191,2192,2194,
2195,2196,1399,1400,1401,1724,1725,1726,1728,1729,
1730,
igr2=2188,1396,1397,
&end
#
# 144 LEU MDY 142 LEU HG 4.50 (# 3676:25 Unique 3.46, 5.68 A)
&rst
ixpk= 3676, nxpk= 25, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 135 GLY HN 142 LEU MDY 5.50 (# 3677:25 Unique 4.50, 6.16 A)
&rst
ixpk= 3677, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 142 LEU HN 142 LEU MDY 4.50 (# 3679:25 Unique 2.09, 4.21 A)
&rst
ixpk= 3679, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3680 142 LEU MDY 4.50 (# 3680:25 Single Ambig)
&rst
ixpk= 3680, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2164,2200,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 140 ARG HE 142 LEU MDY 5.50 (# 3681:25 Unique 2.82, 6.27 A)
&rst
ixpk= 3681, nxpk= 25, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 137 LEU HN 142 LEU MDY 5.50 (# 3682:25 Unique 3.55, 5.80 A)
&rst
ixpk= 3682, nxpk= 25, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 30 GLY HA+ 142 LEU MDY 5.50 (# 3683:25 Unique 2.60, 5.97 A)
&rst
ixpk= 3683, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 438, 439,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3684 142 LEU MDY 5.50 (# 3684:25 Single Ambig)
&rst
ixpk= 3684, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1717,2068,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3685 142 LEU MDY 4.50 (# 3685:25 Single Ambig)
&rst
ixpk= 3685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2087,2088, 402,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 142 LEU HA 142 LEU MDY 4.50 (# 3686:25 Unique 2.31, 3.76 A)
&rst
ixpk= 3686, nxpk= 25, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3687 142 LEU MDY 4.50 (# 3687:25 Single Ambig)
&rst
ixpk= 3687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2150,2151, 438, 439,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3688 142 LEU MDY 5.50 (# 3688:25 Single Ambig)
&rst
ixpk= 3688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 262, 263,2171,2172,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 19 PHE HB- 142 LEU MDY 5.50 (# 3689:25 Unique 3.63, 7.21 A)
&rst
ixpk= 3689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 262, 263,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 28 GLU HG+ 142 LEU MDY 5.50 (# 3690:25 Unique 4.11, 6.57 A)
&rst
ixpk= 3690, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 407, 408,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 21 VAL HB 142 LEU MDY 5.50 (# 3691:25 Unique 2.28, 4.49 A)
&rst
ixpk= 3691, nxpk= 25, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 28 GLU HB+ 142 LEU MDY 4.50 (# 3692:25 Unique 2.26, 4.57 A)
&rst
ixpk= 3692, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 404, 405,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3693 142 LEU MDY 4.50 (# 3693:25 Single Ambig)
&rst
ixpk= 3693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 407, 408,2168,2169,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3694 142 LEU MDY 4.50 (# 3694:25 Single Ambig)
&rst
ixpk= 3694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 404, 405,1689,1690,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3695 142 LEU MDY 2.80 (# 3695:25 Single Ambig)
&rst
ixpk= 3695, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2106,2107,2109,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 142 LEU HG 142 LEU MDY 2.80 (# 3696:25 Unique 2.31, 2.64 A)
&rst
ixpk= 3696, nxpk= 25, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:3697 142 LEU MDY 2.80 (# 3697:25 Single Ambig)
&rst
ixpk= 3697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2185,2186,2185,2186,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 144 LEU MDY 142 LEU MDY 3.50 (# 3698:25 Unique 3.67, 6.86 A)
&rst
ixpk= 3698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 135 GLY HN 143 ILE HA 5.50 (# 3699:25 Unique 3.64, 3.77 A)
&rst
ixpk= 3699, nxpk= 25, iat=2085,2202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 LEU HN 143 ILE HA 3.50 (# 3700:25 Unique 2.11, 2.19 A)
&rst
ixpk= 3700, nxpk= 25, iat=2219,2202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LEU HA 143 ILE HA 4.50 (# 3701:25 Unique 2.22, 2.35 A)
&rst
ixpk= 3701, nxpk= 25, iat=2068,2202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3702 143 ILE HA 3.50 (# 3702:25 Single Ambig)
&rst
ixpk= 3702, nxpk= 25, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2070,2071,2210,2211,
&end
#
# 0 AMB 25-2:3705 143 ILE HA 2.80 (# 3705:25 Single Ambig)
&rst
ixpk= 3705, nxpk= 25, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,2206,2207,2208,
&end
#
# 143 ILE HG1- 143 ILE HA 5.50 (# 3706:25 Unique 2.43, 2.81 A)
&rst
ixpk= 3706, nxpk= 25, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2210,2211,
&end
#
# 0 AMB 25-2:3707 143 ILE HA 5.50 (# 3707:25 Single Ambig)
&rst
ixpk= 3707, nxpk= 25, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2213,2214,2215,2190,2191,2192,2194,2195,2196,2190,
2191,2192,2194,2195,2196,
&end
#
# 30 GLY HN 143 ILE HB 5.50 (# 3708:25 Unique 4.18, 4.34 A)
&rst
ixpk= 3708, nxpk= 25, iat= 436,2204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3709 143 ILE HB 5.50 (# 3709:25 Single Ambig)
&rst
ixpk= 3709, nxpk= 25, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2219,2238,
&end
#
# 143 ILE HN 143 ILE HB 4.50 (# 3710:25 Unique 2.33, 2.44 A)
&rst
ixpk= 3710, nxpk= 25, iat=2200,2204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 TYR HD 143 ILE HB 4.50 (# 3711:25 Unique 2.22, 3.60 A)
&rst
ixpk= 3711, nxpk= 25, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 423, 432,
&end
#
# 29 TYR HE 143 ILE HB 4.50 (# 3713:25 Unique 2.49, 3.87 A)
&rst
ixpk= 3713, nxpk= 25, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 430,
&end
#
# 29 TYR HA 143 ILE HB 4.50 (# 3714:25 Unique 2.66, 2.88 A)
&rst
ixpk= 3714, nxpk= 25, iat= 417,2204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 ILE HA 143 ILE HB 4.50 (# 3716:25 Unique 3.01, 3.04 A)
&rst
ixpk= 3716, nxpk= 25, iat=2202,2204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 ILE QG2 143 ILE HB 2.80 (# 3717:25 Unique 2.42, 2.67 A)
&rst
ixpk= 3717, nxpk= 25, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2206,2207,2208,
&end
#
# 143 ILE HG1- 143 ILE HB 3.50 (# 3718:25 Unique 2.34, 2.76 A)
&rst
ixpk= 3718, nxpk= 25, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2210,2211,
&end
#
# 143 ILE QD1 143 ILE HB 3.50 (# 3719:25 Unique 2.50, 3.23 A)
&rst
ixpk= 3719, nxpk= 25, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2213,2214,2215,
&end
#
# 143 ILE HN 143 ILE HG1+ 4.50 (# 3720:25 Unique 2.36, 3.08 A)
&rst
ixpk= 3720, nxpk= 25, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2210,2211,
&end
#
# 29 TYR HA 143 ILE HG1+ 5.50 (# 3721:25 Unique 3.88, 4.71 A)
&rst
ixpk= 3721, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2211,
&end
#
# 142 LEU HA 143 ILE HG1+ 5.50 (# 3723:25 Unique 3.66, 4.47 A)
&rst
ixpk= 3723, nxpk= 25, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2211,
&end
#
# 143 ILE HA 143 ILE HG1+ 4.50 (# 3724:25 Unique 2.43, 2.81 A)
&rst
ixpk= 3724, nxpk= 25, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2210,2211,
&end
#
# 143 ILE QD1 143 ILE HG1+ 2.80 (# 3726:25 Unique 2.35, 2.66 A)
&rst
ixpk= 3726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2213,2214,2215,
igr2=2210,2211,
&end
#
# 143 ILE QG2 143 ILE HG1+ 2.80 (# 3727:25 Unique 2.52, 3.57 A)
&rst
ixpk= 3727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2206,2207,2208,
igr2=2210,2211,
&end
#
# 135 GLY HN 143 ILE QG2 5.50 (# 3728:25 Unique 5.98, 6.79 A)
&rst
ixpk= 3728, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2206,2207,2208,
&end
#
# 146 ASN HN 143 ILE QG2 5.50 (# 3729:25 Unique 5.48, 6.71 A)
&rst
ixpk= 3729, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2206,2207,2208,
&end
#
# 134 LEU HN 143 ILE QG2 5.50 (# 3731:25 Unique 5.15, 6.39 A)
&rst
ixpk= 3731, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2206,2207,2208,
&end
#
# 144 LEU HN 143 ILE QG2 3.50 (# 3732:25 Unique 2.91, 3.82 A)
&rst
ixpk= 3732, nxpk= 25, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2206,2207,2208,
&end
#
# 75 PHE HE 143 ILE QG2 5.50 (# 3735:25 Unique 3.49, 7.56 A)
&rst
ixpk= 3735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1185,1189,
igr2=2206,2207,2208,
&end
#
# 29 TYR HD 143 ILE QG2 4.50 (# 3736:25 Unique 2.63, 5.12 A)
&rst
ixpk= 3736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 423, 432,
igr2=2206,2207,2208,
&end
#
# 29 TYR HE 143 ILE QG2 4.50 (# 3738:25 Unique 2.46, 4.58 A)
&rst
ixpk= 3738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 425, 430,
igr2=2206,2207,2208,
&end
#
# 144 LEU HA 143 ILE QG2 4.50 (# 3741:25 Unique 4.26, 5.47 A)
&rst
ixpk= 3741, nxpk= 25, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2206,2207,2208,
&end
#
# 142 LEU HA 143 ILE QG2 5.50 (# 3742:25 Unique 6.36, 6.61 A)
&rst
ixpk= 3742, nxpk= 25, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2206,2207,2208,
&end
#
# 143 ILE HA 143 ILE QG2 2.80 (# 3743:25 Unique 2.43, 3.14 A)
&rst
ixpk= 3743, nxpk= 25, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2206,2207,2208,
&end
#
# 132 THR HB 143 ILE QG2 2.80 (# 3744:25 Unique 2.13, 3.51 A)
&rst
ixpk= 3744, nxpk= 25, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2206,2207,2208,
&end
#
# 0 AMB 25-2:3747 143 ILE QG2 2.80 (# 3747:25 Single Ambig)
&rst
ixpk= 3747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1861,1862,2030,2031,
igr2=2206,2207,2208,
&end
#
# 0 AMB 25-2:3748 143 ILE QG2 2.80 (# 3748:25 Single Ambig)
&rst
ixpk= 3748, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2204,2210,2211,2070,2071,
igr2=2206,2207,2208,
&end
#
# 132 THR MG2 143 ILE QG2 4.50 (# 3749:25 Unique 2.25, 4.67 A)
&rst
ixpk= 3749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2051,2052,2053,
igr2=2206,2207,2208,
&end
#
# 143 ILE QD1 143 ILE QG2 2.80 (# 3750:25 Unique 2.20, 3.67 A)
&rst
ixpk= 3750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2213,2214,2215,
igr2=2206,2207,2208,
&end
#
# 0 AMB 25-2:3751 143 ILE QD1 5.50 (# 3751:25 Single Ambig)
&rst
ixpk= 3751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2219, 347,1916,
igr2=2213,2214,2215,
&end
#
# 143 ILE HN 143 ILE QD1 4.50 (# 3752:25 Unique 4.02, 4.69 A)
&rst
ixpk= 3752, nxpk= 25, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2213,2214,2215,
&end
#
# 28 GLU HN 143 ILE QD1 5.50 (# 3753:25 Unique 4.18, 5.47 A)
&rst
ixpk= 3753, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2213,2214,2215,
&end
#
# 29 TYR HD 143 ILE QD1 4.50 (# 3755:25 Unique 3.83, 5.68 A)
&rst
ixpk= 3755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 423, 432,
igr2=2213,2214,2215,
&end
#
# 29 TYR HE 143 ILE QD1 5.50 (# 3756:25 Unique 2.47, 4.59 A)
&rst
ixpk= 3756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 425, 430,
igr2=2213,2214,2215,
&end
#
# 29 TYR HA 143 ILE QD1 5.50 (# 3758:25 Unique 4.59, 5.74 A)
&rst
ixpk= 3758, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3759 143 ILE QD1 5.50 (# 3759:25 Single Ambig)
&rst
ixpk= 3759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1177, 402,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3760 143 ILE QD1 5.50 (# 3760:25 Single Ambig)
&rst
ixpk= 3760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 387,2047,
igr2=2213,2214,2215,
&end
#
# 142 LEU HA 143 ILE QD1 5.50 (# 3761:25 Unique 5.62, 6.28 A)
&rst
ixpk= 3761, nxpk= 25, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3762 143 ILE QD1 4.50 (# 3762:25 Single Ambig)
&rst
ixpk= 3762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2202,1849,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3763 143 ILE QD1 3.50 (# 3763:25 Single Ambig)
&rst
ixpk= 3763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 392, 393, 392, 393, 389, 390,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3764 143 ILE QD1 4.50 (# 3764:25 Single Ambig)
&rst
ixpk= 3764, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1861,1862,1861,1862,1864,1865,
igr2=2213,2214,2215,
&end
#
# 27 GLU HB- 143 ILE QD1 4.50 (# 3765:25 Unique 2.84, 5.29 A)
&rst
ixpk= 3765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 389, 390,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3766 143 ILE QD1 2.80 (# 3766:25 Single Ambig)
&rst
ixpk= 3766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2210,2211,2204,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3768 143 ILE QD1 5.50 (# 3768:25 Single Ambig)
&rst
ixpk= 3768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2051,2052,2053,1851,1852,1853,2185,2186,
igr2=2213,2214,2215,
&end
#
# 143 ILE QG2 143 ILE QD1 2.80 (# 3769:25 Unique 2.20, 3.67 A)
&rst
ixpk= 3769, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2206,2207,2208,
igr2=2213,2214,2215,
&end
#
# 143 ILE HG1- 143 ILE QD1 2.80 (# 3770:25 Unique 2.35, 2.66 A)
&rst
ixpk= 3770, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2210,2211,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3772 143 ILE QD1 5.50 (# 3772:25 Single Ambig)
&rst
ixpk= 3772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=2168,2169,2175,2176,2177, 404, 405,
igr2=2213,2214,2215,
&end
#
# 0 AMB 25-2:3773 0 AMB 25-1:3773 4.50 (# 3773:25 Double Ambig)
&rst
ixpk= 3773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2219,2238,
igr2=2223,2224,2223,2224,
&end
#
# 0 AMB 25-2:3774 144 LEU HB- 4.50 (# 3774:25 Single Ambig)
&rst
ixpk= 3774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2219,2238,
igr2=2223,2224,
&end
#
# 133 GLY HN 144 LEU HB+ 5.50 (# 3775:25 Unique 2.99, 3.70 A)
&rst
ixpk= 3775, nxpk= 25, iat=2059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2223,2224,
&end
#
# 133 GLY HN 144 LEU HB- 5.50 (# 3776:25 Unique 2.99, 3.70 A)
&rst
ixpk= 3776, nxpk= 25, iat=2059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2223,2224,
&end
#
# 134 LEU HA 144 LEU HB+ 5.50 (# 3777:25 Unique 2.70, 4.19 A)
&rst
ixpk= 3777, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2223,2224,
&end
#
# 134 LEU HA 144 LEU HB- 5.50 (# 3778:25 Unique 2.70, 4.19 A)
&rst
ixpk= 3778, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2223,2224,
&end
#
# 144 LEU HA 144 LEU HB+ 4.50 (# 3779:25 Unique 2.44, 2.80 A)
&rst
ixpk= 3779, nxpk= 25, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2223,2224,
&end
#
# 144 LEU HA 144 LEU HB- 4.50 (# 3780:25 Unique 2.44, 2.80 A)
&rst
ixpk= 3780, nxpk= 25, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2223,2224,
&end
#
# 144 LEU HG 144 LEU HB+ 4.50 (# 3781:25 Unique 2.33, 2.55 A)
&rst
ixpk= 3781, nxpk= 25, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2223,2224,
&end
#
# 144 LEU HG 144 LEU HB- 4.50 (# 3782:25 Unique 2.33, 2.55 A)
&rst
ixpk= 3782, nxpk= 25, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2223,2224,
&end
#
# 144 LEU MDX 144 LEU HB+ 4.50 (# 3783:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2223,2224,
&end
#
# 144 LEU MDX 144 LEU HB- 4.50 (# 3784:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2223,2224,
&end
#
# 144 LEU MDY 144 LEU HB+ 4.50 (# 3785:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2223,2224,
&end
#
# 144 LEU MDY 144 LEU HB- 4.50 (# 3786:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2223,2224,
&end
#
# 135 GLY HN 144 LEU HG 5.50 (# 3787:25 Unique 3.00, 4.76 A)
&rst
ixpk= 3787, nxpk= 25, iat=2085,2226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3788 144 LEU HG 5.50 (# 3788:25 Single Ambig)
&rst
ixpk= 3788, nxpk= 25, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2219,2238,
&end
#
# 144 LEU HA 144 LEU HG 5.50 (# 3791:25 Unique 2.13, 3.39 A)
&rst
ixpk= 3791, nxpk= 25, iat=2221,2226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3792 144 LEU HG 5.50 (# 3792:25 Single Ambig)
&rst
ixpk= 3792, nxpk= 25, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2202,2061,2062,2061,2062,
&end
#
# 144 LEU HB+ 144 LEU HG 3.50 (# 3793:25 Unique 2.33, 2.55 A)
&rst
ixpk= 3793, nxpk= 25, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2223,2224,
&end
#
# 0 AMB 25-2:3794 144 LEU HG 4.50 (# 3794:25 Single Ambig)
&rst
ixpk= 3794, nxpk= 25, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,
&end
#
# 144 LEU MDX 144 LEU HG 3.50 (# 3795:25 Unique 2.37, 2.64 A)
&rst
ixpk= 3795, nxpk= 25, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU MDY 144 LEU HG 3.50 (# 3796:25 Unique 2.37, 2.64 A)
&rst
ixpk= 3796, nxpk= 25, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2228,2229,2230,2232,2233,2234,
&end
#
# 135 GLY HN 144 LEU MDX 5.50 (# 3797:25 Unique 2.45, 4.79 A)
&rst
ixpk= 3797, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 30 GLY HN 144 LEU MDX 5.50 (# 3798:25 Unique 2.49, 4.61 A)
&rst
ixpk= 3798, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 134 LEU HN 144 LEU MDX 5.50 (# 3799:25 Unique 3.59, 6.44 A)
&rst
ixpk= 3799, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3800 144 LEU MDX 4.50 (# 3800:25 Single Ambig)
&rst
ixpk= 3800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2219,2238,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3801 144 LEU MDX 5.50 (# 3801:25 Single Ambig)
&rst
ixpk= 3801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 238, 239,2059,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 116 ILE HN 144 LEU MDX 5.50 (# 3802:25 Unique 5.66, 7.50 A)
&rst
ixpk= 3802, nxpk= 25, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 19 PHE HE 144 LEU MDX 5.50 (# 3803:25 Unique 2.60, 5.39 A)
&rst
ixpk= 3803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 268, 272,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 134 LEU HA 144 LEU MDX 5.50 (# 3805:25 Unique 2.29, 4.67 A)
&rst
ixpk= 3805, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 135 GLY HA+ 144 LEU MDX 5.50 (# 3806:25 Unique 2.96, 5.64 A)
&rst
ixpk= 3806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2087,2088,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU HA 144 LEU MDX 5.50 (# 3807:25 Unique 2.16, 3.47 A)
&rst
ixpk= 3807, nxpk= 25, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3808 144 LEU MDX 4.50 (# 3808:25 Single Ambig)
&rst
ixpk= 3808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2202,2061,2062,2061,2062,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3809 144 LEU MDX 5.50 (# 3809:25 Single Ambig)
&rst
ixpk= 3809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 438, 439,2087,2088,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3810 144 LEU MDX 4.50 (# 3810:25 Single Ambig)
&rst
ixpk= 3810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1800,1801,1719,1720,1719,1720,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU HB+ 144 LEU MDX 3.50 (# 3811:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2223,2224,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3812 144 LEU MDX 3.50 (# 3812:25 Single Ambig)
&rst
ixpk= 3812, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2226,2188,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU HB- 144 LEU MDX 2.80 (# 3813:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3813, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2223,2224,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3814 144 LEU MDX 5.50 (# 3814:25 Single Ambig)
&rst
ixpk= 3814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 303, 304, 305, 307, 308, 309,2206,2207,2208,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3815 144 LEU MDX 2.80 (# 3815:25 Single Ambig)
&rst
ixpk= 3815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1796,1797,1798,1724,1725,1726,1728,1729,1730,1803,
1804,1805,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3816 144 LEU MDX 4.50 (# 3816:25 Single Ambig)
&rst
ixpk= 3816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 135 GLY HN 144 LEU MDY 5.50 (# 3818:25 Unique 2.45, 4.79 A)
