NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491273 |
2hf6   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 0 AMB 20-2:1 0 AMB 20-1:1 3.50 (# 1:20 Double Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
igr2=1208,1209,1208,1209,1208,1209,
&end
#
# 0 AMB 20-2:6 0 AMB 20-1:6 3.50 (# 6:20 Double Ambig)
&rst
ixpk= 6, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 273, 274, 275, 277, 278, 279, 311, 312, 313, 315,
316, 317, 311, 312, 313, 315, 316, 317,
igr2= 268, 269, 268, 269, 268, 269,
&end
#
# 0 AMB 20-2:8 17 LEU HB- 2.80 (# 8:20 Single Ambig)
&rst
ixpk= 8, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 273, 274, 275, 277, 278, 279, 311, 312, 313, 315,
316, 317, 311, 312, 313, 315, 316, 317,
igr2= 268, 269,
&end
#
# 120 GLY HN 0 AMB 20-1:9 2.80 (# 9:20 Single Ambig)
&rst
ixpk= 9, nxpk= 20, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1949,1950,1949,1950,
&end
#
# 121 LEU HN 0 AMB 20-1:10 4.50 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1949,1950,1949,1950,
&end
#
# 104 MET ME 0 AMB 20-1:11 4.50 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1676,1677,1678,
igr2=1949,1950,1949,1950,
&end
#
# 0 AMB 20-2:12 0 AMB 20-1:12 2.80 (# 12:20 Double Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,
igr2=1949,1950,1949,1950,1949,1950,
&end
#
# 64 GLY HN 64 GLY HA- 2.80 (# 13:20 Unique 2.25, 2.57 A)
&rst
ixpk= 13, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1038,1039,
&end
#
# 65 LEU HN 64 GLY HA- 4.50 (# 14:20 Unique 3.07, 3.34 A)
&rst
ixpk= 14, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1038,1039,
&end
#
# 0 AMB 20-2:16 64 GLY HA- 4.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
igr2=1038,1039,
&end
#
# 64 GLY HN 64 GLY HA+ 2.80 (# 17:20 Unique 2.25, 2.57 A)
&rst
ixpk= 17, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1038,1039,
&end
#
# 65 LEU HN 64 GLY HA+ 4.50 (# 18:20 Unique 3.07, 3.34 A)
&rst
ixpk= 18, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1038,1039,
&end
#
# 0 AMB 20-2:20 0 AMB 20-1:20 4.50 (# 20:20 Double Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
igr2=1038,1039,1038,1039,
&end
#
# 0 AMB 20-2:21 0 AMB 20-1:21 4.50 (# 21:20 Double Ambig)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 385, 386, 385, 386, 679, 680, 679, 680,
igr2= 388, 389, 388, 389, 388, 389,
&end
#
# 0 AMB 20-2:22 0 AMB 20-1:22 4.50 (# 22:20 Double Ambig)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 385, 386, 679, 680,
igr2= 388, 389, 388, 389,
&end
#
# 25 ARG HB+ 25 ARG HD- 4.50 (# 23:20 Unique 1.98, 2.94 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 382, 383,
igr2= 388, 389,
&end
#
# 0 AMB 20-2:24 25 ARG HD- 3.50 (# 24:20 Single Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 385, 386, 679, 680,
igr2= 388, 389,
&end
#
# 0 AMB 20-2:25 25 ARG HD- 4.50 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 385, 386, 679, 680,
igr2= 388, 389,
&end
#
# 28 ALA MB 25 ARG HD- 4.50 (# 26:20 Unique 2.47, 4.50 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447,
igr2= 388, 389,
&end
#
# 63 GLU HN 0 AMB 20-1:28 4.50 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1006,1007,1006,1007,
&end
#
# 62 LEU HN 0 AMB 20-1:29 3.50 (# 29:20 Single Ambig)
&rst
ixpk= 29, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1006,1007,1006,1007,
&end
#
# 62 LEU HA 0 AMB 20-1:30 2.80 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:31 0 AMB 20-1:31 4.50 (# 31:20 Double Ambig)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1025,1026,1028,1029,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:32 0 AMB 20-1:32 5.50 (# 32:20 Double Ambig)
&rst
ixpk= 32, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 829, 830, 829, 830,1047,1048,1047,1048,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 62 LEU HG 0 AMB 20-1:33 4.50 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:34 0 AMB 20-1:34 3.50 (# 34:20 Double Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,1052,1053,1054,1056,1057,1058,