&rst
ixpk= 3818, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 30 GLY HN 144 LEU MDY 5.50 (# 3819:25 Unique 2.49, 4.61 A)
&rst
ixpk= 3819, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3820 144 LEU MDY 4.50 (# 3820:25 Single Ambig)
&rst
ixpk= 3820, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2219,2238,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 19 PHE HE 144 LEU MDY 5.50 (# 3822:25 Unique 2.60, 5.39 A)
&rst
ixpk= 3822, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 268, 272,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 29 TYR HD 144 LEU MDY 5.50 (# 3825:25 Unique 5.26, 8.63 A)
&rst
ixpk= 3825, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 423, 432,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 30 GLY HA+ 144 LEU MDY 5.50 (# 3826:25 Unique 2.25, 4.73 A)
&rst
ixpk= 3826, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 438, 439,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 134 LEU HA 144 LEU MDY 5.50 (# 3827:25 Unique 2.29, 4.67 A)
&rst
ixpk= 3827, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU HA 144 LEU MDY 3.50 (# 3828:25 Unique 2.16, 3.47 A)
&rst
ixpk= 3828, nxpk= 25, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3829 144 LEU MDY 5.50 (# 3829:25 Single Ambig)
&rst
ixpk= 3829, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2202,2061,2062,2061,2062,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3830 144 LEU MDY 4.50 (# 3830:25 Single Ambig)
&rst
ixpk= 3830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 438, 439,2087,2088,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU HB+ 144 LEU MDY 4.50 (# 3831:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3831, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2223,2224,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3832 144 LEU MDY 2.80 (# 3832:25 Single Ambig)
&rst
ixpk= 3832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2226,2188,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3833 144 LEU MDY 3.50 (# 3833:25 Single Ambig)
&rst
ixpk= 3833, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2185,2186,2185,2186,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 144 LEU HB- 144 LEU MDY 3.50 (# 3834:25 Unique 2.38, 3.49 A)
&rst
ixpk= 3834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2223,2224,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 143 ILE QG2 144 LEU MDY 5.50 (# 3835:25 Unique 5.41, 7.67 A)
&rst
ixpk= 3835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2206,2207,2208,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3836 144 LEU MDY 4.50 (# 3836:25 Single Ambig)
&rst
ixpk= 3836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1796,1797,1798,1724,1725,1726,1728,1729,1730,1803,
1804,1805,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 0 AMB 25-2:3837 144 LEU MDY 2.80 (# 3837:25 Single Ambig)
&rst
ixpk= 3837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1724,1725,1726,1728,1729,1730,2190,2191,2192,2194,
2195,2196,
igr2=2228,2229,2230,2232,2233,2234,
&end
#
# 146 ASN HN 145 VAL HA 4.50 (# 3841:25 Unique 2.17, 2.26 A)
&rst
ixpk= 3841, nxpk= 25, iat=2254,2240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 THR HN 145 VAL HA 5.50 (# 3842:25 Unique 3.27, 4.69 A)
&rst
ixpk= 3842, nxpk= 25, iat=2045,2240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL HN 145 VAL HA 5.50 (# 3843:25 Unique 2.79, 2.85 A)
&rst
ixpk= 3843, nxpk= 25, iat=2238,2240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 VAL HB 145 VAL HA 4.50 (# 3846:25 Unique 3.03, 3.06 A)
&rst
ixpk= 3846, nxpk= 25, iat=2242,2240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3848 145 VAL HA 4.50 (# 3848:25 Single Ambig)
&rst
ixpk= 3848, nxpk= 25, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2051,2052,2053,2244,2245,2246,2248,2249,2250,
&end
#
# 145 VAL MGX 145 VAL HA 3.50 (# 3849:25 Unique 2.44, 3.19 A)
&rst
ixpk= 3849, nxpk= 25, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3850 145 VAL HA 5.50 (# 3850:25 Single Ambig)
&rst
ixpk= 3850, nxpk= 25, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 419, 420,2035,2036,2037,2039,2040,2041,2035,2036,
2037,2039,2040,2041,1430,1431,1432,1434,1435,1436,
&end
#
# 145 VAL HN 145 VAL HB 3.50 (# 3852:25 Unique 2.26, 2.48 A)
&rst
ixpk= 3852, nxpk= 25, iat=2238,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 VAL HA 145 VAL HB 3.50 (# 3853:25 Unique 3.03, 3.06 A)
&rst
ixpk= 3853, nxpk= 25, iat=2240,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3855 145 VAL HB 2.80 (# 3855:25 Single Ambig)
&rst
ixpk= 3855, nxpk= 25, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 449, 450, 451,2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3856 145 VAL HB 4.50 (# 3856:25 Single Ambig)
&rst
ixpk= 3856, nxpk= 25, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,
&end
#
# 145 VAL MGX 145 VAL HB 2.80 (# 3857:25 Unique 2.40, 2.67 A)
&rst
ixpk= 3857, nxpk= 25, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2244,2245,2246,2248,2249,2250,
&end
#
# 146 ASN HN 145 VAL HB 4.50 (# 3858:25 Unique 3.88, 4.14 A)
&rst
ixpk= 3858, nxpk= 25, iat=2254,2242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 ASN HN 145 VAL MGY 5.50 (# 3859:25 Unique 2.39, 4.22 A)
&rst
ixpk= 3859, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3860 145 VAL MGY 5.50 (# 3860:25 Single Ambig)
&rst
ixpk= 3860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 443, 415,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 30 GLY HN 145 VAL MGY 5.50 (# 3861:25 Unique 3.18, 6.00 A)
&rst
ixpk= 3861, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 145 VAL HN 145 VAL MGY 3.50 (# 3862:25 Unique 1.99, 3.76 A)
&rst
ixpk= 3862, nxpk= 25, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 29 TYR HD 145 VAL MGY 3.50 (# 3864:25 Unique 2.23, 6.25 A)
&rst
ixpk= 3864, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 423, 432,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 29 TYR HE 145 VAL MGY 3.50 (# 3865:25 Unique 3.04, 7.22 A)
&rst
ixpk= 3865, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 425, 430,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 29 TYR HA 145 VAL MGY 5.50 (# 3866:25 Unique 4.20, 7.08 A)
&rst
ixpk= 3866, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 31 ILE HA 145 VAL MGY 5.50 (# 3867:25 Unique 4.04, 5.46 A)
&rst
ixpk= 3867, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3868 145 VAL MGY 3.50 (# 3868:25 Single Ambig)
&rst
ixpk= 3868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2240,2221,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3869 145 VAL MGY 2.80 (# 3869:25 Single Ambig)
&rst
ixpk= 3869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2242, 419, 420,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 31 ILE HG1- 145 VAL MGY 2.80 (# 3870:25 Unique 2.37, 4.61 A)
&rst
ixpk= 3870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 453, 454,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3872 145 VAL MGY 2.80 (# 3872:25 Single Ambig)
&rst
ixpk= 3872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 456, 457, 458,2206,2207,2208,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 150 LEU MDX 145 VAL MGY 3.50 (# 3873:25 Unique 2.29, 6.29 A)
&rst
ixpk= 3873, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2333,2334,2335,2337,2338,2339,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3874 145 VAL MGY 2.80 (# 3874:25 Single Ambig)
&rst
ixpk= 3874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 419, 420,1430,1431,1432,1434,1435,1436,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 150 LEU MDY 145 VAL MGY 5.50 (# 3875:25 Unique 2.29, 6.29 A)
&rst
ixpk= 3875, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2333,2334,2335,2337,2338,2339,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 100 ILE QD1 145 VAL MGY 4.50 (# 3876:25 Unique 2.71, 5.16 A)
&rst
ixpk= 3876, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1573,1574,1575,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 144 LEU MDY 145 VAL MGY 5.50 (# 3877:25 Unique 4.84, 8.58 A)
&rst
ixpk= 3877, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 146 ASN HN 145 VAL MGX 4.50 (# 3878:25 Unique 2.39, 4.22 A)
&rst
ixpk= 3878, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 145 VAL HN 145 VAL MGX 4.50 (# 3879:25 Unique 1.99, 3.76 A)
&rst
ixpk= 3879, nxpk= 25, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 22 PHE HE 145 VAL MGX 5.50 (# 3880:25 Unique 2.58, 5.82 A)
&rst
ixpk= 3880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 323, 327,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 29 TYR HD 145 VAL MGX 4.50 (# 3882:25 Unique 2.23, 6.25 A)
&rst
ixpk= 3882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 423, 432,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 145 VAL HA 145 VAL MGX 3.50 (# 3883:25 Unique 2.44, 3.19 A)
&rst
ixpk= 3883, nxpk= 25, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 147 ILE HA 145 VAL MGX 4.50 (# 3884:25 Unique 2.42, 5.26 A)
&rst
ixpk= 3884, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 147 ILE HB 145 VAL MGX 2.80 (# 3886:25 Unique 2.32, 4.70 A)
&rst
ixpk= 3886, nxpk= 25, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 100 ILE QD1 145 VAL MGX 4.50 (# 3887:25 Unique 2.71, 5.16 A)
&rst
ixpk= 3887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1573,1574,1575,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 0 AMB 25-2:3888 145 VAL MGX 4.50 (# 3888:25 Single Ambig)
&rst
ixpk= 3888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2328,2329,2331,
igr2=2244,2245,2246,2248,2249,2250,
&end
#
# 146 ASN HN 146 ASN HB+ 4.50 (# 3889:25 Unique 2.33, 2.70 A)
&rst
ixpk= 3889, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2258,2259,
&end
#
# 146 ASN HN 146 ASN HB- 4.50 (# 3890:25 Unique 2.33, 2.70 A)
&rst
ixpk= 3890, nxpk= 25, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2258,2259,
&end
#
# 146 ASN HD2+ 146 ASN HB+ 5.50 (# 3891:25 Unique 2.21, 3.24 A)
&rst
ixpk= 3891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2263,2264,
igr2=2258,2259,
&end
#
# 146 ASN HD2+ 146 ASN HB- 4.50 (# 3892:25 Unique 2.21, 3.24 A)
&rst
ixpk= 3892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2263,2264,
igr2=2258,2259,
&end
#
# 146 ASN HD2- 146 ASN HB+ 5.50 (# 3893:25 Unique 2.21, 3.24 A)
&rst
ixpk= 3893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2263,2264,
igr2=2258,2259,
&end
#
# 146 ASN HD2- 146 ASN HB- 5.50 (# 3894:25 Unique 2.21, 3.24 A)
&rst
ixpk= 3894, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2263,2264,
igr2=2258,2259,
&end
#
# 146 ASN HA 146 ASN HB+ 4.50 (# 3895:25 Unique 2.39, 2.70 A)
&rst
ixpk= 3895, nxpk= 25, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2258,2259,
&end
#
# 146 ASN HA 146 ASN HB- 4.50 (# 3896:25 Unique 2.39, 2.70 A)
&rst
ixpk= 3896, nxpk= 25, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2258,2259,
&end
#
# 130 TYR HA 146 ASN HB+ 5.50 (# 3897:25 Unique 2.20, 4.51 A)
&rst
ixpk= 3897, nxpk= 25, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2258,2259,
&end
#
# 130 TYR HA 146 ASN HB- 5.50 (# 3898:25 Unique 2.20, 4.51 A)
&rst
ixpk= 3898, nxpk= 25, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2258,2259,
&end
#
# 0 AMB 25-2:3899 0 AMB 25-1:3899 5.50 (# 3899:25 Double Ambig)
&rst
ixpk= 3899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2051,2052,2053,2244,2245,2246,2248,2249,2250,
igr2=2258,2259,2258,2259,
&end
#
# 0 AMB 25-2:3900 146 ASN HB- 5.50 (# 3900:25 Single Ambig)
&rst
ixpk= 3900, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2051,2052,2053,2244,2245,2246,2248,2249,2250,
igr2=2258,2259,
&end
#
# 148 GLU HN 148 GLU HA 3.50 (# 3901:25 Unique 2.11, 2.64 A)
&rst
ixpk= 3901, nxpk= 25, iat=2287,2289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 LEU HN 148 GLU HA 5.50 (# 3902:25 Unique 4.52, 5.64 A)
&rst
ixpk= 3902, nxpk= 25, iat=2343,2289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 LYS HN 148 GLU HA 5.50 (# 3903:25 Unique 2.97, 3.42 A)
&rst
ixpk= 3903, nxpk= 25, iat=2302,2289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3904 148 GLU HA 2.80 (# 3904:25 Single Ambig)
&rst
ixpk= 3904, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3905 148 GLU HA 2.80 (# 3905:25 Single Ambig)
&rst
ixpk= 3905, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2291,2292,2291,2292,
&end
#
# 93 LEU HB+ 148 GLU HA 4.50 (# 3906:25 Unique 2.10, 4.21 A)
&rst
ixpk= 3906, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1458,1459,
&end
#
# 0 AMB 25-2:3907 148 GLU HA 5.50 (# 3907:25 Single Ambig)
&rst
ixpk= 3907, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2278,2279, 519, 520,2328,2329,
&end
#
# 147 ILE QG2 148 GLU HA 5.50 (# 3908:25 Unique 3.45, 4.96 A)
&rst
ixpk= 3908, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2274,2275,2276,
&end
#
# 147 ILE QD1 148 GLU HA 5.50 (# 3909:25 Unique 3.04, 5.29 A)
&rst
ixpk= 3909, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2281,2282,2283,
&end
#
# 0 AMB 25-2:3910 148 GLU HA 3.50 (# 3910:25 Single Ambig)
&rst
ixpk= 3910, nxpk= 25, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
&end
#
# 149 LYS HN 148 GLU HB+ 4.50 (# 3911:25 Unique 2.91, 3.73 A)
&rst
ixpk= 3911, nxpk= 25, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2291,2292,
&end
#
# 149 LYS HN 148 GLU HB- 4.50 (# 3912:25 Unique 2.91, 3.73 A)
&rst
ixpk= 3912, nxpk= 25, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2291,2292,
&end
#
# 0 AMB 25-2:3914 0 AMB 25-1:3914 3.50 (# 3914:25 Double Ambig)
&rst
ixpk= 3914, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2387,2402,
igr2=2391,2392,2391,2392,2391,2392,
&end
#
# 148 GLU HN 148 GLU HB+ 2.80 (# 3915:25 Unique 2.09, 3.17 A)
&rst
ixpk= 3915, nxpk= 25, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2291,2292,
&end
#
# 148 GLU HN 148 GLU HB- 2.80 (# 3916:25 Unique 2.09, 3.17 A)
&rst
ixpk= 3916, nxpk= 25, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2291,2292,
&end
#
# 152 ASN HD2- 148 GLU HB+ 5.50 (# 3917:25 Unique 4.32, 6.03 A)
&rst
ixpk= 3917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2371,2372,
igr2=2291,2292,
&end
#
# 152 ASN HD2- 148 GLU HB- 5.50 (# 3918:25 Unique 4.32, 6.03 A)
&rst
ixpk= 3918, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2371,2372,
igr2=2291,2292,
&end
#
# 148 GLU HA 148 GLU HB- 2.80 (# 3919:25 Unique 2.40, 2.79 A)
&rst
ixpk= 3919, nxpk= 25, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2291,2292,
&end
#
# 148 GLU HA 148 GLU HB+ 2.80 (# 3920:25 Unique 2.40, 2.79 A)
&rst
ixpk= 3920, nxpk= 25, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2291,2292,
&end
#
# 0 AMB 25-2:3921 0 AMB 25-1:3921 5.50 (# 3921:25 Double Ambig)
&rst
ixpk= 3921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2=2291,2292,2291,2292,
&end
#
# 0 AMB 25-2:3922 0 AMB 25-1:3922 5.50 (# 3922:25 Double Ambig)
&rst
ixpk= 3922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2352,2353,2354,2356,2357,2358,1069,1070,1071,1073,
1074,1075,
igr2=2391,2392,2391,2392,2391,2392,
&end
#
# 94 GLY HN 0 AMB 25-1:3923 4.50 (# 3923:25 Single Ambig)
&rst
ixpk= 3923, nxpk= 25, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2294,2295,2294,2295,
&end
#
# 148 GLU HN 0 AMB 25-1:3924 3.50 (# 3924:25 Single Ambig)
&rst
ixpk= 3924, nxpk= 25, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3926 0 AMB 25-1:3926 5.50 (# 3926:25 Double Ambig)
&rst
ixpk= 3926, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2371,2372,2371,2372,
igr2=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3927 0 AMB 25-1:3927 4.50 (# 3927:25 Double Ambig)
&rst
ixpk= 3927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2302,1449,1450,1449,1450,
igr2=2294,2295,2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3929 0 AMB 25-1:3929 5.50 (# 3929:25 Double Ambig)
&rst
ixpk= 3929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2371,2372,1449,1450,
igr2=2294,2295,2294,2295,2294,2295,
&end
#
# 148 GLU HA 0 AMB 25-1:3930 2.80 (# 3930:25 Single Ambig)
&rst
ixpk= 3930, nxpk= 25, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3931 0 AMB 25-1:3931 4.50 (# 3931:25 Double Ambig)
&rst
ixpk= 3931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 525, 526, 525, 526,
igr2=2294,2295,2294,2295,
&end
#
# 35 LYS HE- 0 AMB 25-1:3932 4.50 (# 3932:25 Single Ambig)
&rst
ixpk= 3932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 525, 526,
igr2=2294,2295,2294,2295,
&end
#
# 148 GLU HB- 0 AMB 25-1:3933 2.80 (# 3933:25 Single Ambig)
&rst
ixpk= 3933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2291,2292,
igr2=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3934 0 AMB 25-1:3934 4.50 (# 3934:25 Double Ambig)
&rst
ixpk= 3934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 522, 523, 522, 523, 522, 523,
igr2=2294,2295,2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3935 0 AMB 25-1:3935 4.50 (# 3935:25 Double Ambig)
&rst
ixpk= 3935, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 519, 520, 519, 520,2278,2279,
igr2=2294,2295,2294,2295,2294,2295,
&end
#
# 147 ILE QG2 0 AMB 25-1:3936 5.50 (# 3936:25 Single Ambig)
&rst
ixpk= 3936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2274,2275,2276,
igr2=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3937 0 AMB 25-1:3937 4.50 (# 3937:25 Double Ambig)
&rst
ixpk= 3937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1463,1464,1465,1467,1468,1469,1463,1464,1465,1467,
1468,1469,
igr2=2294,2295,2294,2295,2294,2295,
&end
#
# 147 ILE QD1 0 AMB 25-1:3938 5.50 (# 3938:25 Single Ambig)
&rst
ixpk= 3938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2281,2282,2283,
igr2=2294,2295,2294,2295,
&end
#
# 0 AMB 25-2:3939 0 AMB 25-1:3939 5.50 (# 3939:25 Double Ambig)
&rst
ixpk= 3939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2324,2371,2372,
igr2=2306,2307,2306,2307,
&end
#
# 0 AMB 25-2:3940 149 LYS HB- 5.50 (# 3940:25 Single Ambig)
&rst
ixpk= 3940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2324,2371,2372,
igr2=2306,2307,
&end
#
# 149 LYS HN 149 LYS HB+ 4.50 (# 3941:25 Unique 2.36, 2.97 A)
&rst
ixpk= 3941, nxpk= 25, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2306,2307,
&end
#
# 149 LYS HN 149 LYS HB- 4.50 (# 3942:25 Unique 2.36, 2.97 A)
&rst
ixpk= 3942, nxpk= 25, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2306,2307,
&end
#
# 149 LYS HA 149 LYS HB+ 4.50 (# 3943:25 Unique 2.43, 2.79 A)
&rst
ixpk= 3943, nxpk= 25, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2306,2307,
&end
#
# 149 LYS HA 149 LYS HB- 4.50 (# 3944:25 Unique 2.43, 2.79 A)
&rst
ixpk= 3944, nxpk= 25, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2306,2307,
&end
#
# 146 ASN HB- 149 LYS HB+ 5.50 (# 3945:25 Unique 2.51, 5.19 A)
&rst
ixpk= 3945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2258,2259,
igr2=2306,2307,
&end
#
# 150 LEU HB+ 149 LYS HB+ 5.50 (# 3947:25 Unique 4.37, 5.76 A)
&rst
ixpk= 3947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2328,2329,
igr2=2306,2307,
&end
#
# 150 LEU HB+ 149 LYS HB- 5.50 (# 3948:25 Unique 4.37, 5.76 A)
&rst
ixpk= 3948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2328,2329,
igr2=2306,2307,
&end
#
# 151 LEU HN 150 LEU HA 5.50 (# 3949:25 Unique 3.52, 3.66 A)
&rst
ixpk= 3949, nxpk= 25, iat=2343,2326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU HN 150 LEU HA 4.50 (# 3950:25 Unique 2.20, 2.67 A)
&rst
ixpk= 3950, nxpk= 25, iat=2324,2326, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TYR HD 150 LEU HA 5.50 (# 3952:25 Unique 2.44, 6.14 A)
&rst
ixpk= 3952, nxpk= 25, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2013,2022,
&end
#
# 150 LEU HB+ 150 LEU HA 3.50 (# 3953:25 Unique 2.31, 2.73 A)
&rst
ixpk= 3953, nxpk= 25, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2328,2329,
&end
#
# 0 AMB 25-2:3954 150 LEU HA 3.50 (# 3954:25 Single Ambig)
&rst
ixpk= 3954, nxpk= 25, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2328,2329,2331,
&end
#
# 150 LEU MDX 150 LEU HA 3.50 (# 3955:25 Unique 2.25, 4.14 A)
&rst
ixpk= 3955, nxpk= 25, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU MDY 150 LEU HA 4.50 (# 3956:25 Unique 2.25, 4.14 A)
&rst
ixpk= 3956, nxpk= 25, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 151 LEU HN 150 LEU HB+ 5.50 (# 3957:25 Unique 2.09, 3.10 A)
&rst
ixpk= 3957, nxpk= 25, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2328,2329,
&end
#
# 151 LEU HN 150 LEU HB- 4.50 (# 3958:25 Unique 2.09, 3.10 A)
&rst
ixpk= 3958, nxpk= 25, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2328,2329,
&end
#
# 150 LEU HN 150 LEU HB+ 4.50 (# 3959:25 Unique 2.17, 2.48 A)
&rst
ixpk= 3959, nxpk= 25, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2328,2329,
&end
#
# 150 LEU HN 150 LEU HB- 4.50 (# 3960:25 Unique 2.17, 2.48 A)
&rst
ixpk= 3960, nxpk= 25, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2328,2329,
&end
#
# 147 ILE HA 150 LEU HB+ 5.50 (# 3961:25 Unique 2.18, 2.94 A)
&rst
ixpk= 3961, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2328,2329,
&end
#
# 147 ILE HA 150 LEU HB- 5.50 (# 3962:25 Unique 2.18, 2.94 A)
&rst
ixpk= 3962, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2328,2329,
&end
#
# 150 LEU HA 150 LEU HB+ 5.50 (# 3963:25 Unique 2.31, 2.73 A)
&rst
ixpk= 3963, nxpk= 25, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2328,2329,
&end
#
# 150 LEU HA 150 LEU HB- 5.50 (# 3964:25 Unique 2.31, 2.73 A)
&rst
ixpk= 3964, nxpk= 25, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2328,2329,
&end
#
# 150 LEU MDX 150 LEU HB+ 4.50 (# 3965:25 Unique 2.32, 3.32 A)
&rst
ixpk= 3965, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2333,2334,2335,2337,2338,2339,
igr2=2328,2329,
&end
#
# 150 LEU MDX 150 LEU HB- 3.50 (# 3966:25 Unique 2.32, 3.32 A)
&rst
ixpk= 3966, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2333,2334,2335,2337,2338,2339,
igr2=2328,2329,
&end
#
# 150 LEU MDY 150 LEU HB+ 4.50 (# 3967:25 Unique 2.32, 3.32 A)
&rst
ixpk= 3967, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2333,2334,2335,2337,2338,2339,
igr2=2328,2329,
&end
#
# 150 LEU MDY 150 LEU HB- 4.50 (# 3968:25 Unique 2.32, 3.32 A)
&rst
ixpk= 3968, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2333,2334,2335,2337,2338,2339,
igr2=2328,2329,
&end
#
# 150 LEU MDY 150 LEU HG 2.80 (# 3969:25 Unique 2.35, 2.67 A)
&rst
ixpk= 3969, nxpk= 25, iat= -1,2331, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 151 LEU HN 150 LEU MDX 5.50 (# 3970:25 Unique 2.68, 4.63 A)
&rst
ixpk= 3970, nxpk= 25, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU HN 150 LEU MDX 5.50 (# 3971:25 Unique 4.26, 5.17 A)
&rst
ixpk= 3971, nxpk= 25, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 130 TYR HD 150 LEU MDX 4.50 (# 3974:25 Unique 3.44, 8.79 A)
&rst
ixpk= 3974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2013,2022,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 147 ILE HA 150 LEU MDX 5.50 (# 3977:25 Unique 2.67, 4.95 A)
&rst
ixpk= 3977, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU HA 150 LEU MDX 4.50 (# 3979:25 Unique 2.25, 4.14 A)
&rst
ixpk= 3979, nxpk= 25, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3980 150 LEU MDX 5.50 (# 3980:25 Single Ambig)
&rst
ixpk= 3980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1166,1167,1166,1167,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3981 150 LEU MDX 5.50 (# 3981:25 Single Ambig)
&rst
ixpk= 3981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2391,2392,2391,2392,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 147 ILE HB 150 LEU MDX 4.50 (# 3982:25 Unique 3.90, 6.45 A)
&rst
ixpk= 3982, nxpk= 25, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3983 150 LEU MDX 2.80 (# 3983:25 Single Ambig)
&rst
ixpk= 3983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2328,2329,2278,2279,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3984 150 LEU MDX 2.80 (# 3984:25 Single Ambig)
&rst
ixpk= 3984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2328,2329,2331,2278,2279,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 145 VAL MGY 150 LEU MDX 3.50 (# 3985:25 Unique 2.29, 6.29 A)
&rst
ixpk= 3985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2244,2245,2246,2248,2249,2250,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3986 150 LEU MDX 3.50 (# 3986:25 Single Ambig)
&rst
ixpk= 3986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1069,1070,1071,1073,1074,1075,2281,2282,2283,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 100 ILE QD1 150 LEU MDX 4.50 (# 3987:25 Unique 3.02, 6.55 A)
&rst
ixpk= 3987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1573,1574,1575,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU HN 150 LEU MDY 5.50 (# 3988:25 Unique 4.26, 5.17 A)
&rst
ixpk= 3988, nxpk= 25, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 130 TYR HD 150 LEU MDY 5.50 (# 3992:25 Unique 3.44, 8.79 A)
&rst
ixpk= 3992, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2013,2022,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 147 ILE HA 150 LEU MDY 5.50 (# 3993:25 Unique 2.67, 4.95 A)
&rst
ixpk= 3993, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU HA 150 LEU MDY 4.50 (# 3994:25 Unique 2.25, 4.14 A)
&rst
ixpk= 3994, nxpk= 25, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 130 TYR HB+ 150 LEU MDY 5.50 (# 3995:25 Unique 2.76, 7.74 A)
&rst
ixpk= 3995, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2009,2010,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3996 150 LEU MDY 5.50 (# 3996:25 Single Ambig)
&rst
ixpk= 3996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2272,1425,1426,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3997 150 LEU MDY 4.50 (# 3997:25 Single Ambig)
&rst
ixpk= 3997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1994,1995,2347,2348,2347,2348,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3998 150 LEU MDY 2.80 (# 3998:25 Single Ambig)
&rst
ixpk= 3998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2328,2329,2278,2279,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:3999 150 LEU MDY 2.80 (# 3999:25 Single Ambig)
&rst
ixpk= 3999, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2328,2329,2331,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 100 ILE HG1+ 150 LEU MDY 4.50 (# 4000:25 Unique 3.97, 7.33 A)
&rst
ixpk= 4000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1570,1571,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:4001 150 LEU MDY 2.80 (# 4001:25 Single Ambig)
&rst
ixpk= 4001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1069,1070,1071,1073,1074,1075,2244,2245,2246,2248,
2249,2250,2281,2282,2283,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 0 AMB 25-2:4002 150 LEU MDY 2.80 (# 4002:25 Single Ambig)
&rst
ixpk= 4002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2352,2353,2354,2356,2357,2358,1430,1431,1432,1434,
1435,1436,1566,1567,1568,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 100 ILE QD1 150 LEU MDY 3.50 (# 4003:25 Unique 3.02, 6.55 A)
&rst
ixpk= 4003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1573,1574,1575,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 151 LEU HN 0 AMB 25-1:4004 4.50 (# 4004:25 Single Ambig)
&rst
ixpk= 4004, nxpk= 25, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2347,2348,2347,2348,
&end
#
# 0 AMB 25-2:4005 0 AMB 25-1:4005 5.50 (# 4005:25 Double Ambig)
&rst
ixpk= 4005, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2371,2372,2371,2372,
igr2=2347,2348,2347,2348,
&end
#
# 151 LEU HA 0 AMB 25-1:4006 4.50 (# 4006:25 Single Ambig)
&rst
ixpk= 4006, nxpk= 25, iat=2345, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2347,2348,2347,2348,
&end
#
# 152 ASN HB- 0 AMB 25-1:4008 4.50 (# 4008:25 Single Ambig)
&rst
ixpk= 4008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2366,2367,
igr2=2347,2348,2347,2348,
&end
#
# 0 AMB 25-2:4013 157 ALA HA 4.50 (# 4013:25 Single Ambig)
&rst
ixpk= 4013, nxpk= 25, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2482,2417,
&end
#
# 161 SER HN 157 ALA HA 5.50 (# 4014:25 Unique 4.36, 5.27 A)
&rst
ixpk= 4014, nxpk= 25, iat=2494,2436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 LEU HN 157 ALA HA 4.50 (# 4015:25 Unique 3.54, 3.56 A)
&rst
ixpk= 4015, nxpk= 25, iat=2444,2436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 157 ALA HN 157 ALA HA 2.80 (# 4016:25 Unique 2.80, 2.86 A)
&rst
ixpk= 4016, nxpk= 25, iat=2434,2436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-2:4017 157 ALA HA 4.50 (# 4017:25 Single Ambig)
&rst
ixpk= 4017, nxpk= 25, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2486,2487,2486,2487,
&end
#
# 0 AMB 25-2:4020 157 ALA HA 2.80 (# 4020:25 Single Ambig)
&rst
ixpk= 4020, nxpk= 25, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=2438,2439,2440, 797, 798,
&end
#
# 0 AMB 25-2:4021 157 ALA HA 5.50 (# 4021:25 Single Ambig)
&rst
ixpk= 4021, nxpk= 25, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2472,2473,2474,2476,2477,2478,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 0 AMB 25-2:4023 157 ALA MB 5.50 (# 4023:25 Single Ambig)
&rst
ixpk= 4023, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2494,2505,
igr2=2438,2439,2440,
&end
#
# 158 LEU HN 157 ALA MB 3.50 (# 4024:25 Unique 2.31, 3.36 A)
&rst
ixpk= 4024, nxpk= 25, iat=2444, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2438,2439,2440,
&end
#
# 157 ALA HN 157 ALA MB 2.80 (# 4026:25 Unique 2.34, 2.91 A)
&rst
ixpk= 4026, nxpk= 25, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2438,2439,2440,
&end
#
# 157 ALA HA 157 ALA MB 2.80 (# 4027:25 Unique 2.43, 2.66 A)
&rst
ixpk= 4027, nxpk= 25, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2438,2439,2440,
&end
#
# 54 PHE HB- 157 ALA MB 5.50 (# 4028:25 Unique 2.28, 5.29 A)
&rst
ixpk= 4028, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 821, 822,
igr2=2438,2439,2440,
&end
#
# 0 AMB 25-2:4029 157 ALA MB 4.50 (# 4029:25 Single Ambig)
&rst
ixpk= 4029, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2394,2395,2394,2395,
igr2=2438,2439,2440,
&end
#
# 0 AMB 25-2:4030 157 ALA MB 3.50 (# 4030:25 Single Ambig)
&rst
ixpk= 4030, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2391,2392,2391,2392, 800, 801,
igr2=2438,2439,2440,
&end
#
# 158 LEU HB+ 157 ALA MB 4.50 (# 4031:25 Unique 3.69, 5.49 A)
&rst
ixpk= 4031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2448,2449,
igr2=2438,2439,2440,
&end
#
# 0 AMB 25-2:4032 157 ALA MB 4.50 (# 4032:25 Single Ambig)
&rst
ixpk= 4032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
igr2=2438,2439,2440,
&end
#
# 160 ASP HN 159 LEU HA 4.50 (# 4033:25 Unique 3.37, 3.51 A)
&rst
ixpk= 4033, nxpk= 25, iat=2482,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4034 159 LEU HA 5.50 (# 4034:25 Single Ambig)
&rst
ixpk= 4034, nxpk= 25, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2505,2515,2494,
&end
#
# 159 LEU HN 159 LEU HA 4.50 (# 4035:25 Unique 2.81, 2.84 A)
&rst
ixpk= 4035, nxpk= 25, iat=2463,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 159 LEU HB- 159 LEU HA 3.50 (# 4036:25 Unique 2.15, 2.41 A)
&rst
ixpk= 4036, nxpk= 25, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2467,2468,
&end
#
# 0 AMB 25-2:4037 159 LEU HA 3.50 (# 4037:25 Single Ambig)
&rst
ixpk= 4037, nxpk= 25, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2509,2510,2511,2519,2520,2521,
&end
#
# 0 AMB 25-2:4038 159 LEU HA 3.50 (# 4038:25 Single Ambig)
&rst
ixpk= 4038, nxpk= 25, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2472,2473,2474,2476,2477,2478,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 159 LEU MDY 159 LEU HA 4.50 (# 4039:25 Unique 2.17, 4.72 A)
&rst
ixpk= 4039, nxpk= 25, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2472,2473,2474,2476,2477,2478,
&end
#
# 160 ASP HN 159 LEU HB+ 5.50 (# 4040:25 Unique 3.23, 4.19 A)
&rst
ixpk= 4040, nxpk= 25, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2467,2468,
&end
#
# 160 ASP HN 159 LEU HB- 5.50 (# 4041:25 Unique 3.23, 4.19 A)
&rst
ixpk= 4041, nxpk= 25, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2467,2468,
&end
#
# 159 LEU HN 159 LEU HB+ 3.50 (# 4042:25 Unique 2.21, 2.99 A)
&rst
ixpk= 4042, nxpk= 25, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2467,2468,
&end
#
# 0 AMB 25-2:4043 159 LEU HB- 5.50 (# 4043:25 Single Ambig)
&rst
ixpk= 4043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2515,2494,
igr2=2467,2468,
&end
#
# 159 LEU HN 159 LEU HB- 3.50 (# 4044:25 Unique 2.21, 2.99 A)
&rst
ixpk= 4044, nxpk= 25, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2467,2468,
&end
#
# 163 ALA HA 159 LEU HB+ 4.50 (# 4045:25 Unique 2.99, 4.61 A)
&rst
ixpk= 4045, nxpk= 25, iat=2517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2467,2468,
&end
#
# 163 ALA HA 159 LEU HB- 3.50 (# 4046:25 Unique 2.99, 4.61 A)
&rst
ixpk= 4046, nxpk= 25, iat=2517, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2467,2468,
&end
#
# 159 LEU HA 159 LEU HB+ 4.50 (# 4047:25 Unique 2.15, 2.41 A)
&rst
ixpk= 4047, nxpk= 25, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2467,2468,
&end
#
# 159 LEU HA 159 LEU HB- 3.50 (# 4048:25 Unique 2.15, 2.41 A)
&rst
ixpk= 4048, nxpk= 25, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2467,2468,
&end
#
# 0 AMB 25-2:4049 159 LEU HB- 5.50 (# 4049:25 Single Ambig)
&rst
ixpk= 4049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1034,1035,2406,2407,2406,2407,
igr2=2467,2468,
&end
#
# 0 AMB 25-2:4050 0 AMB 25-1:4050 2.80 (# 4050:25 Double Ambig)
&rst
ixpk= 4050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2472,2473,2474,2476,2477,2478,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
igr2=2467,2468,2467,2468,2467,2468,
&end
#
# 0 AMB 25-2:4051 159 LEU HB- 2.80 (# 4051:25 Single Ambig)
&rst
ixpk= 4051, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2472,2473,2474,2476,2477,2478,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
igr2=2467,2468,
&end
#
# 0 AMB 25-2:4052 0 AMB 25-1:4052 3.50 (# 4052:25 Double Ambig)
&rst
ixpk= 4052, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2472,2473,2474,2476,2477,2478,2352,2353,2354,2356,
2357,2358,
igr2=2467,2468,2467,2468,
&end
#
# 55 ILE QD1 159 LEU HB- 5.50 (# 4053:25 Unique 2.51, 7.11 A)
&rst
ixpk= 4053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 850, 851, 852,
igr2=2467,2468,
&end
#
# 0 AMB 25-2:4055 159 LEU HB- 2.80 (# 4055:25 Single Ambig)
&rst
ixpk= 4055, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2472,2473,2474,2476,2477,2478,2352,2353,2354,2356,
2357,2358,
igr2=2467,2468,
&end
#
# 155 GLU HN 159 LEU MDX 5.50 (# 4056:25 Unique 5.42, 7.87 A)
&rst
ixpk= 4056, nxpk= 25, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 158 LEU HN 159 LEU MDX 5.50 (# 4057:25 Unique 4.51, 6.68 A)
&rst
ixpk= 4057, nxpk= 25, iat=2444, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU HN 159 LEU MDX 5.50 (# 4058:25 Unique 2.46, 4.39 A)
&rst
ixpk= 4058, nxpk= 25, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 156 MET HA 159 LEU MDX 4.50 (# 4062:25 Unique 2.25, 3.93 A)
&rst
ixpk= 4062, nxpk= 25, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU HA 159 LEU MDX 5.50 (# 4063:25 Unique 2.17, 4.72 A)
&rst
ixpk= 4063, nxpk= 25, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4065 159 LEU MDX 4.50 (# 4065:25 Single Ambig)
&rst
ixpk= 4065, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2409,2410,2409,2410,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4066 159 LEU MDX 3.50 (# 4066:25 Single Ambig)
&rst
ixpk= 4066, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2406,2407,2406,2407,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4067 159 LEU MDX 3.50 (# 4067:25 Single Ambig)
&rst
ixpk= 4067, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2421,2422,2421,2422,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU HB- 159 LEU MDX 2.80 (# 4069:25 Unique 2.35, 3.34 A)
&rst
ixpk= 4069, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2467,2468,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU HN 159 LEU MDY 5.50 (# 4072:25 Unique 2.46, 4.39 A)
&rst
ixpk= 4072, nxpk= 25, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 156 MET HA 159 LEU MDY 4.50 (# 4073:25 Unique 2.25, 3.93 A)
&rst
ixpk= 4073, nxpk= 25, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU HA 159 LEU MDY 4.50 (# 4074:25 Unique 2.17, 4.72 A)
&rst
ixpk= 4074, nxpk= 25, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4076 159 LEU MDY 3.50 (# 4076:25 Single Ambig)
&rst
ixpk= 4076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2406,2407,2406,2407,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4077 159 LEU MDY 4.50 (# 4077:25 Single Ambig)
&rst
ixpk= 4077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2421,2422,2421,2422,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 158 LEU HB+ 159 LEU MDY 5.50 (# 4078:25 Unique 4.13, 7.01 A)
&rst
ixpk= 4078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2448,2449,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 159 LEU HB- 159 LEU MDY 2.80 (# 4079:25 Unique 2.35, 3.34 A)
&rst
ixpk= 4079, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2467,2468,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 160 ASP HN 160 ASP HA 4.50 (# 4081:25 Unique 2.74, 2.82 A)
&rst
ixpk= 4081, nxpk= 25, iat=2482,2484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4082 160 ASP HA 3.50 (# 4082:25 Single Ambig)
&rst
ixpk= 4082, nxpk= 25, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2494,2505,2515,
&end
#
# 0 AMB 25-2:4083 160 ASP HA 2.80 (# 4083:25 Single Ambig)
&rst
ixpk= 4083, nxpk= 25, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2486,2487,2486,2487,
&end
#
# 163 ALA MB 160 ASP HA 4.50 (# 4084:25 Unique 2.97, 5.19 A)
&rst
ixpk= 4084, nxpk= 25, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2519,2520,2521,
&end
#
# 160 ASP HN 0 AMB 25-1:4086 2.80 (# 4086:25 Single Ambig)
&rst
ixpk= 4086, nxpk= 25, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2486,2487,2486,2487,
&end
#
# 161 SER HN 0 AMB 25-1:4087 3.50 (# 4087:25 Single Ambig)
&rst
ixpk= 4087, nxpk= 25, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2486,2487,2486,2487,
&end
#
# 158 LEU HN 0 AMB 25-1:4089 5.50 (# 4089:25 Single Ambig)
&rst
ixpk= 4089, nxpk= 25, iat=2444, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2486,2487,2486,2487,
&end
#
# 160 ASP HA 0 AMB 25-1:4091 2.80 (# 4091:25 Single Ambig)
&rst
ixpk= 4091, nxpk= 25, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2486,2487,2486,2487,
&end
#
# 157 ALA HA 0 AMB 25-1:4093 3.50 (# 4093:25 Single Ambig)
&rst
ixpk= 4093, nxpk= 25, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2486,2487,2486,2487,
&end
#
# 0 AMB 25-2:4095 0 AMB 25-1:4095 5.50 (# 4095:25 Double Ambig)
&rst
ixpk= 4095, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2498,2499,2498,2499,2498,2499,
igr2=2486,2487,2486,2487,2486,2487,
&end
#
# 52 PRO HG- 0 AMB 25-1:4096 4.50 (# 4096:25 Single Ambig)
&rst
ixpk= 4096, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 797, 798,
igr2=2486,2487,2486,2487,
&end
#
# 0 AMB 25-2:4097 161 SER HA 3.50 (# 4097:25 Single Ambig)
&rst
ixpk= 4097, nxpk= 25, iat= -1,2496, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2494,2505,2515,
&end
#
# 0 AMB 25-2:4098 161 SER HA 5.50 (# 4098:25 Single Ambig)
&rst
ixpk= 4098, nxpk= 25, iat= -1,2496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2567,2525,
&end
#
# 0 AMB 25-2:4100 161 SER HA 2.80 (# 4100:25 Single Ambig)
&rst