igr2=1006,1007,1006,1007,1006,1007,1006,1007,
&end
#
# 62 LEU MDX 0 AMB 20-1:35 2.80 (# 35:20 Single Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1011,1012,1013,1015,1016,1017,
igr2=1006,1007,1006,1007,
&end
#
# 82 SER HN 81 GLY HA- 4.50 (# 37:20 Unique 2.20, 2.79 A)
&rst
ixpk= 37, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:38 81 GLY HA- 3.50 (# 38:20 Single Ambig)
&rst
ixpk= 38, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1459,1460,1461,1463,1464,1465,1459,1460,1461,1463,
1464,1465,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:41 0 AMB 20-1:41 4.50 (# 41:20 Double Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 361, 362, 361, 362,
&end
#
# 23 GLY HN 23 GLY HA- 4.50 (# 42:20 Unique 2.25, 2.68 A)
&rst
ixpk= 42, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 361, 362,
&end
#
# 81 GLY HN 81 GLY HA- 4.50 (# 44:20 Unique 2.38, 2.75 A)
&rst
ixpk= 44, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1322,1323,
&end
#
# 24 ASP HN 23 GLY HA+ 4.50 (# 46:20 Unique 2.59, 3.23 A)
&rst
ixpk= 46, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:47 23 GLY HA- 4.50 (# 47:20 Single Ambig)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:49 0 AMB 20-1:49 3.50 (# 49:20 Double Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 306, 307, 306, 307,
&end
#
# 0 AMB 20-2:50 19 LEU HB- 3.50 (# 50:20 Single Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 306, 307,
&end
#
# 0 AMB 20-2:51 0 AMB 20-1:51 3.50 (# 51:20 Double Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1052,1053,1054,1056,1057,1058,1082,1083,1084,1086,
1087,1088,
igr2=1047,1048,1047,1048,
&end
#
# 0 AMB 20-2:52 0 AMB 20-1:52 4.50 (# 52:20 Double Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1052,1053,1054,1056,1057,1058,1011,1012,1013,1015,
1016,1017,
igr2=1047,1048,1047,1048,
&end
#
# 66 THR HN 65 LEU HB- 4.50 (# 53:20 Unique 2.99, 4.28 A)
&rst
ixpk= 53, nxpk= 20, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1047,1048,
&end
#
# 65 LEU HN 65 LEU HB- 4.50 (# 54:20 Unique 2.52, 3.18 A)
&rst
ixpk= 54, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1047,1048,
&end
#
# 0 AMB 20-2:55 65 LEU HB- 4.50 (# 55:20 Single Ambig)
&rst
ixpk= 55, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1052,1053,1054,1056,1057,1058,1011,1012,1013,1015,
1016,1017,
igr2=1047,1048,
&end
#
# 65 LEU HN 65 LEU HB+ 4.50 (# 56:20 Unique 2.52, 3.18 A)
&rst
ixpk= 56, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1047,1048,
&end
#
# 65 LEU HA 65 LEU HB- 4.50 (# 58:20 Unique 2.27, 2.67 A)
&rst
ixpk= 58, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1047,1048,
&end
#
# 80 ILE QG2 65 LEU HB- 4.50 (# 60:20 Unique 2.28, 3.65 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1307,1308,1309,
igr2=1047,1048,
&end
#
# 0 AMB 20-2:62 0 AMB 20-1:62 4.50 (# 62:20 Double Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1926,1927,1928,2253,2254,2253,2254,
igr2= 425, 426,2325,2326,
&end
#
# 145 ARG HG- 145 ARG HD- 3.50 (# 63:20 Unique 2.27, 2.72 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2322,2323,
igr2=2325,2326,
&end
#
# 0 AMB 20-2:64 0 AMB 20-1:64 2.80 (# 64:20 Double Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 287, 293, 294,2322,2323,
igr2= 425, 426, 425, 426,2325,2326,
&end
#
# 27 PHE HD 27 PHE HB+ 3.50 (# 65:20 Unique 2.29, 3.05 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 429, 437,
igr2= 425, 426,
&end
#
# 27 PHE HA 27 PHE HB+ 4.50 (# 66:20 Unique 2.46, 2.81 A)
&rst
ixpk= 66, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:68 0 AMB 20-1:68 3.50 (# 68:20 Double Ambig)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 296, 297, 298,1963,1964,1965,1967,1968,1969,
igr2= 425, 426, 425, 426,
&end