ixpk= 4100, nxpk= 25, iat= -1,2496, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2498,2499,2498,2499,
&end
#
# 0 AMB 25-2:4102 0 AMB 25-1:4102 3.50 (# 4102:25 Double Ambig)
&rst
ixpk= 4102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2494,2505,
igr2=2498,2499,2498,2499,2498,2499,
&end
#
# 161 SER HA 0 AMB 25-1:4103 2.80 (# 4103:25 Single Ambig)
&rst
ixpk= 4103, nxpk= 25, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2498,2499,2498,2499,
&end
#
# 0 AMB 25-2:4104 0 AMB 25-1:4104 2.80 (# 4104:25 Double Ambig)
&rst
ixpk= 4104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2515,2505,
igr2=2507,2517,
&end
#
# 0 AMB 25-2:4105 0 AMB 25-1:4105 4.50 (# 4105:25 Double Ambig)
&rst
ixpk= 4105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2525,2567,
igr2=2517,2507,
&end
#
# 166 VAL HB 162 ALA HA 5.50 (# 4107:25 Unique 2.35, 4.52 A)
&rst
ixpk= 4107, nxpk= 25, iat=2555,2507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:4108 162 ALA HA 5.50 (# 4108:25 Single Ambig)
&rst
ixpk= 4108, nxpk= 25, iat= -1,2507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 797, 798,2540,2541,
&end
#
# 0 AMB 25-2:4109 0 AMB 25-1:4109 5.50 (# 4109:25 Double Ambig)
&rst
ixpk= 4109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2451, 841,
igr2=2507,2517,
&end
#
# 0 AMB 25-2:4110 0 AMB 25-1:4110 2.80 (# 4110:25 Double Ambig)
&rst
ixpk= 4110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 746, 747,2509,2510,2511,2519,2520,2521,
igr2=2507,2517,
&end
#
# 0 AMB 25-2:4111 0 AMB 25-1:4111 2.80 (# 4111:25 Double Ambig)
&rst
ixpk= 4111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 742, 743, 744,2557,2558,2559,2561,2562,2563,2472,
2473,2474,2476,2477,2478,
igr2=2507,2517,
&end
#
# 0 AMB 25-2:4112 162 ALA HA 4.50 (# 4112:25 Single Ambig)
&rst
ixpk= 4112, nxpk= 25, iat= -1,2507, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 749, 750, 751, 891, 892, 893, 895, 896, 897, 891,
892, 893, 895, 896, 897,
&end
#
# 159 LEU MDY 163 ALA HA 4.50 (# 4113:25 Unique 2.59, 6.38 A)
&rst
ixpk= 4113, nxpk= 25, iat= -1,2517, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4114 0 AMB 25-1:4114 2.80 (# 4114:25 Double Ambig)
&rst
ixpk= 4114, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2515,2505,
igr2=2519,2520,2521,2509,2510,2511,
&end
#
# 0 AMB 25-2:4116 0 AMB 25-1:4116 2.80 (# 4116:25 Double Ambig)
&rst
ixpk= 4116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2507,2517,
igr2=2509,2510,2511,2519,2520,2521,
&end
#
# 159 LEU HA 0 AMB 25-1:4117 2.80 (# 4117:25 Single Ambig)
&rst
ixpk= 4117, nxpk= 25, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2509,2510,2511,2519,2520,2521,
&end
#
# 0 AMB 25-2:4119 0 AMB 25-1:4119 3.50 (# 4119:25 Double Ambig)
&rst
ixpk= 4119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=2557,2558,2559,2561,2562,2563,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,2472,2473,
2474,2476,2477,2478,
igr2=2519,2520,2521,2509,2510,2511,
&end
#
# 0 AMB 25-2:4120 162 ALA MB 2.80 (# 4120:25 Single Ambig)
&rst
ixpk= 4120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 850, 851, 852, 891, 892, 893, 895, 896, 897, 891,
892, 893, 895, 896, 897, 749, 750, 751,
igr2=2509,2510,2511,
&end
#
# 0 AMB 25-2:4121 0 AMB 25-1:4121 2.80 (# 4121:25 Double Ambig)
&rst
ixpk= 4121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 843, 844, 845,2472,2473,2474,2476,2477,2478, 891,
892, 893, 895, 896, 897, 749, 750, 751,
igr2=2509,2510,2511,2519,2520,2521,
&end
#
# 165 GLU HN 164 SER HA 4.50 (# 4122:25 Unique 2.56, 3.23 A)
&rst
ixpk= 4122, nxpk= 25, iat=2536,2527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 164 SER HN 164 SER HA 3.50 (# 4123:25 Unique 2.21, 2.65 A)
&rst
ixpk= 4123, nxpk= 25, iat=2525,2527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4125 164 SER HA 2.80 (# 4125:25 Single Ambig)
&rst
ixpk= 4125, nxpk= 25, iat= -1,2527, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2529,2530,2529,2530,
&end
#
# 167 ALA MB 164 SER HA 5.50 (# 4127:25 Unique 2.58, 4.50 A)
&rst
ixpk= 4127, nxpk= 25, iat= -1,2527, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2571,2572,2573,
&end
#
# 167 ALA HN 166 VAL HA 3.50 (# 4129:25 Unique 2.16, 3.34 A)
&rst
ixpk= 4129, nxpk= 25, iat=2567,2553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 166 VAL HB 166 VAL HA 2.80 (# 4130:25 Unique 2.27, 2.74 A)
&rst
ixpk= 4130, nxpk= 25, iat=2555,2553, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 166 VAL MGY 166 VAL HA 3.50 (# 4132:25 Unique 2.36, 3.36 A)
&rst
ixpk= 4132, nxpk= 25, iat= -1,2553, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2557,2558,2559,2561,2562,2563,
&end
#
# 0 AMB 25-2:4134 0 AMB 25-1:4134 4.50 (# 4134:25 Double Ambig)
&rst
ixpk= 4134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2567,1251,
igr2=2557,2558,2559,2561,2562,2563,1229,1230,1231,1233,
1234,1235,
&end
#
# 167 ALA HN 167 ALA HA 4.50 (# 4135:25 Unique 2.74, 2.83 A)
&rst
ixpk= 4135, nxpk= 25, iat=2567,2569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4137 167 ALA HA 2.80 (# 4137:25 Single Ambig)
&rst
ixpk= 4137, nxpk= 25, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2571,2572,2573, 759, 760, 761,
&end
#
# 48 ILE QG2 167 ALA HA 5.50 (# 4138:25 Unique 2.27, 5.93 A)
&rst
ixpk= 4138, nxpk= 25, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 742, 743, 744,
&end
#
# 48 ILE QD1 167 ALA HA 5.50 (# 4139:25 Unique 2.42, 8.33 A)
&rst
ixpk= 4139, nxpk= 25, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 749, 750, 751,
&end
#
# 0 AMB 25-2:4140 167 ALA MB 4.50 (# 4140:25 Single Ambig)
&rst
ixpk= 4140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2525,2567,
igr2=2571,2572,2573,
&end
#
# 167 ALA HA 167 ALA MB 4.50 (# 4141:25 Unique 2.43, 2.67 A)
&rst
ixpk= 4141, nxpk= 25, iat=2569, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2571,2572,2573,
&end
#
# 166 VAL HB 167 ALA MB 5.50 (# 4144:25 Unique 4.32, 5.87 A)
&rst
ixpk= 4144, nxpk= 25, iat=2555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2571,2572,2573,
&end
#
# 48 ILE HB 167 ALA MB 4.50 (# 4146:25 Unique 4.47, 7.85 A)
&rst
ixpk= 4146, nxpk= 25, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2571,2572,2573,
&end
#
# 72 ARG HN 72 ARG HA 5.50 (# 4147:25 Unique 2.80, 2.87 A)
&rst
ixpk= 4147, nxpk= 25, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLN HN 72 ARG HA 4.50 (# 4148:25 Unique 1.81, 2.28 A)
&rst
ixpk= 4148, nxpk= 25, iat=1206,1112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 PHE HN 72 ARG HA 5.50 (# 4149:25 Unique 2.62, 3.90 A)
&rst
ixpk= 4149, nxpk= 25, iat=1175,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HN 72 ARG HA 5.50 (# 4150:25 Unique 2.31, 3.25 A)
&rst
ixpk= 4150, nxpk= 25, iat=1195,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:4152 72 ARG HA 3.50 (# 4152:25 Single Ambig)
&rst
ixpk= 4152, nxpk= 25, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1117,1118,1117,1118,
&end
#
# 0 AMB 25-2:4153 72 ARG HA 3.50 (# 4153:25 Single Ambig)
&rst
ixpk= 4153, nxpk= 25, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1114,1115,1114,1115,
&end
#
# 73 ILE HG1- 72 ARG HA 5.50 (# 4154:25 Unique 4.83, 5.62 A)
&rst
ixpk= 4154, nxpk= 25, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1144,1145,
&end
#
# 0 AMB 25-2:4155 72 ARG HA 5.50 (# 4155:25 Single Ambig)
&rst
ixpk= 4155, nxpk= 25, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1144,1145,1157,1158,1938,1939,1940,
&end
#
# 0 AMB 25-2:4156 72 ARG HA 5.50 (# 4156:25 Single Ambig)
&rst
ixpk= 4156, nxpk= 25, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 356, 357, 358, 360, 361, 362,1147,1148,1149,
&end
#
# 24 LEU MDY 72 ARG HA 5.50 (# 4157:25 Unique 3.11, 6.35 A)
&rst
ixpk= 4157, nxpk= 25, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 356, 357, 358, 360, 361, 362,
&end
#
# 72 ARG HN 0 AMB 25-1:4160 5.50 (# 4160:25 Single Ambig)
&rst
ixpk= 4160, nxpk= 25, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1117,1118,1117,1118,
&end
#
# 77 GLN HN 0 AMB 25-1:4161 5.50 (# 4161:25 Single Ambig)
&rst
ixpk= 4161, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1117,1118,1117,1118,
&end
#
# 0 AMB 25-2:4163 0 AMB 25-1:4163 5.50 (# 4163:25 Double Ambig)
&rst
ixpk= 4163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1112,1199,1200,1199,1200,
igr2=1117,1118,1117,1118,1117,1118,
&end
#
# 0 AMB 25-2:4164 0 AMB 25-1:4164 5.50 (# 4164:25 Double Ambig)
&rst
ixpk= 4164, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 869, 870, 869, 870,
igr2=1117,1118,1117,1118,
&end
#
# 91 LEU HN 99 GLY HA+ 5.50 (# 4166:25 Unique 2.61, 3.56 A)
&rst
ixpk= 4166, nxpk= 25, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1555,1556,
&end
#
# 99 GLY HN 99 GLY HA+ 4.50 (# 4167:25 Unique 2.57, 2.80 A)
&rst
ixpk= 4167, nxpk= 25, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1555,1556,
&end
#
# 100 ILE HN 99 GLY HA+ 4.50 (# 4168:25 Unique 2.26, 2.57 A)
&rst
ixpk= 4168, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4169 0 AMB 25-1:4169 5.50 (# 4169:25 Double Ambig)
&rst
ixpk= 4169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1044,1440,1370,
igr2=1555,1556,1555,1556,1555,1556,
&end
#
# 90 VAL HA 99 GLY HA+ 4.50 (# 4170:25 Unique 2.14, 2.71 A)
&rst
ixpk= 4170, nxpk= 25, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4172 0 AMB 25-1:4172 5.50 (# 4172:25 Double Ambig)
&rst
ixpk= 4172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1376,1377,1378,1380,1381,1382,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,
igr2=1555,1556,1555,1556,1555,1556,
&end
#
# 0 AMB 25-2:4173 0 AMB 25-1:4173 3.50 (# 4173:25 Double Ambig)
&rst
ixpk= 4173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2=1555,1556,1555,1556,
&end
#
# 0 AMB 25-2:4174 0 AMB 25-1:4174 3.50 (# 4174:25 Double Ambig)
&rst
ixpk= 4174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
igr2=1555,1556,1555,1556,
&end
#
# 91 LEU HN 99 GLY HA- 5.50 (# 4175:25 Unique 2.61, 3.56 A)
&rst
ixpk= 4175, nxpk= 25, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1555,1556,
&end
#
# 99 GLY HN 99 GLY HA- 4.50 (# 4176:25 Unique 2.57, 2.80 A)
&rst
ixpk= 4176, nxpk= 25, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1555,1556,
&end
#
# 100 ILE HN 99 GLY HA- 3.50 (# 4177:25 Unique 2.26, 2.57 A)
&rst
ixpk= 4177, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1555,1556,
&end
#
# 90 VAL HA 99 GLY HA- 4.50 (# 4179:25 Unique 2.14, 2.71 A)
&rst
ixpk= 4179, nxpk= 25, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4180 99 GLY HA- 5.50 (# 4180:25 Single Ambig)
&rst
ixpk= 4180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1374,1048,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4181 99 GLY HA- 5.50 (# 4181:25 Single Ambig)
&rst
ixpk= 4181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1376,1377,1378,1380,1381,1382,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4182 99 GLY HA- 4.50 (# 4182:25 Single Ambig)
&rst
ixpk= 4182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,1020,1021,1022,1024,1025,1026,1020,1021,
1022,1024,1025,1026,1566,1567,1568,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4183 99 GLY HA- 3.50 (# 4183:25 Single Ambig)
&rst
ixpk= 4183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2=1555,1556,
&end
#
# 0 AMB 25-2:4184 99 GLY HA- 2.80 (# 4184:25 Single Ambig)
&rst
ixpk= 4184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1057,1058,1059,1376,1377,1378,1380,1381,1382,
igr2=1555,1556,
&end
#
# 134 LEU HN 0 AMB 25-1:4185 2.80 (# 4185:25 Single Ambig)
&rst
ixpk= 4185, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2061,2062,2061,2062,
&end
#
# 119 ALA HN 0 AMB 25-1:4186 4.50 (# 4186:25 Single Ambig)
&rst
ixpk= 4186, nxpk= 25, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2061,2062,2061,2062,
&end
#
# 133 GLY HN 0 AMB 25-1:4187 3.50 (# 4187:25 Single Ambig)
&rst
ixpk= 4187, nxpk= 25, iat=2059, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2061,2062,2061,2062,
&end
#
# 0 AMB 25-2:4188 0 AMB 25-1:4188 5.50 (# 4188:25 Double Ambig)
&rst
ixpk= 4188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=1794,1861,1862,1840,1841,1864,1865,
igr2=2061,2062,2061,2062,2061,2062,2061,2062,
&end
#
# 0 AMB 25-2:4189 0 AMB 25-1:4189 5.50 (# 4189:25 Double Ambig)
&rst
ixpk= 4189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2073,2030,2031,
igr2=2061,2062,2061,2062,2061,2062,
&end
#
# 119 ALA MB 0 AMB 25-1:4190 3.50 (# 4190:25 Single Ambig)
&rst
ixpk= 4190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1851,1852,1853,
igr2=2061,2062,2061,2062,
&end
#
# 0 AMB 25-2:4191 0 AMB 25-1:4191 4.50 (# 4191:25 Double Ambig)
&rst
ixpk= 4191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1796,1797,1798,2035,2036,2037,2039,2040,2041,2035,
2036,2037,2039,2040,2041,
igr2=2061,2062,2061,2062,2061,2062,
&end
#
# 144 LEU MDX 0 AMB 25-1:4192 4.50 (# 4192:25 Single Ambig)
&rst
ixpk= 4192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2061,2062,2061,2062,
&end
#
# 135 GLY HN 134 LEU HB+ 5.50 (# 4193:25 Unique 2.36, 3.23 A)
&rst
ixpk= 4193, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2070,2071,
&end
#
# 135 GLY HN 134 LEU HB- 5.50 (# 4194:25 Unique 2.36, 3.23 A)
&rst
ixpk= 4194, nxpk= 25, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2070,2071,
&end
#
# 134 LEU HN 134 LEU HB+ 4.50 (# 4195:25 Unique 2.43, 3.62 A)
&rst
ixpk= 4195, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2070,2071,
&end
#
# 134 LEU HN 134 LEU HB- 4.50 (# 4196:25 Unique 2.43, 3.62 A)
&rst
ixpk= 4196, nxpk= 25, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2070,2071,
&end
#
# 134 LEU HA 134 LEU HB+ 4.50 (# 4197:25 Unique 2.33, 2.48 A)
&rst
ixpk= 4197, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2070,2071,
&end
#
# 134 LEU HA 134 LEU HB- 4.50 (# 4198:25 Unique 2.33, 2.48 A)
&rst
ixpk= 4198, nxpk= 25, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2070,2071,
&end
#
# 0 AMB 25-2:4199 0 AMB 25-1:4199 5.50 (# 4199:25 Double Ambig)
&rst
ixpk= 4199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2202,1849,
igr2=2070,2071,2070,2071,
&end
#
# 0 AMB 25-2:4200 134 LEU HB- 5.50 (# 4200:25 Single Ambig)
&rst
ixpk= 4200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2202,1849,
igr2=2070,2071,
&end
#
# 120 PRO HD+ 134 LEU HB+ 5.50 (# 4201:25 Unique 2.16, 4.37 A)
&rst
ixpk= 4201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1858,1859,
igr2=2070,2071,
&end
#
# 120 PRO HD+ 134 LEU HB- 5.50 (# 4202:25 Unique 2.16, 4.37 A)
&rst
ixpk= 4202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1858,1859,
igr2=2070,2071,
&end
#
# 0 AMB 25-2:4203 0 AMB 25-1:4203 5.50 (# 4203:25 Double Ambig)
&rst
ixpk= 4203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1837,1838,2175,2176,2177,
igr2=2070,2071,2070,2071,
&end
#
# 0 AMB 25-2:4204 134 LEU HB- 5.50 (# 4204:25 Single Ambig)
&rst
ixpk= 4204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1837,1838,2175,2176,2177,
igr2=2070,2071,
&end
#
# 0 AMB 25-2:4205 134 LEU HB- 4.50 (# 4205:25 Single Ambig)
&rst
ixpk= 4205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1837,1838,1861,1862,
igr2=2070,2071,
&end
#
# 0 AMB 25-2:4206 0 AMB 25-1:4206 2.80 (# 4206:25 Double Ambig)
&rst
ixpk= 4206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2070,2071,2070,2071,
&end
#
# 0 AMB 25-2:4207 134 LEU HB- 3.50 (# 4207:25 Single Ambig)
&rst
ixpk= 4207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2070,2071,
&end
#
# 135 GLY HN 134 LEU HG 5.50 (# 4208:25 Unique 4.31, 4.43 A)
&rst
ixpk= 4208, nxpk= 25, iat=2085,2073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HN 134 LEU HG 4.50 (# 4209:25 Unique 2.79, 3.01 A)
&rst
ixpk= 4209, nxpk= 25, iat=2066,2073, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 LEU HA 134 LEU HG 4.50 (# 4210:25 Unique 2.66, 3.67 A)
&rst
ixpk= 4210, nxpk= 25, iat=2068,2073, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4211 134 LEU HG 4.50 (# 4211:25 Single Ambig)
&rst
ixpk= 4211, nxpk= 25, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1849,2202,
&end
#
# 120 PRO HD+ 134 LEU HG 5.50 (# 4212:25 Unique 2.15, 4.21 A)
&rst
ixpk= 4212, nxpk= 25, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 120 PRO HD- 134 LEU HG 5.50 (# 4213:25 Unique 2.15, 4.21 A)
&rst
ixpk= 4213, nxpk= 25, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1858,1859,
&end
#
# 0 AMB 25-2:4214 154 GLU HA 4.50 (# 4214:25 Single Ambig)
&rst
ixpk= 4214, nxpk= 25, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2387,2402,
&end
#
# 157 ALA HN 154 GLU HA 5.50 (# 4215:25 Unique 2.97, 3.47 A)
&rst
ixpk= 4215, nxpk= 25, iat=2434,2389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:4217 154 GLU HA 2.80 (# 4217:25 Single Ambig)
&rst
ixpk= 4217, nxpk= 25, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2394,2395,2394,2395,
&end
#
# 0 AMB 25-2:4218 154 GLU HA 2.80 (# 4218:25 Single Ambig)
&rst
ixpk= 4218, nxpk= 25, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2391,2392,2391,2392,
&end
#
# 157 ALA MB 154 GLU HA 3.50 (# 4219:25 Unique 2.35, 3.94 A)
&rst
ixpk= 4219, nxpk= 25, iat= -1,2389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2438,2439,2440,
&end
#
# 154 GLU HN 0 AMB 25-1:4220 3.50 (# 4220:25 Single Ambig)
&rst
ixpk= 4220, nxpk= 25, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2394,2395,2394,2395,
&end
#
# 154 GLU HA 0 AMB 25-1:4222 2.80 (# 4222:25 Single Ambig)
&rst
ixpk= 4222, nxpk= 25, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2394,2395,2394,2395,
&end
#
# 157 ALA MB 0 AMB 25-1:4223 5.50 (# 4223:25 Single Ambig)
&rst
ixpk= 4223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2438,2439,2440,
igr2=2394,2395,2394,2395,
&end
#
# 0 AMB 25-2:4224 0 AMB 25-1:4224 4.50 (# 4224:25 Double Ambig)
&rst
ixpk= 4224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1=1069,1070,1071,1073,1074,1075,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
igr2=2394,2395,2394,2395,2394,2395,2394,2395,
&end
#
# 166 VAL HN 166 VAL HA 3.50 (# 4225:25 Unique 2.17, 2.75 A)
&rst
ixpk= 4225, nxpk= 25, iat=2551,2553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 PRO HG+ 67 PRO HD- 4.50 (# 4226:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1034,1035,
igr2=1031,1032,
&end
#
# 67 PRO HG+ 67 PRO HD+ 5.50 (# 4227:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1034,1035,
igr2=1031,1032,
&end
#
# 67 PRO HG- 67 PRO HD+ 4.50 (# 4229:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1034,1035,
igr2=1031,1032,
&end
#
# 67 PRO HG- 67 PRO HD- 3.50 (# 4230:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1034,1035,
igr2=1031,1032,
&end
#
# 0 AMB 25-2:4231 67 PRO HD- 5.50 (# 4231:25 Single Ambig)
&rst
ixpk= 4231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1541,1525,1501,1502,
igr2=1031,1032,
&end
#
# 0 AMB 25-2:4232 67 PRO HD- 5.50 (# 4232:25 Single Ambig)
&rst
ixpk= 4232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1005,1006,1005,1006,
igr2=1031,1032,
&end
#
# 0 AMB 25-2:4233 67 PRO HD- 2.80 (# 4233:25 Single Ambig)
&rst
ixpk= 4233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1527,1528,1529,1531,1532,1533,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,2352,2353,
2354,2356,2357,2358,
igr2=1031,1032,
&end
#
# 0 AMB 25-2:4234 67 PRO HD- 3.50 (# 4234:25 Single Ambig)
&rst
ixpk= 4234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,1527,1528,1529,1531,1532,1533,
igr2=1031,1032,
&end
#
# 0 AMB 25-2:4235 0 AMB 25-1:4235 3.50 (# 4235:25 Double Ambig)
&rst
ixpk= 4235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1527,1528,1529,1531,1532,1533,1543,1544,1545,1547,
1548,1549,1543,1544,1545,1547,1548,1549,2352,2353,
2354,2356,2357,2358,
igr2=1031,1032,1031,1032,1031,1032,1031,1032,
&end
#
# 0 AMB 25-2:4236 0 AMB 25-1:4236 3.50 (# 4236:25 Double Ambig)
&rst