#
# 0 AMB 20-2:69 0 AMB 20-1:69 2.80 (# 69:20 Double Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,
igr2=2104,2105,2104,2105,2104,2105,
&end
#
# 27 PHE HD 27 PHE HB- 3.50 (# 70:20 Unique 2.29, 3.05 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 429, 437,
igr2= 425, 426,
&end
#
# 27 PHE HA 27 PHE HB- 4.50 (# 71:20 Unique 2.46, 2.81 A)
&rst
ixpk= 71, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:73 27 PHE HB- 4.50 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 287, 293, 294,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:74 27 PHE HB- 3.50 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 296, 297, 298,1963,1964,1965,1967,1968,1969,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:75 0 AMB 20-1:75 4.50 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1701,1648,
igr2=1711,1712,1711,1712,
&end
#
# 130 ASP HN 0 AMB 20-1:76 4.50 (# 76:20 Single Ambig)
&rst
ixpk= 76, nxpk= 20, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2104,2105,2104,2105,
&end
#
# 130 ASP HA 0 AMB 20-1:77 3.50 (# 77:20 Single Ambig)
&rst
ixpk= 77, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2104,2105,2104,2105,
&end
#
# 0 AMB 20-2:78 0 AMB 20-1:78 2.80 (# 78:20 Double Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2317,1816,
igr2=2394,2395,2394,2395,1824,1825,1824,1825,
&end
#
# 0 AMB 20-2:79 0 AMB 20-1:79 2.80 (# 79:20 Double Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1705,1706,1705,1706,2388,2389,2388,2389,1818,1819,
1818,1819,
igr2=1711,1712,1711,1712,2394,2395,2394,2395,1824,1825,
1824,1825,
&end
#
# 0 AMB 20-2:80 0 AMB 20-1:80 2.80 (# 80:20 Double Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1705,1706,1821,1822,1821,1822,2322,2323,2322,2323,
igr2=1711,1712,1711,1712,1824,1825,1824,1825,2394,2395,
2394,2395,
&end
#
# 112 ARG HN 0 AMB 20-1:82 4.50 (# 82:20 Single Ambig)
&rst
ixpk= 82, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1824,1825,1824,1825,
&end
#
# 149 ARG HA 0 AMB 20-1:83 3.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2394,2395,2394,2395,
&end
#
# 146 VAL HA 0 AMB 20-1:84 4.50 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2394,2395,2394,2395,
&end
#
# 53 HIS HN 0 AMB 20-1:85 4.50 (# 85:20 Single Ambig)
&rst
ixpk= 85, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 888, 889, 888, 889,
&end
#
# 0 AMB 20-2:86 0 AMB 20-1:86 3.50 (# 86:20 Double Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 880, 827,
igr2= 888, 889, 888, 889, 888, 889,
&end
#
# 0 AMB 20-2:87 0 AMB 20-1:87 2.80 (# 87:20 Double Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 882, 883, 882, 883,
igr2= 888, 889, 888, 889,
&end
#
# 54 ARG HB- 0 AMB 20-1:88 2.80 (# 88:20 Single Ambig)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 882, 883,
igr2= 888, 889, 888, 889,
&end
#
# 0 AMB 20-2:89 0 AMB 20-1:89 2.80 (# 89:20 Double Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 885, 886, 885, 886,
igr2= 888, 889, 888, 889,
&end
#
# 54 ARG HG- 0 AMB 20-1:90 2.80 (# 90:20 Single Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 885, 886,
igr2= 888, 889, 888, 889,
&end
#
# 69 TYR HD 69 TYR HB- 4.50 (# 91:20 Unique 2.33, 3.06 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1116,1125,
igr2=1112,1113,
&end
#
# 69 TYR HD 69 TYR HB+ 4.50 (# 93:20 Unique 2.33, 3.06 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1116,1125,
igr2=1112,1113,
&end
#
# 135 LEU HN 135 LEU HB+ 4.50 (# 95:20 Unique 2.06, 3.09 A)
&rst
ixpk= 95, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2165,2166,
&end
#
# 135 LEU HA 135 LEU HB+ 3.50 (# 96:20 Unique 2.22, 2.63 A)
&rst
ixpk= 96, nxpk= 20, iat=2163, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2165,2166,
&end
#
# 0 AMB 20-2:97 0 AMB 20-1:97 2.80 (# 97:20 Double Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,
igr2=2165,2166,2165,2166,
&end
#
# 26 LEU HN 26 LEU HB+ 4.50 (# 98:20 Unique 2.07, 2.98 A)
&rst