ixpk= 4236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1020,1021,1022,1024,1025,1026,1020,1021,1022,1024,
1025,1026,1527,1528,1529,1531,1532,1533,
igr2=1031,1032,1031,1032,1031,1032,
&end
#
# 0 AMB 25-2:4237 0 AMB 25-1:4237 5.50 (# 4237:25 Double Ambig)
&rst
ixpk= 4237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1541,1525,1501,1502,
igr2=1031,1032,1031,1032,1031,1032,
&end
#
# 0 AMB 25-2:4238 67 PRO HD- 2.80 (# 4238:25 Single Ambig)
&rst
ixpk= 4238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1539,1016,
igr2=1031,1032,
&end
#
# 98 VAL HB 67 PRO HG+ 2.80 (# 4240:25 Unique 2.64, 3.55 A)
&rst
ixpk= 4240, nxpk= 25, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1034,1035,
&end
#
# 98 VAL HB 67 PRO HG- 2.80 (# 4241:25 Unique 2.64, 3.55 A)
&rst
ixpk= 4241, nxpk= 25, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1034,1035,
&end
#
# 0 AMB 25-2:4244 0 AMB 25-1:4244 3.50 (# 4244:25 Double Ambig)
&rst
ixpk= 4244, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,2453,2454,2455,2457,2458,2459,2453,2454,
2455,2457,2458,2459,
igr2=1034,1035,1034,1035,1034,1035,1034,1035,
&end
#
# 0 AMB 25-2:4245 67 PRO HG- 3.50 (# 4245:25 Single Ambig)
&rst
ixpk= 4245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1543,1544,1545,1547,1548,1549,1543,1544,1545,1547,
1548,1549,2453,2454,2455,2457,2458,2459,2453,2454,
2455,2457,2458,2459,
igr2=1034,1035,
&end
#
# 0 AMB 25-2:4246 0 AMB 25-1:4246 4.50 (# 4246:25 Double Ambig)
&rst
ixpk= 4246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,
igr2=1034,1035,1034,1035,
&end
#
# 0 AMB 25-2:4247 67 PRO HG- 3.50 (# 4247:25 Single Ambig)
&rst
ixpk= 4247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2352,2353,2354,2356,2357,2358,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
igr2=1034,1035,
&end
#
# 0 AMB 25-2:4248 67 PRO HG- 3.50 (# 4248:25 Single Ambig)
&rst
ixpk= 4248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 891, 892, 893, 895, 896, 897, 891, 892, 893, 895,
896, 897,
igr2=1034,1035,
&end
#
# 0 AMB 25-2:4249 0 AMB 25-1:4249 3.50 (# 4249:25 Double Ambig)
&rst
ixpk= 4249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2352,2353,2354,2356,2357,2358,1020,1021,1022,1024,
1025,1026,1020,1021,1022,1024,1025,1026,
igr2=1034,1035,1034,1035,1034,1035,
&end
#
# 67 PRO HD- 67 PRO HG+ 4.50 (# 4250:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1031,1032,
igr2=1034,1035,
&end
#
# 67 PRO HD- 67 PRO HG- 2.80 (# 4251:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1031,1032,
igr2=1034,1035,
&end
#
# 98 VAL HA 67 PRO HG+ 3.50 (# 4252:25 Unique 2.21, 3.17 A)
&rst
ixpk= 4252, nxpk= 25, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1034,1035,
&end
#
# 98 VAL HA 67 PRO HG- 3.50 (# 4253:25 Unique 2.21, 3.17 A)
&rst
ixpk= 4253, nxpk= 25, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1034,1035,
&end
#
# 67 PRO HD+ 67 PRO HG+ 3.50 (# 4254:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4254, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1031,1032,
igr2=1034,1035,
&end
#
# 67 PRO HD+ 67 PRO HG- 2.80 (# 4255:25 Unique 2.26, 2.61 A)
&rst
ixpk= 4255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1031,1032,
igr2=1034,1035,
&end
#
# 67 PRO HA 67 PRO HG+ 5.50 (# 4256:25 Unique 3.84, 4.00 A)
&rst
ixpk= 4256, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1034,1035,
&end
#
# 67 PRO HA 67 PRO HG- 5.50 (# 4257:25 Unique 3.84, 4.00 A)
&rst
ixpk= 4257, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1034,1035,
&end
#
# 56 LYS HN 55 ILE HA 4.50 (# 4258:25 Unique 2.18, 2.27 A)
&rst
ixpk= 4258, nxpk= 25, iat= 856, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HN 55 ILE HA 5.50 (# 4259:25 Unique 2.90, 2.96 A)
&rst
ixpk= 4259, nxpk= 25, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:4260 55 ILE HA 5.50 (# 4260:25 Single Ambig)
&rst
ixpk= 4260, nxpk= 25, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 878, 825, 833, 817,
&end
#
# 69 VAL HA 55 ILE HA 4.50 (# 4262:25 Unique 3.02, 3.72 A)
&rst
ixpk= 4262, nxpk= 25, iat=1065, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4263 55 ILE HA 5.50 (# 4263:25 Single Ambig)
&rst
ixpk= 4263, nxpk= 25, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 841,2451,
&end
#
# 0 AMB 25-2:4264 55 ILE QD1 5.50 (# 4264:25 Single Ambig)
&rst
ixpk= 4264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 856, 755,1044,
igr2= 850, 851, 852,
&end
#
# 159 LEU HN 55 ILE QD1 5.50 (# 4265:25 Unique 2.95, 5.58 A)
&rst
ixpk= 4265, nxpk= 25, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 55 ILE HN 55 ILE QD1 5.50 (# 4266:25 Unique 2.87, 4.95 A)
&rst
ixpk= 4266, nxpk= 25, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:4268 55 ILE QD1 5.50 (# 4268:25 Single Ambig)
&rst
ixpk= 4268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 825, 833, 817,
igr2= 850, 851, 852,
&end
#
# 51 THR HA 55 ILE QD1 5.50 (# 4271:25 Unique 2.74, 4.97 A)
&rst
ixpk= 4271, nxpk= 25, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:4272 55 ILE QD1 4.50 (# 4272:25 Single Ambig)
&rst
ixpk= 4272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 839,2496,
igr2= 850, 851, 852,
&end
#
# 158 LEU HA 55 ILE QD1 5.50 (# 4273:25 Unique 2.15, 3.30 A)
&rst
ixpk= 4273, nxpk= 25, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 51 THR HB 55 ILE QD1 4.50 (# 4274:25 Unique 2.21, 4.22 A)
&rst
ixpk= 4274, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 850, 851, 852,
&end
#
# 52 PRO HD+ 55 ILE QD1 5.50 (# 4275:25 Unique 2.09, 3.87 A)
&rst
ixpk= 4275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 794, 795,
igr2= 850, 851, 852,
&end
#
# 52 PRO HD- 55 ILE QD1 4.50 (# 4276:25 Unique 2.09, 3.87 A)
&rst
ixpk= 4276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 794, 795,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:4278 55 ILE QD1 5.50 (# 4278:25 Single Ambig)
&rst
ixpk= 4278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 800, 801,2555,2391,2392,2391,2392,
igr2= 850, 851, 852,
&end
#
# 159 LEU HB+ 55 ILE QD1 5.50 (# 4279:25 Unique 2.51, 7.11 A)
&rst
ixpk= 4279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2467,2468,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:4280 55 ILE QD1 3.50 (# 4280:25 Single Ambig)
&rst
ixpk= 4280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 841,2451,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:4281 55 ILE QD1 5.50 (# 4281:25 Single Ambig)
&rst
ixpk= 4281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 797, 798,2467,2468,
igr2= 850, 851, 852,
&end
#
# 162 ALA MB 55 ILE QD1 4.50 (# 4282:25 Unique 2.28, 4.62 A)
&rst
ixpk= 4282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2509,2510,2511,
igr2= 850, 851, 852,
&end
#
# 48 ILE HG1+ 55 ILE QD1 5.50 (# 4283:25 Unique 4.38, 7.46 A)
&rst
ixpk= 4283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 746, 747,
igr2= 850, 851, 852,
&end
#
# 51 THR MG2 55 ILE QD1 4.50 (# 4284:25 Unique 2.18, 4.63 A)
&rst
ixpk= 4284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 785, 786, 787,
igr2= 850, 851, 852,
&end
#
# 0 AMB 25-2:4285 55 ILE QD1 2.80 (# 4285:25 Single Ambig)
&rst
ixpk= 4285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
igr2= 850, 851, 852,
&end
#
# 56 LYS HN 55 ILE QG2 4.50 (# 4286:25 Unique 2.03, 3.96 A)
&rst
ixpk= 4286, nxpk= 25, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 843, 844, 845,
&end
#
# 55 ILE HN 55 ILE QG2 5.50 (# 4287:25 Unique 4.29, 4.74 A)
&rst
ixpk= 4287, nxpk= 25, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 843, 844, 845,
&end
#
# 57 GLY HN 55 ILE QG2 4.50 (# 4288:25 Unique 2.14, 3.75 A)
&rst
ixpk= 4288, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 843, 844, 845,
&end
#
# 67 PRO HA 55 ILE QG2 5.50 (# 4289:25 Unique 4.37, 6.21 A)
&rst
ixpk= 4289, nxpk= 25, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 843, 844, 845,
&end
#
# 55 ILE HA 55 ILE QG2 3.50 (# 4292:25 Unique 2.37, 3.08 A)
&rst
ixpk= 4292, nxpk= 25, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 843, 844, 845,
&end
#
# 0 AMB 25-2:4293 55 ILE QG2 4.50 (# 4293:25 Single Ambig)
&rst
ixpk= 4293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 783, 858,
igr2= 843, 844, 845,
&end
#
# 52 PRO HD+ 55 ILE QG2 5.50 (# 4294:25 Unique 3.79, 5.92 A)
&rst
ixpk= 4294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 794, 795,
igr2= 843, 844, 845,
&end
#
# 57 GLY HA- 55 ILE QG2 5.50 (# 4295:25 Unique 2.39, 4.74 A)
&rst
ixpk= 4295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 880, 881,
igr2= 843, 844, 845,
&end
#
# 0 AMB 25-2:4296 55 ILE QG2 5.50 (# 4296:25 Single Ambig)
&rst
ixpk= 4296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1067, 800, 801,
igr2= 843, 844, 845,
&end
#
# 0 AMB 25-2:4297 55 ILE QG2 4.50 (# 4297:25 Single Ambig)
&rst
ixpk= 4297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 860, 861, 797, 798,2467,2468,1034,1035,
igr2= 843, 844, 845,
&end
#
# 0 AMB 25-2:4298 55 ILE QG2 2.80 (# 4298:25 Single Ambig)
&rst
ixpk= 4298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2451, 841,
igr2= 843, 844, 845,
&end
#
# 0 AMB 25-2:4299 55 ILE QG2 4.50 (# 4299:25 Single Ambig)
&rst
ixpk= 4299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 797, 798,2467,2468,2438,2439,2440,
igr2= 843, 844, 845,
&end
#
# 0 AMB 25-2:4300 55 ILE QG2 4.50 (# 4300:25 Single Ambig)
&rst
ixpk= 4300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2509,2510,2511, 746, 747,
igr2= 843, 844, 845,
&end
#
# 48 ILE HG1+ 55 ILE QG2 4.50 (# 4301:25 Unique 2.40, 5.87 A)
&rst
ixpk= 4301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 746, 747,
igr2= 843, 844, 845,
&end
#
# 51 THR MG2 55 ILE QG2 2.80 (# 4302:25 Unique 2.45, 4.38 A)
&rst
ixpk= 4302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 785, 786, 787,
igr2= 843, 844, 845,
&end
#
# 69 VAL HA 55 ILE QG2 5.50 (# 4303:25 Unique 4.43, 5.98 A)
&rst
ixpk= 4303, nxpk= 25, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 843, 844, 845,
&end
#
# 100 ILE QD1 100 ILE HG1- 4.50 (# 4319:25 Unique 2.35, 2.65 A)
&rst
ixpk= 4319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1573,1574,1575,
igr2=1570,1571,
&end
#
# 0 AMB 25-2:4321 100 ILE HG1- 4.50 (# 4321:25 Single Ambig)
&rst
ixpk= 4321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1566,1567,1568,1430,1431,1432,1434,1435,1436,1430,
1431,1432,1434,1435,1436,
igr2=1570,1571,
&end
#
# 0 AMB 25-2:4323 100 ILE HG1- 4.50 (# 4323:25 Single Ambig)
&rst
ixpk= 4323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1386,
igr2=1570,1571,
&end
#
# 0 AMB 25-2:4325 0 AMB 25-1:4325 5.50 (# 4325:25 Double Ambig)
&rst
ixpk= 4325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 837, 779,
igr2= 794, 795, 794, 795,
&end
#
# 51 THR HA 52 PRO HD+ 2.80 (# 4326:25 Unique 2.15, 2.43 A)
&rst
ixpk= 4326, nxpk= 25, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 794, 795,
&end
#
# 51 THR HA 52 PRO HD- 3.50 (# 4327:25 Unique 2.15, 2.43 A)
&rst
ixpk= 4327, nxpk= 25, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 794, 795,
&end
#
# 51 THR HB 52 PRO HD+ 3.50 (# 4328:25 Unique 2.12, 3.26 A)
&rst
ixpk= 4328, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 794, 795,
&end
#
# 51 THR HB 52 PRO HD- 4.50 (# 4329:25 Unique 2.12, 3.26 A)
&rst
ixpk= 4329, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 794, 795,
&end
#
# 0 AMB 25-2:4330 52 PRO HD- 4.50 (# 4330:25 Single Ambig)
&rst
ixpk= 4330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 797, 798, 800, 801,
igr2= 794, 795,
&end
#
# 0 AMB 25-2:4331 0 AMB 25-1:4331 2.80 (# 4331:25 Double Ambig)
&rst
ixpk= 4331, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 797, 798, 800, 801,
igr2= 794, 795, 794, 795,
&end
#
# 55 ILE HB 52 PRO HD+ 5.50 (# 4332:25 Unique 2.28, 4.00 A)
&rst
ixpk= 4332, nxpk= 25, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 794, 795,
&end
#
# 55 ILE HB 52 PRO HD- 5.50 (# 4333:25 Unique 2.28, 4.00 A)
&rst
ixpk= 4333, nxpk= 25, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 794, 795,
&end
#
# 52 PRO HG- 52 PRO HD+ 4.50 (# 4334:25 Unique 2.31, 2.61 A)
&rst
ixpk= 4334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 797, 798,
igr2= 794, 795,
&end
#
# 52 PRO HG- 52 PRO HD- 4.50 (# 4335:25 Unique 2.31, 2.61 A)
&rst
ixpk= 4335, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 797, 798,
igr2= 794, 795,
&end
#
# 48 ILE HG1+ 52 PRO HD+ 5.50 (# 4336:25 Unique 5.77, 8.22 A)
&rst
ixpk= 4336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 746, 747,
igr2= 794, 795,
&end
#
# 51 THR MG2 52 PRO HD+ 4.50 (# 4337:25 Unique 2.29, 4.26 A)
&rst
ixpk= 4337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 785, 786, 787,
igr2= 794, 795,
&end
#
# 51 THR MG2 52 PRO HD- 4.50 (# 4338:25 Unique 2.29, 4.26 A)
&rst
ixpk= 4338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 785, 786, 787,
igr2= 794, 795,
&end
#
# 166 VAL MGY 52 PRO HD+ 5.50 (# 4339:25 Unique 2.36, 7.92 A)
&rst
ixpk= 4339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2557,2558,2559,2561,2562,2563,
igr2= 794, 795,
&end
#
# 166 VAL MGY 52 PRO HD- 5.50 (# 4340:25 Unique 2.36, 7.92 A)
&rst
ixpk= 4340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2557,2558,2559,2561,2562,2563,
igr2= 794, 795,
&end
#
# 55 ILE QD1 52 PRO HD+ 4.50 (# 4341:25 Unique 2.09, 3.87 A)
&rst
ixpk= 4341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 850, 851, 852,
igr2= 794, 795,
&end
#
# 55 ILE QD1 52 PRO HD- 4.50 (# 4342:25 Unique 2.09, 3.87 A)
&rst
ixpk= 4342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 850, 851, 852,
igr2= 794, 795,
&end
#
# 52 PRO HD- 52 PRO HG- 3.50 (# 4345:25 Unique 2.31, 2.61 A)
&rst
ixpk= 4345, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 794, 795,
igr2= 797, 798,
&end
#
# 52 PRO HD+ 52 PRO HG- 4.50 (# 4346:25 Unique 2.31, 2.61 A)
&rst
ixpk= 4346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 794, 795,
igr2= 797, 798,
&end
#
# 141 MET HN 140 ARG HB- 4.50 (# 4351:25 Unique 2.38, 3.17 A)
&rst
ixpk= 4351, nxpk= 25, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2144,2145,
&end
#
# 140 ARG HN 140 ARG HB- 4.50 (# 4352:25 Unique 2.10, 3.09 A)
&rst
ixpk= 4352, nxpk= 25, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2144,2145,
&end
#
# 140 ARG HA 140 ARG HB- 3.50 (# 4353:25 Unique 2.31, 2.78 A)
&rst
ixpk= 4353, nxpk= 25, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2144,2145,
&end
#
# 140 ARG HD+ 140 ARG HB- 4.50 (# 4354:25 Unique 2.31, 2.99 A)
&rst
ixpk= 4354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2150,2151,
igr2=2144,2145,
&end
#
# 140 ARG HD- 140 ARG HB- 4.50 (# 4355:25 Unique 2.31, 2.99 A)
&rst
ixpk= 4355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2150,2151,
igr2=2144,2145,
&end
#
# 0 AMB 25-2:4356 140 ARG HB- 3.50 (# 4356:25 Single Ambig)
&rst
ixpk= 4356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2106,2107,2147,2148,
igr2=2144,2145,
&end
#
# 0 AMB 25-2:4360 0 AMB 25-1:4360 4.50 (# 4360:25 Double Ambig)
&rst
ixpk= 4360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 608, 609, 608, 609, 608, 609,
igr2= 611, 612, 611, 612, 611, 612,
&end
#
# 0 AMB 25-2:4361 0 AMB 25-1:4361 5.50 (# 4361:25 Double Ambig)
&rst
ixpk= 4361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 592, 593, 592, 593, 592, 593,
igr2= 611, 612, 611, 612, 611, 612,
&end
#
# 45 VAL HB 47 ARG HB- 4.50 (# 4370:25 Unique 4.58, 6.90 A)
&rst
ixpk= 4370, nxpk= 25, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 47 ARG HA 47 ARG HB- 2.80 (# 4371:25 Unique 2.35, 2.72 A)
&rst
ixpk= 4371, nxpk= 25, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 716, 717,
&end
#
# 62 ARG HA 62 ARG HD+ 5.50 (# 4377:25 Unique 2.35, 3.96 A)
&rst
ixpk= 4377, nxpk= 25, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 958, 959,
&end
#
# 62 ARG HA 62 ARG HD- 4.50 (# 4378:25 Unique 2.35, 3.96 A)
&rst
ixpk= 4378, nxpk= 25, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:4379 0 AMB 25-1:4379 3.50 (# 4379:25 Double Ambig)
&rst
ixpk= 4379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 574, 575, 574, 575,
igr2= 958, 959, 958, 959,
&end
#
# 40 ARG HB- 62 ARG HD- 3.50 (# 4380:25 Unique 2.40, 4.89 A)
&rst
ixpk= 4380, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 605, 606,
igr2= 958, 959,
&end
#
# 62 ARG HG+ 62 ARG HD+ 2.80 (# 4381:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4381, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 955, 956,
igr2= 958, 959,
&end
#
# 62 ARG HG+ 62 ARG HD- 2.80 (# 4382:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 955, 956,
igr2= 958, 959,
&end
#
# 62 ARG HG- 62 ARG HD+ 3.50 (# 4383:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 955, 956,
igr2= 958, 959,
&end
#
# 62 ARG HG- 62 ARG HD- 2.80 (# 4384:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 955, 956,
igr2= 958, 959,
&end
#
# 62 ARG HA 62 ARG HG+ 4.50 (# 4385:25 Unique 2.66, 3.59 A)
&rst
ixpk= 4385, nxpk= 25, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 955, 956,
&end
#
# 62 ARG HA 62 ARG HG- 5.50 (# 4386:25 Unique 2.66, 3.59 A)
&rst
ixpk= 4386, nxpk= 25, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 955, 956,
&end
#
# 62 ARG HD+ 62 ARG HG+ 4.50 (# 4387:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 958, 959,
igr2= 955, 956,
&end
#
# 62 ARG HD+ 62 ARG HG- 5.50 (# 4388:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 958, 959,
igr2= 955, 956,
&end
#
# 62 ARG HD- 62 ARG HG+ 4.50 (# 4389:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 958, 959,
igr2= 955, 956,
&end
#
# 62 ARG HD- 62 ARG HG- 5.50 (# 4390:25 Unique 2.24, 2.64 A)
&rst
ixpk= 4390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 958, 959,
igr2= 955, 956,
&end
#
# 0 AMB 25-2:4391 0 AMB 25-1:4391 2.80 (# 4391:25 Double Ambig)
&rst
ixpk= 4391, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 952, 953, 952, 953, 574, 575, 574, 575,
igr2= 955, 956, 955, 956, 955, 956, 955, 956,
&end
#
# 40 ARG HB- 62 ARG HG- 4.50 (# 4392:25 Unique 4.57, 5.92 A)
&rst
ixpk= 4392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 605, 606,
igr2= 955, 956,
&end
#
# 40 ARG HB- 62 ARG HG+ 4.50 (# 4393:25 Unique 4.57, 5.92 A)
&rst
ixpk= 4393, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 605, 606,
igr2= 955, 956,
&end
#
# 0 AMB 25-2:4394 62 ARG HG- 3.50 (# 4394:25 Single Ambig)
&rst
ixpk= 4394, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 952, 953, 952, 953, 574, 575, 574, 575,
igr2= 955, 956,
&end
#
# 0 AMB 25-2:4401 0 AMB 25-1:4401 4.50 (# 4401:25 Double Ambig)
&rst
ixpk= 4401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 955, 956, 955, 956,
&end
#
# 61 LEU MDX 62 ARG HG- 4.50 (# 4402:25 Unique 2.20, 6.05 A)
&rst
ixpk= 4402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 938, 939, 940, 942, 943, 944,
igr2= 955, 956,
&end
#
# 61 LEU MDX 62 ARG HG+ 4.50 (# 4403:25 Unique 2.20, 6.05 A)
&rst
ixpk= 4403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 938, 939, 940, 942, 943, 944,
igr2= 955, 956,
&end
#
# 62 ARG HD- 0 AMB 25-1:4404 4.50 (# 4404:25 Single Ambig)
&rst
ixpk= 4404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 958, 959,
igr2= 952, 953, 952, 953,
&end
#
# 0 AMB 25-2:4405 0 AMB 25-1:4405 4.50 (# 4405:25 Double Ambig)
&rst
ixpk= 4405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 958, 959, 958, 959,
igr2= 952, 953, 952, 953,
&end
#
# 62 ARG HA 0 AMB 25-1:4406 3.50 (# 4406:25 Single Ambig)
&rst
ixpk= 4406, nxpk= 25, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 952, 953, 952, 953,
&end
#
# 102 VAL HN 101 VAL HB 3.50 (# 4407:25 Unique 2.50, 3.21 A)
&rst
ixpk= 4407, nxpk= 25, iat=1595,1583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4408 101 VAL HB 3.50 (# 4408:25 Single Ambig)
&rst
ixpk= 4408, nxpk= 25, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1581,1081,
&end
#
# 101 VAL HN 101 VAL HB 4.50 (# 4409:25 Unique 2.17, 3.20 A)
&rst
ixpk= 4409, nxpk= 25, iat=1579,1583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4410 101 VAL MGY 4.50 (# 4410:25 Single Ambig)
&rst
ixpk= 4410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1595,1091,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:4413 101 VAL MGY 4.50 (# 4413:25 Single Ambig)
&rst
ixpk= 4413, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1081,1581,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:4414 101 VAL MGY 4.50 (# 4414:25 Single Ambig)
&rst
ixpk= 4414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1328,1372,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 101 VAL HB 101 VAL MGY 2.80 (# 4415:25 Unique 2.33, 2.65 A)
&rst
ixpk= 4415, nxpk= 25, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:4416 101 VAL MGY 4.50 (# 4416:25 Single Ambig)
&rst
ixpk= 4416, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1054,1055,1054,1055,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 101 VAL HN 101 VAL MGX 3.50 (# 4417:25 Unique 1.91, 3.37 A)
&rst
ixpk= 4417, nxpk= 25, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:4418 101 VAL MGX 4.50 (# 4418:25 Single Ambig)
&rst
ixpk= 4418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1595,1091,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 100 ILE HA 101 VAL MGX 5.50 (# 4421:25 Unique 3.58, 5.18 A)
&rst
ixpk= 4421, nxpk= 25, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:4422 101 VAL MGX 2.80 (# 4422:25 Single Ambig)
&rst
ixpk= 4422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1081,1581,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 0 AMB 25-2:4423 101 VAL MGX 3.50 (# 4423:25 Single Ambig)
&rst
ixpk= 4423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1328,1372,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 101 VAL HB 101 VAL MGX 2.80 (# 4424:25 Unique 2.33, 2.65 A)
&rst
ixpk= 4424, nxpk= 25, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1585,1586,1587,1589,1590,1591,
&end
#
# 142 LEU HN 141 MET ME 5.50 (# 4426:25 Unique 4.76, 5.83 A)
&rst
ixpk= 4426, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2175,2176,2177,
&end
#
# 0 AMB 25-2:4427 141 MET ME 5.50 (# 4427:25 Single Ambig)
&rst
ixpk= 4427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2164,1847,2200,
igr2=2175,2176,2177,
&end
#
# 137 LEU HN 141 MET ME 5.50 (# 4428:25 Unique 5.75, 7.24 A)
&rst
ixpk= 4428, nxpk= 25, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2175,2176,2177,
&end
#
# 141 MET HA 141 MET ME 5.50 (# 4429:25 Unique 3.81, 5.05 A)
&rst
ixpk= 4429, nxpk= 25, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2175,2176,2177,
&end
#
# 136 ALA HA 141 MET ME 5.50 (# 4430:25 Unique 4.11, 5.75 A)
&rst
ixpk= 4430, nxpk= 25, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2175,2176,2177,
&end
#
# 0 AMB 25-2:4432 141 MET ME 5.50 (# 4432:25 Single Ambig)
&rst
ixpk= 4432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2142,2183,
igr2=2175,2176,2177,
&end
#
# 141 MET HG+ 141 MET ME 4.50 (# 4436:25 Unique 2.53, 3.71 A)
&rst
ixpk= 4436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2171,2172,
igr2=2175,2176,2177,
&end
#
# 141 MET HG- 141 MET ME 2.80 (# 4437:25 Unique 2.53, 3.71 A)
&rst
ixpk= 4437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2171,2172,
igr2=2175,2176,2177,
&end
#
# 141 MET HB- 141 MET ME 3.50 (# 4439:25 Unique 2.28, 3.62 A)
&rst
ixpk= 4439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2168,2169,
igr2=2175,2176,2177,
&end
#
# 134 LEU HB+ 141 MET ME 5.50 (# 4440:25 Unique 2.99, 5.80 A)
&rst
ixpk= 4440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2070,2071,
igr2=2175,2176,2177,
&end
#
# 136 ALA MB 141 MET ME 4.50 (# 4441:25 Unique 2.46, 5.56 A)
&rst
ixpk= 4441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2096,2097,2098,
igr2=2175,2176,2177,
&end
#
# 0 AMB 25-2:4443 141 MET ME 4.50 (# 4443:25 Single Ambig)
&rst
ixpk= 4443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2075,2076,2077,2079,2080,2081,2075,2076,2077,2079,
2080,2081,
igr2=2175,2176,2177,
&end
#
# 143 ILE HG1- 141 MET ME 5.50 (# 4444:25 Unique 4.98, 6.84 A)
&rst
ixpk= 4444, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2210,2211,
igr2=2175,2176,2177,
&end
#
# 143 ILE QD1 141 MET ME 5.50 (# 4445:25 Unique 5.75, 8.19 A)
&rst
ixpk= 4445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2213,2214,2215,
igr2=2175,2176,2177,
&end
#
# 0 AMB 25-2:4446 0 AMB 25-1:4446 5.50 (# 4446:25 Double Ambig)
&rst
ixpk= 4446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2434,2343,
igr2=2419,2304,
&end
#
# 149 LYS HN 149 LYS HA 5.50 (# 4447:25 Unique 2.92, 2.98 A)
&rst
ixpk= 4447, nxpk= 25, iat=2302,2304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 MET HG+ 156 MET HA 5.50 (# 4448:25 Unique 2.66, 3.71 A)
&rst
ixpk= 4448, nxpk= 25, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2424,2425,
&end
#
# 0 AMB 25-2:4449 156 MET HA 5.50 (# 4449:25 Single Ambig)
&rst
ixpk= 4449, nxpk= 25, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2424,2425,2409,2410,2409,2410,
&end
#
# 159 LEU MDX 156 MET HA 4.50 (# 4450:25 Unique 2.25, 3.93 A)
&rst
ixpk= 4450, nxpk= 25, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2472,2473,2474,2476,2477,2478,
&end
#
# 23 THR HN 105 VAL HA 5.50 (# 4451:25 Unique 3.44, 3.51 A)
&rst
ixpk= 4451, nxpk= 25, iat= 333,1632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 LEU HN 134 LEU HA 5.50 (# 4452:25 Unique 1.94, 2.26 A)
&rst
ixpk= 4452, nxpk= 25, iat=2219,2068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 ALA HA 141 MET HA 3.50 (# 4453:25 Unique 2.02, 2.09 A)
&rst
ixpk= 4453, nxpk= 25, iat=2094,2166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 VAL HN 60 ASN HA 4.50 (# 4454:25 Unique 3.92, 4.24 A)
&rst
ixpk= 4454, nxpk= 25, iat=1014, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 THR HN 129 GLU HA 5.50 (# 4456:25 Unique 4.06, 4.94 A)
&rst
ixpk= 4456, nxpk= 25, iat=1976,1992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 VAL HN 41 GLY HA- 5.50 (# 4457:25 Unique 2.27, 4.42 A)
&rst
ixpk= 4457, nxpk= 25, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 627, 628,
&end
#
# 42 TYR HN 87 VAL HA 5.50 (# 4458:25 Unique 2.79, 3.37 A)
&rst
ixpk= 4458, nxpk= 25, iat= 632,1356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HD 22 PHE HB+ 5.50 (# 4460:25 Unique 2.40, 3.08 A)
&rst
ixpk= 4460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 329,
igr2= 317, 318,
&end
#
# 22 PHE HD 22 PHE HB- 5.50 (# 4461:25 Unique 2.40, 3.08 A)
&rst
ixpk= 4461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 329,
igr2= 317, 318,
&end
#
# 77 GLN HN 80 VAL MGX 5.50 (# 4462:25 Unique 4.42, 7.07 A)
&rst
ixpk= 4462, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4463 80 VAL MGX 5.50 (# 4463:25 Single Ambig)
&rst
ixpk= 4463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1239,1279,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 81 ASP HN 80 VAL MGX 4.50 (# 4464:25 Unique 2.55, 4.62 A)
&rst
ixpk= 4464, nxpk= 25, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 80 VAL HN 80 VAL MGX 3.50 (# 4465:25 Unique 1.89, 3.16 A)
&rst
ixpk= 4465, nxpk= 25, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 79 ASP HA 80 VAL MGX 5.50 (# 4469:25 Unique 3.50, 5.03 A)
&rst
ixpk= 4469, nxpk= 25, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 80 VAL HA 80 VAL MGX 3.50 (# 4471:25 Unique 2.24, 3.49 A)
&rst
ixpk= 4471, nxpk= 25, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4473 80 VAL MGX 5.50 (# 4473:25 Single Ambig)
&rst
ixpk= 4473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1318,1319,1243,1244,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4474 80 VAL MGX 5.50 (# 4474:25 Single Ambig)
&rst
ixpk= 4474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1271,1272,1271,1272,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4475 80 VAL MGX 5.50 (# 4475:25 Single Ambig)
&rst
ixpk= 4475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1213,1214,1213,1214,1083,1084,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4476 80 VAL MGX 4.50 (# 4476:25 Single Ambig)
&rst
ixpk= 4476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1210,1211,1583,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4478 80 VAL MGX 4.50 (# 4478:25 Single Ambig)
&rst
ixpk= 4478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1210,1211,1117,1118,1117,1118,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4479 80 VAL MGX 2.80 (# 4479:25 Single Ambig)
&rst
ixpk= 4479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1114,1115,1114,1115,1255,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 71 LEU HB- 80 VAL MGX 5.50 (# 4480:25 Unique 3.89, 7.39 A)
&rst
ixpk= 4480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1095,1096,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 73 ILE HG1- 80 VAL MGX 4.50 (# 4481:25 Unique 5.75, 7.85 A)
&rst
ixpk= 4481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1144,1145,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 73 ILE HG1+ 80 VAL MGX 4.50 (# 4482:25 Unique 5.75, 7.85 A)
&rst
ixpk= 4482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1144,1145,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 72 ARG HN 80 VAL MGY 5.50 (# 4483:25 Unique 2.88, 4.88 A)
&rst
ixpk= 4483, nxpk= 25, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 81 ASP HN 80 VAL MGY 4.50 (# 4485:25 Unique 2.55, 4.62 A)
&rst
ixpk= 4485, nxpk= 25, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 80 VAL HN 80 VAL MGY 4.50 (# 4486:25 Unique 1.89, 3.16 A)
&rst
ixpk= 4486, nxpk= 25, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 73 ILE HN 80 VAL MGY 5.50 (# 4488:25 Unique 5.10, 6.78 A)
&rst
ixpk= 4488, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4491 80 VAL MGY 5.50 (# 4491:25 Single Ambig)
&rst
ixpk= 4491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1241,1269,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 80 VAL HA 80 VAL MGY 3.50 (# 4492:25 Unique 2.24, 3.49 A)
&rst
ixpk= 4492, nxpk= 25, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4495 80 VAL MGY 5.50 (# 4495:25 Single Ambig)
&rst
ixpk= 4495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1271,1272,1271,1272,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4496 80 VAL MGY 2.80 (# 4496:25 Single Ambig)
&rst
ixpk= 4496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1114,1115,1114,1115,1255,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 0 AMB 25-2:4499 80 VAL MGY 5.50 (# 4499:25 Single Ambig)
&rst
ixpk= 4499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1213,1214,1213,1214,1083,1084,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 71 LEU HN 0 AMB 25-1:4500 5.50 (# 4500:25 Single Ambig)
&rst
ixpk= 4500, nxpk= 25, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 74 LYS HN 0 AMB 25-1:4501 5.50 (# 4501:25 Single Ambig)
&rst
ixpk= 4501, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 75 PHE HE 0 AMB 25-1:4502 5.50 (# 4502:25 Single Ambig)
&rst
ixpk= 4502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1185,1189,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 73 ILE HN 0 AMB 25-1:4504 5.50 (# 4504:25 Single Ambig)
&rst
ixpk= 4504, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4505 0 AMB 25-1:4505 5.50 (# 4505:25 Double Ambig)
&rst
ixpk= 4505, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 349,1177,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 71 LEU HA 0 AMB 25-1:4506 3.50 (# 4506:25 Single Ambig)
&rst
ixpk= 4506, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4507 0 AMB 25-1:4507 5.50 (# 4507:25 Double Ambig)
&rst
ixpk= 4507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1166,1167,1166,1167,1166,1167,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4508 0 AMB 25-1:4508 4.50 (# 4508:25 Double Ambig)
&rst
ixpk= 4508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1067,1210,1211,1210,1211,1583,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4509 0 AMB 25-1:4509 3.50 (# 4509:25 Double Ambig)
&rst
ixpk= 4509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 351, 352, 351, 352,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4510 0 AMB 25-1:4510 2.80 (# 4510:25 Double Ambig)
&rst
ixpk= 4510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 354,1098,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 71 LEU HB- 0 AMB 25-1:4511 2.80 (# 4511:25 Single Ambig)
&rst
ixpk= 4511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1095,1096,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4512 0 AMB 25-1:4512 4.50 (# 4512:25 Double Ambig)
&rst
ixpk= 4512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1157,1158,1157,1158,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4513 0 AMB 25-1:4513 3.50 (# 4513:25 Double Ambig)
&rst
ixpk= 4513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1570,1571,1570,1571,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4514 0 AMB 25-1:4514 2.80 (# 4514:25 Double Ambig)
&rst
ixpk= 4514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1069,1070,1071,1073,1074,1075, 456, 457, 458,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 102 VAL MGY 0 AMB 25-1:4515 4.50 (# 4515:25 Single Ambig)
&rst
ixpk= 4515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1601,1602,1603,1605,1606,1607,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 100 ILE QD1 0 AMB 25-1:4516 3.50 (# 4516:25 Single Ambig)
&rst
ixpk= 4516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1573,1574,1575,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 0 AMB 25-2:4517 0 AMB 25-1:4517 3.50 (# 4517:25 Double Ambig)
&rst
ixpk= 4517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1095,1096,1095,1096, 351, 352,
igr2=1100,1101,1102,1104,1105,1106,1100,1101,1102,1104,
1105,1106,
&end
#
# 81 ASP HN 80 VAL HB 4.50 (# 4519:25 Unique 1.76, 2.77 A)
&rst
ixpk= 4519, nxpk= 25, iat=1267,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 VAL HN 80 VAL HB 4.50 (# 4520:25 Unique 3.55, 3.66 A)
&rst
ixpk= 4520, nxpk= 25, iat=1251,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 VAL HA 80 VAL HB 3.50 (# 4523:25 Unique 2.38, 2.49 A)
&rst
ixpk= 4523, nxpk= 25, iat=1253,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4526 80 VAL HB 2.80 (# 4526:25 Single Ambig)
&rst
ixpk= 4526, nxpk= 25, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 81 ASP HN 80 VAL HA 2.80 (# 4527:25 Unique 2.08, 2.26 A)
&rst
ixpk= 4527, nxpk= 25, iat=1267,1253, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 VAL HN 80 VAL HA 3.50 (# 4528:25 Unique 2.18, 2.70 A)
&rst
ixpk= 4528, nxpk= 25, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HB 80 VAL HA 3.50 (# 4531:25 Unique 2.38, 2.49 A)
&rst
ixpk= 4531, nxpk= 25, iat=1255,1253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4532 80 VAL HA 2.80 (# 4532:25 Single Ambig)
&rst
ixpk= 4532, nxpk= 25, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 83 ASN HN 81 ASP HA 5.50 (# 4533:25 Unique 4.00, 4.12 A)
&rst
ixpk= 4533, nxpk= 25, iat=1300,1269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 TYR HN 81 ASP HA 2.80 (# 4534:25 Unique 2.12, 2.40 A)
&rst
ixpk= 4534, nxpk= 25, iat=1279,1269, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 ASP HN 81 ASP HA 4.50 (# 4535:25 Unique 2.68, 2.93 A)
&rst
ixpk= 4535, nxpk= 25, iat=1267,1269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4536 81 ASP HA 5.50 (# 4536:25 Single Ambig)
&rst
ixpk= 4536, nxpk= 25, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1318,1319,1243,1244, 869, 870,
&end
#
# 0 AMB 25-2:4537 81 ASP HA 2.80 (# 4537:25 Single Ambig)
&rst
ixpk= 4537, nxpk= 25, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1271,1272,1271,1272,
&end
#
# 0 AMB 25-2:4539 81 ASP HA 4.50 (# 4539:25 Single Ambig)
&rst
ixpk= 4539, nxpk= 25, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1257,1258,1259,1261,1262,1263,1257,1258,1259,1261,
1262,1263,
&end
#
# 82 TYR HN 0 AMB 25-1:4541 3.50 (# 4541:25 Single Ambig)
&rst
ixpk= 4541, nxpk= 25, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1271,1272,1271,1272,
&end
#
# 55 ILE HN 55 ILE HB 4.50 (# 4542:25 Unique 2.47, 2.79 A)
&rst
ixpk= 4542, nxpk= 25, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HA 55 ILE HB 5.50 (# 4543:25 Unique 2.93, 3.04 A)
&rst
ixpk= 4543, nxpk= 25, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 THR HB 55 ILE HB 4.50 (# 4544:25 Unique 2.12, 2.32 A)
&rst
ixpk= 4544, nxpk= 25, iat= 783, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 156 MET HN 0 AMB 25-1:4545 4.50 (# 4545:25 Single Ambig)
&rst
ixpk= 4545, nxpk= 25, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2421,2422,2421,2422,
&end
#
# 157 ALA HN 0 AMB 25-1:4546 4.50 (# 4546:25 Single Ambig)
&rst
ixpk= 4546, nxpk= 25, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2421,2422,2421,2422,
&end
#
# 156 MET HA 0 AMB 25-1:4547 3.50 (# 4547:25 Single Ambig)
&rst
ixpk= 4547, nxpk= 25, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2421,2422,2421,2422,
&end
#
# 156 MET ME 0 AMB 25-1:4548 3.50 (# 4548:25 Single Ambig)
&rst
ixpk= 4548, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2428,2429,2430,
igr2=2421,2422,2421,2422,
&end
#
# 156 MET HN 156 MET ME 5.50 (# 4550:25 Unique 2.41, 3.48 A)
&rst
ixpk= 4550, nxpk= 25, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2428,2429,2430,
&end
#
# 157 ALA HN 156 MET ME 5.50 (# 4551:25 Unique 1.86, 3.39 A)
&rst
ixpk= 4551, nxpk= 25, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2428,2429,2430,
&end
#
# 156 MET HA 156 MET ME 4.50 (# 4557:25 Unique 4.44, 5.38 A)
&rst
ixpk= 4557, nxpk= 25, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2428,2429,2430,
&end
#
# 152 ASN HB+ 156 MET ME 5.50 (# 4559:25 Unique 4.52, 8.33 A)
&rst
ixpk= 4559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2366,2367,
igr2=2428,2429,2430,
&end
#
# 156 MET HG+ 156 MET ME 4.50 (# 4560:25 Unique 2.22, 3.53 A)
&rst
ixpk= 4560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2424,2425,
igr2=2428,2429,2430,
&end
#
# 0 AMB 25-2:4561 156 MET ME 4.50 (# 4561:25 Single Ambig)
&rst
ixpk= 4561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2424,2425,2409,2410,2409,2410,
igr2=2428,2429,2430,
&end
#
# 0 AMB 25-2:4562 156 MET ME 3.50 (# 4562:25 Single Ambig)
&rst
ixpk= 4562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2406,2407,2406,2407,
igr2=2428,2429,2430,
&end
#
# 0 AMB 25-2:4563 156 MET ME 3.50 (# 4563:25 Single Ambig)
&rst
ixpk= 4563, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2421,2422,2421,2422,
igr2=2428,2429,2430,
&end
#
# 0 AMB 25-2:4564 156 MET ME 5.50 (# 4564:25 Single Ambig)
&rst
ixpk= 4564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1997,1998,1997,1998,
igr2=2428,2429,2430,
&end
#
# 157 ALA MB 156 MET ME 4.50 (# 4565:25 Unique 2.30, 4.70 A)
&rst
ixpk= 4565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2438,2439,2440,
igr2=2428,2429,2430,
&end
#
# 155 GLU HN 155 GLU HA 4.50 (# 4568:25 Unique 2.64, 2.77 A)
&rst
ixpk= 4568, nxpk= 25, iat=2402,2404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4569 155 GLU HA 3.50 (# 4569:25 Single Ambig)
&rst
ixpk= 4569, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2409,2410,2409,2410,
&end
#
# 0 AMB 25-2:4570 155 GLU HA 2.80 (# 4570:25 Single Ambig)
&rst
ixpk= 4570, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2406,2407,2406,2407,
&end
#
# 158 LEU HB+ 155 GLU HA 3.50 (# 4571:25 Unique 2.29, 3.09 A)
&rst
ixpk= 4571, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2448,2449,
&end
#
# 0 AMB 25-2:4572 155 GLU HA 4.50 (# 4572:25 Single Ambig)
&rst
ixpk= 4572, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2467,2468,2428,2429,2430,
&end
#
# 0 AMB 25-2:4573 155 GLU HA 5.50 (# 4573:25 Single Ambig)
&rst
ixpk= 4573, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2467,2468,1504,1505,1504,1505,
&end
#
# 0 AMB 25-2:4575 155 GLU HA 3.50 (# 4575:25 Single Ambig)
&rst
ixpk= 4575, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 151 LEU MDY 155 GLU HA 5.50 (# 4576:25 Unique 2.21, 5.12 A)
&rst
ixpk= 4576, nxpk= 25, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2352,2353,2354,2356,2357,2358,
&end
#
# 155 GLU HN 0 AMB 25-1:4577 4.50 (# 4577:25 Single Ambig)
&rst
ixpk= 4577, nxpk= 25, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2406,2407,2406,2407,
&end
#
# 155 GLU HA 0 AMB 25-1:4578 3.50 (# 4578:25 Single Ambig)
&rst
ixpk= 4578, nxpk= 25, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2406,2407,2406,2407,
&end
#
# 0 AMB 25-2:4579 0 AMB 25-1:4579 5.50 (# 4579:25 Double Ambig)
&rst
ixpk= 4579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2352,2353,2354,2356,2357,2358,2472,2473,2474,2476,
2477,2478,
igr2=2406,2407,2406,2407,2406,2407,
&end
#
# 155 GLU HN 0 AMB 25-1:4580 4.50 (# 4580:25 Single Ambig)
&rst
ixpk= 4580, nxpk= 25, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2409,2410,2409,2410,
&end
#
# 155 GLU HA 0 AMB 25-1:4581 4.50 (# 4581:25 Single Ambig)
&rst
ixpk= 4581, nxpk= 25, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2409,2410,2409,2410,
&end
#
# 0 AMB 25-2:4582 0 AMB 25-1:4582 2.80 (# 4582:25 Double Ambig)
&rst
ixpk= 4582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2406,2407,2406,2407,2406,2407,
igr2=2409,2410,2409,2410,2409,2410,
&end
#
# 0 AMB 25-2:4583 0 AMB 25-1:4583 3.50 (# 4583:25 Double Ambig)
&rst
ixpk= 4583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2467,2468,2467,2468,2428,2429,2430,
igr2=2409,2410,2409,2410,2409,2410,
&end
#
# 130 TYR HB- 150 LEU MDY 5.50 (# 4584:25 Unique 2.76, 7.74 A)
&rst
ixpk= 4584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2009,2010,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 145 VAL HA 150 LEU MDY 5.50 (# 4586:25 Unique 5.00, 7.63 A)
&rst
ixpk= 4586, nxpk= 25, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2333,2334,2335,2337,2338,2339,
&end
#
# 55 ILE HN 54 PHE HA 5.50 (# 4587:25 Unique 2.72, 3.35 A)
&rst
ixpk= 4587, nxpk= 25, iat= 837, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:4588 54 PHE HA 4.50 (# 4588:25 Single Ambig)
&rst
ixpk= 4588, nxpk= 25, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 817, 825, 833,
&end
#
# 54 PHE HB+ 54 PHE HA 4.50 (# 4590:25 Unique 2.33, 2.70 A)
&rst
ixpk= 4590, nxpk= 25, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 54 PHE HB- 54 PHE HA 4.50 (# 4591:25 Unique 2.33, 2.70 A)
&rst
ixpk= 4591, nxpk= 25, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 0 AMB 25-2:4592 54 PHE HA 3.50 (# 4592:25 Single Ambig)
&rst
ixpk= 4592, nxpk= 25, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1138, 860, 861,
&end
#
# 0 AMB 25-2:4594 54 PHE HA 2.80 (# 4594:25 Single Ambig)
&rst
ixpk= 4594, nxpk= 25, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1140,1141,1142,1147,1148,1149,
&end
#
# 0 AMB 25-2:4595 0 AMB 25-1:4595 5.50 (# 4595:25 Double Ambig)
&rst
ixpk= 4595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2434,1153,
igr2= 821, 822, 821, 822,
&end
#
# 54 PHE HE 54 PHE HB+ 5.50 (# 4596:25 Unique 4.66, 5.11 A)
&rst
ixpk= 4596, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 827, 831,
igr2= 821, 822,
&end
#
# 54 PHE HE 54 PHE HB- 5.50 (# 4597:25 Unique 4.66, 5.11 A)
&rst
ixpk= 4597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 827, 831,
igr2= 821, 822,
&end
#
# 0 AMB 25-2:4598 0 AMB 25-1:4598 4.50 (# 4598:25 Double Ambig)
&rst
ixpk= 4598, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 825, 833, 817,
igr2= 821, 822, 821, 822,
&end
#
# 0 AMB 25-2:4599 54 PHE HB- 4.50 (# 4599:25 Single Ambig)
&rst
ixpk= 4599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 825, 833, 817,
igr2= 821, 822,
&end
#
# 54 PHE HA 54 PHE HB+ 4.50 (# 4600:25 Unique 2.33, 2.70 A)
&rst
ixpk= 4600, nxpk= 25, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 54 PHE HA 54 PHE HB- 4.50 (# 4601:25 Unique 2.33, 2.70 A)
&rst
ixpk= 4601, nxpk= 25, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 0 AMB 25-2:4602 0 AMB 25-1:4602 5.50 (# 4602:25 Double Ambig)
&rst
ixpk= 4602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 794, 795,1155,
igr2= 821, 822, 821, 822,
&end
#
# 74 LYS HA 54 PHE HB- 5.50 (# 4603:25 Unique 6.27, 8.72 A)
&rst
ixpk= 4603, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 821, 822,
&end
#
# 0 AMB 25-2:4604 0 AMB 25-1:4604 4.50 (# 4604:25 Double Ambig)
&rst
ixpk= 4604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1140,1141,1142,2453,2454,2455,2457,2458,2459,2453,
2454,2455,2457,2458,2459,1069,1070,1071,1073,1074,
1075,1069,1070,1071,1073,1074,1075,
igr2= 821, 822, 821, 822, 821, 822, 821, 822, 821, 822,
&end
#
# 0 AMB 25-2:4605 54 PHE HB- 4.50 (# 4605:25 Single Ambig)
&rst
ixpk= 4605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1140,1141,1142,2453,2454,2455,2457,2458,2459,2453,
2454,2455,2457,2458,2459,1069,1070,1071,1073,1074,
1075,1069,1070,1071,1073,1074,1075,
igr2= 821, 822,
&end
#
# 55 ILE HN 53 ALA MB 5.50 (# 4606:25 Unique 4.86, 5.36 A)
&rst
ixpk= 4606, nxpk= 25, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 811, 812, 813,
&end
#
# 0 AMB 25-2:4607 53 ALA MB 4.50 (# 4607:25 Single Ambig)
&rst
ixpk= 4607, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 817, 825, 833,
igr2= 811, 812, 813,
&end
#
# 53 ALA HA 53 ALA MB 2.80 (# 4610:25 Unique 2.41, 2.66 A)
&rst
ixpk= 4610, nxpk= 25, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 811, 812, 813,
&end
#
# 0 AMB 25-2:4611 53 ALA MB 3.50 (# 4611:25 Single Ambig)
&rst
ixpk= 4611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1140,1141,1142,1147,1148,1149,
igr2= 811, 812, 813,
&end
#
# 55 ILE HN 53 ALA HA 5.50 (# 4612:25 Unique 3.22, 3.67 A)
&rst
ixpk= 4612, nxpk= 25, iat= 837, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HN 53 ALA HA 4.50 (# 4613:25 Unique 2.22, 3.41 A)
&rst
ixpk= 4613, nxpk= 25, iat= 817, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 ALA MB 53 ALA HA 2.80 (# 4616:25 Unique 2.41, 2.66 A)
&rst
ixpk= 4616, nxpk= 25, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 811, 812, 813,
&end
#
# 0 AMB 25-2:4617 53 ALA HA 3.50 (# 4617:25 Single Ambig)
&rst
ixpk= 4617, nxpk= 25, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1140,1141,1142,1147,1148,1149,
&end
#
# 149 LYS HG- 149 LYS HA 5.50 (# 4618:25 Unique 2.27, 3.05 A)
&rst
ixpk= 4618, nxpk= 25, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2309,2310,
&end
#
# 0 AMB 25-2:4619 73 ILE QD1 5.50 (# 4619:25 Single Ambig)
&rst
ixpk= 4619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 825, 833, 817,
igr2=1147,1148,1149,
&end
#
# 22 PHE HN 142 LEU MDX 5.50 (# 4631:25 Unique 3.95, 6.60 A)
&rst
ixpk= 4631, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 142 LEU HN 142 LEU MDX 4.50 (# 4632:25 Unique 2.09, 4.21 A)
&rst
ixpk= 4632, nxpk= 25, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4633 142 LEU MDX 5.50 (# 4633:25 Single Ambig)
&rst
ixpk= 4633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 436,2128,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4634 142 LEU MDX 4.50 (# 4634:25 Single Ambig)
&rst
ixpk= 4634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2164,2200,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 30 GLY HA+ 142 LEU MDX 5.50 (# 4635:25 Unique 2.60, 5.97 A)
&rst
ixpk= 4635, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 438, 439,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 29 TYR HA 142 LEU MDX 4.50 (# 4636:25 Unique 3.72, 6.01 A)
&rst
ixpk= 4636, nxpk= 25, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4637 142 LEU MDX 4.50 (# 4637:25 Single Ambig)
&rst
ixpk= 4637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2087,2088, 402,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 142 LEU HA 142 LEU MDX 4.50 (# 4638:25 Unique 2.31, 3.76 A)
&rst
ixpk= 4638, nxpk= 25, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4639 142 LEU MDX 4.50 (# 4639:25 Single Ambig)
&rst
ixpk= 4639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2150,2151, 438, 439,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 28 GLU HB+ 142 LEU MDX 4.50 (# 4640:25 Unique 2.26, 4.57 A)
&rst
ixpk= 4640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 404, 405,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4641 142 LEU MDX 4.50 (# 4641:25 Single Ambig)
&rst
ixpk= 4641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 407, 408,2168,2169,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4642 142 LEU MDX 2.80 (# 4642:25 Single Ambig)
&rst
ixpk= 4642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 404, 405,1689,1690,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 142 LEU HG 142 LEU MDX 2.80 (# 4643:25 Unique 2.31, 2.64 A)
&rst
ixpk= 4643, nxpk= 25, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 0 AMB 25-2:4644 142 LEU MDX 2.80 (# 4644:25 Single Ambig)
&rst
ixpk= 4644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2185,2186,2185,2186,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 144 LEU MDY 142 LEU MDX 4.50 (# 4645:25 Unique 3.67, 6.86 A)
&rst
ixpk= 4645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2228,2229,2230,2232,2233,2234,
igr2=2190,2191,2192,2194,2195,2196,
&end
#
# 152 ASN HD2+ 152 ASN HB+ 4.50 (# 4646:25 Unique 2.23, 3.36 A)
&rst
ixpk= 4646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2371,2372,
igr2=2366,2367,
&end
#
# 152 ASN HD2+ 152 ASN HB- 4.50 (# 4647:25 Unique 2.23, 3.36 A)
&rst
ixpk= 4647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2371,2372,
igr2=2366,2367,
&end
#
# 152 ASN HD2- 152 ASN HB+ 5.50 (# 4648:25 Unique 2.23, 3.36 A)
&rst
ixpk= 4648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2371,2372,
igr2=2366,2367,
&end
#
# 152 ASN HD2- 152 ASN HB- 4.50 (# 4649:25 Unique 2.23, 3.36 A)
&rst
ixpk= 4649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2371,2372,
igr2=2366,2367,
&end
#
# 152 ASN HA 152 ASN HB+ 3.50 (# 4650:25 Unique 2.20, 2.60 A)
&rst
ixpk= 4650, nxpk= 25, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2366,2367,
&end
#
# 152 ASN HA 152 ASN HB- 2.80 (# 4651:25 Unique 2.20, 2.60 A)
&rst
ixpk= 4651, nxpk= 25, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2366,2367,
&end
#
# 32 ASP HN 147 ILE QG2 5.50 (# 4653:25 Unique 2.47, 3.78 A)
&rst
ixpk= 4653, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4654 147 ILE QG2 5.50 (# 4654:25 Single Ambig)
&rst
ixpk= 4654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1473,1440,
igr2=2274,2275,2276,
&end
#
# 148 GLU HN 147 ILE QG2 4.50 (# 4656:25 Unique 2.32, 3.41 A)
&rst
ixpk= 4656, nxpk= 25, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2274,2275,2276,
&end
#
# 146 ASN HA 147 ILE QG2 4.50 (# 4661:25 Unique 3.72, 5.08 A)
&rst
ixpk= 4661, nxpk= 25, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4663 147 ILE QG2 5.50 (# 4663:25 Single Ambig)
&rst
ixpk= 4663, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1456,2047,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4664 147 ILE QG2 3.50 (# 4664:25 Single Ambig)
&rst
ixpk= 4664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2289,2270, 464,
igr2=2274,2275,2276,
&end
#
# 35 LYS HE+ 147 ILE QG2 5.50 (# 4665:25 Unique 2.70, 4.79 A)
&rst
ixpk= 4665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 525, 526,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4666 147 ILE QG2 5.50 (# 4666:25 Single Ambig)
&rst
ixpk= 4666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 466, 467, 466, 467,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4667 147 ILE QG2 5.50 (# 4667:25 Single Ambig)
&rst
ixpk= 4667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2294,2295,2294,2295,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4668 147 ILE QG2 4.50 (# 4668:25 Single Ambig)
&rst
ixpk= 4668, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2291,2292,2291,2292, 516, 517,
igr2=2274,2275,2276,
&end
#
# 147 ILE HB 147 ILE QG2 2.80 (# 4669:25 Unique 2.36, 2.65 A)
&rst
ixpk= 4669, nxpk= 25, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4670 147 ILE QG2 3.50 (# 4670:25 Single Ambig)
&rst
ixpk= 4670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 522, 523, 522, 523,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4671 147 ILE QG2 2.80 (# 4671:25 Single Ambig)
&rst
ixpk= 4671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 519, 520,2278,2279,
igr2=2274,2275,2276,
&end
#
# 0 AMB 25-2:4673 147 ILE QG2 3.50 (# 4673:25 Single Ambig)
&rst
ixpk= 4673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1430,1431,1432,1434,1435,1436,1463,1464,1465,1467,
1468,1469,1463,1464,1465,1467,1468,1469,
igr2=2274,2275,2276,
&end
#
# 159 LEU MDY 156 MET HG+ 5.50 (# 4675:25 Unique 3.70, 6.99 A)
&rst
ixpk= 4675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2472,2473,2474,2476,2477,2478,
igr2=2424,2425,
&end
#
# 159 LEU MDX 156 MET HG+ 5.50 (# 4676:25 Unique 3.70, 6.99 A)
&rst
ixpk= 4676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2472,2473,2474,2476,2477,2478,
igr2=2424,2425,
&end
#
# 159 LEU MDY 156 MET HG- 5.50 (# 4677:25 Unique 3.70, 6.99 A)
&rst
ixpk= 4677, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2472,2473,2474,2476,2477,2478,
igr2=2424,2425,
&end
#
# 156 MET ME 156 MET HG+ 5.50 (# 4680:25 Unique 2.22, 3.53 A)
&rst
ixpk= 4680, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2428,2429,2430,
igr2=2424,2425,
&end
#
# 156 MET ME 156 MET HG- 4.50 (# 4681:25 Unique 2.22, 3.53 A)
&rst
ixpk= 4681, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2428,2429,2430,
igr2=2424,2425,
&end
#
# 0 AMB 25-2:4682 0 AMB 25-1:4682 3.50 (# 4682:25 Double Ambig)
&rst
ixpk= 4682, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2421,2422,2421,2422,
igr2=2424,2425,2424,2425,
&end
#
# 0 AMB 25-2:4683 156 MET HG- 2.80 (# 4683:25 Single Ambig)
&rst
ixpk= 4683, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2421,2422,2421,2422,
igr2=2424,2425,
&end
#
# 0 AMB 25-2:4684 156 MET HG- 4.50 (# 4684:25 Single Ambig)
&rst
ixpk= 4684, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2406,2407,2406,2407,
igr2=2424,2425,
&end
#
# 0 AMB 25-2:4685 0 AMB 25-1:4685 5.50 (# 4685:25 Double Ambig)
&rst
ixpk= 4685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2406,2407,2406,2407,
igr2=2424,2425,2424,2425,
&end
#
# 156 MET HA 156 MET HG+ 5.50 (# 4686:25 Unique 2.66, 3.71 A)
&rst
ixpk= 4686, nxpk= 25, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2424,2425,
&end
#
# 156 MET HA 156 MET HG- 4.50 (# 4687:25 Unique 2.66, 3.71 A)
&rst
ixpk= 4687, nxpk= 25, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2424,2425,
&end
#
# 157 ALA HN 156 MET HG+ 5.50 (# 4691:25 Unique 2.39, 4.28 A)
&rst
ixpk= 4691, nxpk= 25, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2424,2425,
&end
#
# 157 ALA HN 156 MET HG- 5.50 (# 4692:25 Unique 2.39, 4.28 A)
&rst
ixpk= 4692, nxpk= 25, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2424,2425,
&end
#
# 156 MET HN 156 MET HG+ 5.50 (# 4693:25 Unique 1.94, 3.13 A)
&rst
ixpk= 4693, nxpk= 25, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2424,2425,
&end
#
# 156 MET HN 156 MET HG- 4.50 (# 4694:25 Unique 1.94, 3.13 A)
&rst
ixpk= 4694, nxpk= 25, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2424,2425,
&end
#
# 135 GLY HA- 141 MET HG+ 5.50 (# 4697:25 Unique 5.05, 6.76 A)
&rst
ixpk= 4697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2087,2088,
igr2=2171,2172,
&end
#
# 0 AMB 25-2:4698 0 AMB 25-1:4698 5.50 (# 4698:25 Double Ambig)
&rst
ixpk= 4698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2070,2071,2106,2107,2073,2109,
igr2=2171,2172,2171,2172,2171,2172,2171,2172,
&end
#
# 117 ARG HA 117 ARG HB+ 2.80 (# 4707:25 Unique 2.24, 2.41 A)
&rst
ixpk= 4707, nxpk= 25, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1813,1814,
&end
#
# 117 ARG HA 117 ARG HB- 4.50 (# 4708:25 Unique 2.24, 2.41 A)
&rst
ixpk= 4708, nxpk= 25, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1813,1814,
&end
#
# 0 AMB 25-2:4712 0 AMB 25-1:4712 3.50 (# 4712:25 Double Ambig)
&rst
ixpk= 4712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 198, 199,1762,1763,1837,1838,
igr2=1813,1814,1813,1814,1813,1814,
&end
#
# 0 AMB 25-2:4713 117 ARG HB- 5.50 (# 4713:25 Single Ambig)
&rst
ixpk= 4713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 198, 199,1762,1763,1837,1838,
igr2=1813,1814,
&end
#
# 117 ARG HB+ 117 ARG HA 2.80 (# 4717:25 Unique 2.24, 2.41 A)
&rst
ixpk= 4717, nxpk= 25, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1813,1814,
&end
#
# 0 AMB 25-2:4718 117 ARG HA 5.50 (# 4718:25 Single Ambig)
&rst
ixpk= 4718, nxpk= 25, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 198, 199,1837,1838, 201, 202,
&end
#
# 0 AMB 25-2:4719 117 ARG HA 5.50 (# 4719:25 Single Ambig)
&rst
ixpk= 4719, nxpk= 25, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1752,1753,1754,2070,2071,
&end
#
# 117 ARG HB- 117 ARG HA 3.50 (# 4720:25 Unique 2.24, 2.41 A)
&rst
ixpk= 4720, nxpk= 25, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1813,1814,
&end
#
# 140 ARG HA 140 ARG HD+ 5.50 (# 4723:25 Unique 2.33, 4.51 A)
&rst
ixpk= 4723, nxpk= 25, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2150,2151,
&end
#
# 140 ARG HA 140 ARG HD- 5.50 (# 4724:25 Unique 2.33, 4.51 A)
&rst
ixpk= 4724, nxpk= 25, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2150,2151,
&end
#
# 56 LYS HA 56 LYS HE+ 5.50 (# 4729:25 Unique 2.94, 4.53 A)
&rst
ixpk= 4729, nxpk= 25, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 870,
&end
#
# 56 LYS HB+ 56 LYS HE+ 5.50 (# 4730:25 Unique 2.13, 4.45 A)
&rst
ixpk= 4730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 860, 861,
igr2= 869, 870,
&end
#
# 56 LYS HB+ 56 LYS HE- 5.50 (# 4731:25 Unique 2.13, 4.45 A)
&rst
ixpk= 4731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 860, 861,
igr2= 869, 870,
&end
#
# 0 AMB 25-2:4732 0 AMB 25-1:4732 3.50 (# 4732:25 Double Ambig)
&rst
ixpk= 4732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1255,1114,1115,1114,1115,
igr2= 869, 870, 869, 870, 869, 870,
&end
#
# 0 AMB 25-2:4733 56 LYS HE- 4.50 (# 4733:25 Single Ambig)
&rst
ixpk= 4733, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1255,1114,1115,1114,1115,
igr2= 869, 870,
&end
#
# 73 ILE HG1- 56 LYS HE+ 5.50 (# 4734:25 Unique 2.44, 6.02 A)
&rst
ixpk= 4734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1144,1145,
igr2= 869, 870,
&end
#
# 73 ILE HG1- 56 LYS HE- 5.50 (# 4735:25 Unique 2.44, 6.02 A)
&rst
ixpk= 4735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1144,1145,
igr2= 869, 870,
&end
#
# 117 ARG HN 0 AMB 25-1:4736 3.50 (# 4736:25 Single Ambig)
&rst
ixpk= 4736, nxpk= 25, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1816,1817,1816,1817,
&end
#
# 0 AMB 25-2:4737 0 AMB 25-1:4737 5.50 (# 4737:25 Double Ambig)
&rst
ixpk= 4737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2087,2088,2087,2088,
igr2=1816,1817,1816,1817,
&end
#
# 0 AMB 25-2:4738 0 AMB 25-1:4738 5.50 (# 4738:25 Double Ambig)
&rst
ixpk= 4738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1811,1843,1792,
igr2=1816,1817,1816,1817,1816,1817,1816,1817,
&end
#
# 0 AMB 25-2:4739 0 AMB 25-1:4739 5.50 (# 4739:25 Double Ambig)
&rst
ixpk= 4739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1834,1835,1834,1835,
igr2=1816,1817,1816,1817,
&end
#
# 118 PRO HD- 0 AMB 25-1:4740 5.50 (# 4740:25 Single Ambig)
&rst
ixpk= 4740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1834,1835,
igr2=1816,1817,1816,1817,
&end
#
# 0 AMB 25-2:4742 0 AMB 25-1:4742 4.50 (# 4742:25 Double Ambig)
&rst
ixpk= 4742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1837,1838,1837,1838,1762,1763,
igr2=1816,1817,1816,1817,1816,1817,
&end
#
# 117 ARG HB- 0 AMB 25-1:4743 3.50 (# 4743:25 Single Ambig)
&rst
ixpk= 4743, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1813,1814,
igr2=1816,1817,1816,1817,
&end
#
# 62 ARG HN 62 ARG HD- 5.50 (# 4745:25 Unique 1.87, 3.52 A)
&rst
ixpk= 4745, nxpk= 25, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:4746 62 ARG HD- 2.80 (# 4746:25 Single Ambig)
&rst
ixpk= 4746, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 952, 953, 952, 953,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:4747 62 ARG HD- 2.80 (# 4747:25 Single Ambig)
&rst
ixpk= 4747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 608, 609, 608, 609,
igr2= 958, 959,
&end
#
# 61 LEU MDX 62 ARG HD- 4.50 (# 4748:25 Unique 3.97, 7.15 A)
&rst
ixpk= 4748, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 938, 939, 940, 942, 943, 944,
igr2= 958, 959,
&end
#
# 0 AMB 25-2:4749 62 ARG HD- 4.50 (# 4749:25 Single Ambig)
&rst
ixpk= 4749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1411,1412,1413,1415,1416,1417,1411,1412,1413,1415,
1416,1417,
igr2= 958, 959,
&end
#
# 61 LEU HB- 62 ARG HD- 4.50 (# 4750:25 Unique 3.85, 5.91 A)
&rst
ixpk= 4750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 933, 934,
igr2= 958, 959,
&end
#
# 98 VAL HN 97 VAL HB 4.50 (# 4751:25 Unique 2.43, 2.70 A)
&rst
ixpk= 4751, nxpk= 25, iat=1537,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HN 97 VAL HB 4.50 (# 4752:25 Unique 2.84, 3.71 A)
&rst
ixpk= 4752, nxpk= 25, iat=1521,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HA 97 VAL HB 3.50 (# 4753:25 Unique 2.41, 2.57 A)
&rst
ixpk= 4753, nxpk= 25, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 VAL MGX 97 VAL HB 2.80 (# 4755:25 Unique 2.36, 2.65 A)
&rst
ixpk= 4755, nxpk= 25, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1527,1528,1529,1531,1532,1533,
&end
#
# 97 VAL MGY 97 VAL HB 2.80 (# 4756:25 Unique 2.36, 2.65 A)
&rst
ixpk= 4756, nxpk= 25, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1527,1528,1529,1531,1532,1533,
&end
#
# 0 AMB 25-2:4757 0 AMB 25-1:4757 5.50 (# 4757:25 Double Ambig)
&rst
ixpk= 4757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2153, 219,
igr2=2144,2145, 201, 202,
&end
#
# 0 AMB 25-2:4758 0 AMB 25-1:4758 4.50 (# 4758:25 Double Ambig)
&rst
ixpk= 4758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1736,1738,2104,
igr2= 201, 202,2144,2145,
&end
#
# 0 AMB 25-2:4759 14 PRO HB- 4.50 (# 4759:25 Single Ambig)
&rst
ixpk= 4759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 195, 196, 221, 222,
igr2= 201, 202,
&end
#
# 14 PRO HD- 14 PRO HB- 4.50 (# 4760:25 Unique 2.73, 3.68 A)
&rst
ixpk= 4760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 195, 196,
igr2= 201, 202,
&end
#
# 14 PRO HD- 14 PRO HB+ 5.50 (# 4761:25 Unique 2.73, 3.68 A)
&rst
ixpk= 4761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 195, 196,
igr2= 201, 202,
&end
#
# 0 AMB 25-2:4762 0 AMB 25-1:4762 4.50 (# 4762:25 Double Ambig)
&rst
ixpk= 4762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 195, 196, 221, 222,
igr2= 201, 202, 201, 202,
&end
#
# 148 GLU HN 147 ILE HB 5.50 (# 4769:25 Unique 3.69, 4.07 A)
&rst
ixpk= 4769, nxpk= 25, iat=2287,2272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 ILE HA 147 ILE HB 3.50 (# 4772:25 Unique 2.33, 2.45 A)
&rst
ixpk= 4772, nxpk= 25, iat=2270,2272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 ILE HG1- 147 ILE HB 3.50 (# 4773:25 Unique 2.27, 2.66 A)
&rst
ixpk= 4773, nxpk= 25, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2278,2279,
&end
#
# 147 ILE HG1+ 147 ILE HB 3.50 (# 4774:25 Unique 2.27, 2.66 A)
&rst
ixpk= 4774, nxpk= 25, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2278,2279,
&end
#
# 147 ILE QG2 147 ILE HB 2.80 (# 4775:25 Unique 2.36, 2.65 A)
&rst
ixpk= 4775, nxpk= 25, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2274,2275,2276,
&end
#
# 147 ILE QD1 147 ILE HB 3.50 (# 4776:25 Unique 2.40, 3.32 A)
&rst
ixpk= 4776, nxpk= 25, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2281,2282,2283,
&end
#
# 0 AMB 25-2:4777 147 ILE HB 4.50 (# 4777:25 Single Ambig)
&rst
ixpk= 4777, nxpk= 25, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1430,1431,1432,1434,1435,1436,1430,1431,1432,1434,
1435,1436,
&end
#
# 148 GLU HN 147 ILE HA 5.50 (# 4778:25 Unique 2.51, 3.26 A)
&rst
ixpk= 4778, nxpk= 25, iat=2287,2270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU HN 147 ILE HA 4.50 (# 4780:25 Unique 3.04, 3.28 A)
&rst
ixpk= 4780, nxpk= 25, iat=2324,2270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 ILE HB 147 ILE HA 3.50 (# 4781:25 Unique 2.33, 2.45 A)
&rst
ixpk= 4781, nxpk= 25, iat=2272,2270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4782 147 ILE HA 2.80 (# 4782:25 Single Ambig)
&rst
ixpk= 4782, nxpk= 25, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2328,2329,2278,2279,
&end
#
# 0 AMB 25-2:4783 147 ILE HA 2.80 (# 4783:25 Single Ambig)
&rst
ixpk= 4783, nxpk= 25, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2328,2329,2278,2279,
&end
#
# 147 ILE QG2 147 ILE HA 3.50 (# 4784:25 Unique 3.65, 3.97 A)
&rst
ixpk= 4784, nxpk= 25, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2274,2275,2276,
&end
#
# 147 ILE QD1 147 ILE HA 4.50 (# 4785:25 Unique 2.09, 3.54 A)
&rst
ixpk= 4785, nxpk= 25, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2281,2282,2283,
&end
#
# 150 LEU MDY 147 ILE HA 5.50 (# 4786:25 Unique 2.67, 4.95 A)
&rst
ixpk= 4786, nxpk= 25, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 150 LEU MDX 147 ILE HA 3.50 (# 4787:25 Unique 2.67, 4.95 A)
&rst
ixpk= 4787, nxpk= 25, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2333,2334,2335,2337,2338,2339,
&end
#
# 147 ILE HA 147 ILE HG1+ 4.50 (# 4789:25 Unique 2.20, 3.18 A)
&rst
ixpk= 4789, nxpk= 25, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2278,2279,
&end
#
# 0 AMB 25-2:4790 0 AMB 25-1:4790 3.50 (# 4790:25 Double Ambig)
&rst
ixpk= 4790, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2270,1136,
igr2=2278,2279,1144,1145,
&end
#
# 147 ILE HB 147 ILE HG1- 2.80 (# 4791:25 Unique 2.27, 2.66 A)
&rst
ixpk= 4791, nxpk= 25, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2278,2279,
&end
#
# 147 ILE HB 147 ILE HG1+ 3.50 (# 4792:25 Unique 2.27, 2.66 A)
&rst
ixpk= 4792, nxpk= 25, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2278,2279,
&end
#
# 0 AMB 25-2:4793 0 AMB 25-1:4793 2.80 (# 4793:25 Double Ambig)
&rst
ixpk= 4793, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1138, 453, 454,
igr2=1144,1145,2278,2279,
&end
#
# 35 LYS HB- 147 ILE HG1+ 2.80 (# 4794:25 Unique 2.27, 3.54 A)
&rst
ixpk= 4794, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 516, 517,
igr2=2278,2279,
&end
#
# 147 ILE QG2 147 ILE HG1- 2.80 (# 4795:25 Unique 2.34, 3.33 A)
&rst
ixpk= 4795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2274,2275,2276,
igr2=2278,2279,
&end
#
# 147 ILE QG2 147 ILE HG1+ 3.50 (# 4797:25 Unique 2.34, 3.33 A)
&rst
ixpk= 4797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2274,2275,2276,
igr2=2278,2279,
&end
#
# 0 AMB 25-2:4798 0 AMB 25-1:4798 2.80 (# 4798:25 Double Ambig)
&rst
ixpk= 4798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1140,1141,1142,1147,1148,1149,2281,2282,2283,
igr2=1144,1145,2278,2279,
&end
#
# 147 ILE QD1 147 ILE HG1+ 2.80 (# 4799:25 Unique 2.33, 2.65 A)
&rst
ixpk= 4799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2281,2282,2283,
igr2=2278,2279,
&end
#
# 91 LEU MDY 147 ILE HG1- 2.80 (# 4800:25 Unique 2.30, 4.67 A)
&rst
ixpk= 4800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1430,1431,1432,1434,1435,1436,
igr2=2278,2279,
&end
#
# 91 LEU MDY 147 ILE HG1+ 2.80 (# 4801:25 Unique 2.30, 4.67 A)
&rst
ixpk= 4801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1430,1431,1432,1434,1435,1436,
igr2=2278,2279,
&end
#
# 0 AMB 25-2:4802 31 ILE HG1- 5.50 (# 4802:25 Single Ambig)
&rst
ixpk= 4802, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 278,2254,
igr2= 453, 454,
&end
#
# 31 ILE HN 31 ILE HG1- 5.50 (# 4803:25 Unique 2.74, 3.34 A)
&rst
ixpk= 4803, nxpk= 25, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 32 ASP HN 31 ILE HG1- 5.50 (# 4804:25 Unique 4.46, 4.99 A)
&rst
ixpk= 4804, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 31 ILE HA 31 ILE HG1- 5.50 (# 4806:25 Unique 2.51, 3.08 A)
&rst
ixpk= 4806, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 0 AMB 25-2:4807 31 ILE HG1- 2.80 (# 4807:25 Single Ambig)
&rst
ixpk= 4807, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2244,2245,2246,2248,2249,2250, 449, 450, 451,
igr2= 453, 454,
&end
#
# 0 AMB 25-2:4808 0 AMB 25-1:4808 2.80 (# 4808:25 Double Ambig)
&rst
ixpk= 4808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2206,2207,2208, 456, 457, 458,
igr2=1861,1862, 453, 454,
&end
#
# 31 ILE QD1 31 ILE HG1+ 2.80 (# 4809:25 Unique 2.32, 2.65 A)
&rst
ixpk= 4809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 456, 457, 458,
igr2= 453, 454,
&end
#
# 0 AMB 25-2:4810 0 AMB 25-1:4810 2.80 (# 4810:25 Double Ambig)
&rst
ixpk= 4810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2244,2245,2246,2248,2249,2250, 449, 450, 451,
igr2= 453, 454, 453, 454,
&end
#
# 131 LEU HA 131 LEU HG 5.50 (# 4812:25 Unique 2.26, 2.78 A)
&rst
ixpk= 4812, nxpk= 25, iat=2028,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 THR HB 131 LEU HG 5.50 (# 4813:25 Unique 4.00, 5.93 A)
&rst
ixpk= 4813, nxpk= 25, iat=1980,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 THR HA 131 LEU HG 5.50 (# 4814:25 Unique 2.12, 3.88 A)
&rst
ixpk= 4814, nxpk= 25, iat=1978,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 LEU HB- 131 LEU HG 5.50 (# 4815:25 Unique 2.36, 2.77 A)
&rst
ixpk= 4815, nxpk= 25, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2030,2031,
&end
#
# 0 AMB 25-2:4816 131 LEU HG 2.80 (# 4816:25 Single Ambig)
&rst
ixpk= 4816, nxpk= 25, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2035,2036,2037,2039,2040,2041,2035,2036,2037,2039,
2040,2041,
&end
#
# 26 ASP HN 26 ASP HA 4.50 (# 4817:25 Unique 2.22, 2.86 A)
&rst
ixpk= 4817, nxpk= 25, iat= 373, 375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ASP HB+ 26 ASP HA 3.50 (# 4818:25 Unique 2.47, 2.76 A)
&rst
ixpk= 4818, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 377, 378,
&end
#
# 26 ASP HB- 26 ASP HA 4.50 (# 4819:25 Unique 2.47, 2.76 A)
&rst
ixpk= 4819, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 377, 378,
&end
#
# 23 THR MG2 26 ASP HA 4.50 (# 4820:25 Unique 3.32, 4.05 A)
&rst
ixpk= 4820, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 339, 340, 341,
&end
#
# 26 ASP HN 26 ASP HB+ 4.50 (# 4824:25 Unique 2.84, 3.22 A)
&rst
ixpk= 4824, nxpk= 25, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 377, 378,
&end
#
# 26 ASP HN 26 ASP HB- 3.50 (# 4825:25 Unique 2.84, 3.22 A)
&rst
ixpk= 4825, nxpk= 25, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 377, 378,
&end
#
# 27 GLU HN 26 ASP HB+ 5.50 (# 4826:25 Unique 2.96, 3.76 A)
&rst
ixpk= 4826, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 377, 378,
&end
#
# 27 GLU HN 26 ASP HB- 4.50 (# 4827:25 Unique 2.96, 3.76 A)
&rst
ixpk= 4827, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 377, 378,
&end
#
# 26 ASP HA 26 ASP HB+ 2.80 (# 4828:25 Unique 2.47, 2.76 A)
&rst
ixpk= 4828, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 377, 378,
&end
#
# 26 ASP HA 26 ASP HB- 2.80 (# 4829:25 Unique 2.47, 2.76 A)
&rst
ixpk= 4829, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 377, 378,
&end
#
# 20 LEU HG 20 LEU HB- 3.50 (# 4832:25 Unique 2.50, 2.80 A)
&rst
ixpk= 4832, nxpk= 25, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 20 LEU HG 20 LEU HB+ 3.50 (# 4833:25 Unique 2.50, 2.80 A)
&rst
ixpk= 4833, nxpk= 25, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283,
&end
#
# 20 LEU HN 20 LEU HG 5.50 (# 4834:25 Unique 4.28, 4.31 A)
&rst
ixpk= 4834, nxpk= 25, iat= 278, 285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HA 20 LEU HG 4.50 (# 4835:25 Unique 3.13, 3.21 A)
&rst
ixpk= 4835, nxpk= 25, iat= 280, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:4836 20 LEU HG 2.80 (# 4836:25 Single Ambig)
&rst
ixpk= 4836, nxpk= 25, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 287, 288, 289, 291, 292, 293, 287, 288, 289, 291,
292, 293,
&end
#
# 0 AMB 25-2:4837 24 LEU HG 4.50 (# 4837:25 Single Ambig)
&rst
ixpk= 4837, nxpk= 25, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 347,1091,
&end
#
# 22 PHE HE 24 LEU HG 5.50 (# 4839:25 Unique 2.31, 6.21 A)
&rst
ixpk= 4839, nxpk= 25, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 29 TYR HE 24 LEU HG 5.50 (# 4841:25 Unique 3.54, 5.68 A)
&rst
ixpk= 4841, nxpk= 25, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 425, 430,
&end
#
# 40 ARG HN 0 AMB 25-1:4842 5.50 (# 4842:25 Single Ambig)
&rst
ixpk= 4842, nxpk= 25, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 608, 609, 608, 609,
&end
#
# 125 THR HN 124 VAL HA 4.50 (# 4843:25 Unique 2.30, 2.45 A)
&rst
ixpk= 4843, nxpk= 25, iat=1932,1918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 VAL HN 124 VAL HA 4.50 (# 4844:25 Unique 2.85, 2.93 A)
&rst
ixpk= 4844, nxpk= 25, iat=1916,1918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 VAL HB 124 VAL HA 3.50 (# 4845:25 Unique 2.34, 2.51 A)
&rst
ixpk= 4845, nxpk= 25, iat=1920,1918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4846 124 VAL HA 2.80 (# 4846:25 Single Ambig)
&rst
ixpk= 4846, nxpk= 25, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1922,1923,1924,1926,1927,1928,1922,1923,1924,1926,
1927,1928,
&end
#
# 0 AMB 25-2:4847 58 VAL HA 5.50 (# 4847:25 Single Ambig)
&rst
ixpk= 4847, nxpk= 25, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 716, 717,1034,1035,
&end
#
# 155 GLU HN 159 LEU MDY 5.50 (# 4848:25 Unique 5.42, 7.87 A)
&rst
ixpk= 4848, nxpk= 25, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2472,2473,2474,2476,2477,2478,
&end
#
# 0 AMB 25-2:4849 0 AMB 25-1:4849 5.50 (# 4849:25 Double Ambig)
&rst
ixpk= 4849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1044, 856,2402,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 158 LEU HN 0 AMB 25-1:4850 4.50 (# 4850:25 Single Ambig)
&rst
ixpk= 4850, nxpk= 25, iat=2444, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 157 ALA HN 0 AMB 25-1:4851 5.50 (# 4851:25 Single Ambig)
&rst
ixpk= 4851, nxpk= 25, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 55 ILE HN 0 AMB 25-1:4852 5.50 (# 4852:25 Single Ambig)
&rst
ixpk= 4852, nxpk= 25, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 0 AMB 25-2:4853 0 AMB 25-1:4853 5.50 (# 4853:25 Double Ambig)
&rst
ixpk= 4853, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 880, 881, 880, 881,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 0 AMB 25-2:4854 0 AMB 25-1:4854 4.50 (# 4854:25 Double Ambig)
&rst
ixpk= 4854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2498,2499,2498,2499,2498,2499,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 158 LEU HA 0 AMB 25-1:4855 3.50 (# 4855:25 Single Ambig)
&rst
ixpk= 4855, nxpk= 25, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 0 AMB 25-2:4856 0 AMB 25-1:4856 4.50 (# 4856:25 Double Ambig)
&rst
ixpk= 4856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1= 186, 187, 186, 187,1034,1035,1034,1035,
igr2= 148, 149, 150, 152, 153, 154,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 0 AMB 25-2:4857 0 AMB 25-1:4857 3.50 (# 4857:25 Double Ambig)
&rst
ixpk= 4857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2391,2392,2391,2392,2391,2392,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 0 AMB 25-2:4858 0 AMB 25-1:4858 4.50 (# 4858:25 Double Ambig)
&rst
ixpk= 4858, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 121, 122,1541,
igr2= 148, 149, 150, 152, 153, 154,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 0 AMB 25-2:4859 0 AMB 25-1:4859 4.50 (# 4859:25 Double Ambig)
&rst
ixpk= 4859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 797, 798,2467,2468,2438,2439,2440,
igr2=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 0 AMB 25-2:4860 0 AMB 25-1:4860 3.50 (# 4860:25 Double Ambig)
&rst
ixpk= 4860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 162, 163, 164,2509,2510,2511,
igr2= 148, 149, 150, 152, 153, 154,2453,2454,2455,2457,
2458,2459,2453,2454,2455,2457,2458,2459,
&end
#
# 160 ASP HN 158 LEU HA 5.50 (# 4862:25 Unique 4.08, 4.45 A)
&rst
ixpk= 4862, nxpk= 25, iat=2482,2446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:4863 158 LEU HA 4.50 (# 4863:25 Single Ambig)
&rst
ixpk= 4863, nxpk= 25, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2494,2505,
&end
#
# 158 LEU HN 158 LEU HA 3.50 (# 4864:25 Unique 2.78, 2.82 A)
&rst
ixpk= 4864, nxpk= 25, iat=2444,2446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:4865 158 LEU HA 5.50 (# 4865:25 Single Ambig)
&rst
ixpk= 4865, nxpk= 25, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2498,2499,2498,2499,
&end
#
# 52 PRO HG- 158 LEU HA 4.50 (# 4867:25 Unique 3.40, 5.40 A)
&rst
ixpk= 4867, nxpk= 25, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 797, 798,
&end
#
# 0 AMB 25-2:4868 158 LEU HA 3.50 (# 4868:25 Single Ambig)
&rst
ixpk= 4868, nxpk= 25, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2453,2454,2455,2457,2458,2459,2453,2454,2455,2457,
2458,2459,
&end
#
# 25 GLY HN 0 AMB 25-1:4869 5.50 (# 4869:25 Single Ambig)
&rst
ixpk= 4869, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1615,1616,1615,1616,
&end
#
# 0 AMB 25-2:4870 0 AMB 25-1:4870 3.50 (# 4870:25 Double Ambig)
&rst
ixpk= 4870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1611,1267,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 0 AMB 25-2:4871 0 AMB 25-1:4871 5.50 (# 4871:25 Double Ambig)
&rst
ixpk= 4871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1623,1218,1219,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 0 AMB 25-2:4872 0 AMB 25-1:4872 3.50 (# 4872:25 Double Ambig)
&rst
ixpk= 4872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 349,1613,
igr2=1615,1616,1615,1616,1615,1616,
&end
#
# 136 ALA HN 136 ALA HA 3.50 (# 4873:25 Unique 2.93, 2.96 A)
&rst
ixpk= 4873, nxpk= 25, iat=2092,2094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 LEU HN 136 ALA HA 2.80 (# 4874:25 Unique 2.12, 2.23 A)
&rst
ixpk= 4874, nxpk= 25, iat=2102,2094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 132 THR HA 146 ASN HA 4.50 (# 4875:25 Unique 3.47, 4.06 A)
&rst
ixpk= 4875, nxpk= 25, iat=2047,2256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 ALA MB 136 ALA HA 2.80 (# 4876:25 Unique 2.43, 2.67 A)
&rst
ixpk= 4876, nxpk= 25, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2096,2097,2098,
&end
#
# 29 TYR HN 29 TYR HA 5.50 (# 4877:25 Unique 2.96, 2.97 A)
&rst
ixpk= 4877, nxpk= 25, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP HA 70 ASP HB- 5.50 (# 4878:25 Unique 2.29, 2.71 A)
&rst
ixpk= 4878, nxpk= 25, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
#
# 0 AMB 25-2:4879 70 ASP HB- 4.50 (# 4879:25 Single Ambig)
&rst
ixpk= 4879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1114,1115,1114,1115,1138,
igr2=1083,1084,
&end
#
# 0 AMB 25-2:4881 70 ASP HB- 4.50 (# 4881:25 Single Ambig)
&rst
ixpk= 4881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1147,1148,1149,1585,1586,1587,1589,1590,1591,1585,
1586,1587,1589,1590,1591,
igr2=1083,1084,
&end
#
# 70 ASP HN 70 ASP HB- 5.50 (# 4882:25 Unique 2.09, 2.94 A)
&rst
ixpk= 4882, nxpk= 25, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1083,1084,
&end
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