ixpk= 98, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 406, 407,
&end
#
# 26 LEU HA 26 LEU HB+ 3.50 (# 99:20 Unique 2.34, 2.75 A)
&rst
ixpk= 99, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 406, 407,
&end
#
# 18 ILE QG2 26 LEU HB+ 4.50 (# 100:20 Unique 2.60, 4.52 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 289, 290, 291,
igr2= 406, 407,
&end
#
# 26 LEU HN 26 LEU HB- 3.50 (# 101:20 Unique 2.07, 2.98 A)
&rst
ixpk= 101, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 406, 407,
&end
#
# 0 AMB 20-2:102 0 AMB 20-1:102 4.50 (# 102:20 Double Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.46, r4= 8.96,
igr1=1926,1927,1928,2187,2188,2187,2188,2054,2055,2054,
2055,
igr2= 406, 407,2165,2166,
&end
#
# 18 ILE QG2 26 LEU HB- 3.50 (# 104:20 Unique 2.60, 4.52 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 289, 290, 291,
igr2= 406, 407,
&end
#
# 26 LEU HA 26 LEU HB- 3.50 (# 105:20 Unique 2.34, 2.75 A)
&rst
ixpk= 105, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 406, 407,
&end
#
# 27 PHE HN 26 LEU HB+ 3.50 (# 106:20 Unique 2.19, 2.99 A)
&rst
ixpk= 106, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 406, 407,
&end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 2.80 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,2345,2346,2347,2349,2350,2351,2345,2346,
2347,2349,2350,2351,
igr2=1997,1998,1997,1998,1997,1998,1997,1998,
&end
#
# 123 LEU HN 123 LEU HB+ 4.50 (# 108:20 Unique 2.14, 2.92 A)
&rst
ixpk= 108, nxpk= 20, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1997,1998,
&end
#
# 0 AMB 20-2:109 0 AMB 20-1:109 4.50 (# 109:20 Double Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1949,1950,1949,1950,
igr2=1997,1998,1997,1998,
&end
#
# 123 LEU HN 123 LEU HB- 4.50 (# 111:20 Unique 2.14, 2.92 A)
&rst
ixpk= 111, nxpk= 20, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1997,1998,
&end
#
# 115 LEU HA 115 LEU HB- 4.50 (# 113:20 Unique 2.20, 2.49 A)
&rst
ixpk= 113, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:114 123 LEU HB- 4.50 (# 114:20 Single Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1949,1950,1949,1950,
igr2=1997,1998,
&end
#
# 0 AMB 20-2:115 0 AMB 20-1:115 2.80 (# 115:20 Double Ambig)
&rst
ixpk= 115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417, 152, 153, 154, 156, 157, 158,1857,1858,
1859,1861,1862,1863,
igr2= 406, 407, 406, 407, 147, 148, 147, 148, 406, 407,
&end
#
# 0 AMB 20-2:116 0 AMB 20-1:116 2.80 (# 116:20 Double Ambig)
&rst
ixpk= 116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,2170,2171,2172,2174,2175,2176, 152, 153,
154, 156, 157, 158, 152, 153, 154, 156, 157, 158,
igr2= 406, 407,2165,2166, 147, 148, 147, 148, 147, 148,
&end
#
# 77 PHE HN 77 PHE HB+ 4.50 (# 117:20 Unique 1.95, 2.82 A)
&rst
ixpk= 117, nxpk= 20, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1248,1249,
&end
#
# 77 PHE HA 77 PHE HB+ 4.50 (# 118:20 Unique 2.40, 2.85 A)
&rst
ixpk= 118, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1248,1249,
&end
#
# 77 PHE HD 77 PHE HB+ 3.50 (# 119:20 Unique 2.30, 3.05 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1252,1260,
igr2=1248,1249,
&end
#
# 77 PHE HA 77 PHE HB- 4.50 (# 122:20 Unique 2.40, 2.85 A)
&rst
ixpk= 122, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:123 77 PHE HB- 2.80 (# 123:20 Single Ambig)
&rst
ixpk= 123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1136,1137,1139,1140,1521,1522,1523,1525,1526,1527,
1565,1566,1567,1569,1570,1571,1565,1566,1567,1569,
1570,1571,
igr2=1248,1249,
&end
#
# 77 PHE HN 77 PHE HB- 4.50 (# 124:20 Unique 1.95, 2.82 A)
&rst
ixpk= 124, nxpk= 20, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1248,1249,
&end
#
# 77 PHE HD 77 PHE HB- 4.50 (# 125:20 Unique 2.30, 3.05 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1252,1260,
igr2=1248,1249,
&end
#
# 123 LEU HA 123 LEU HB+ 4.50 (# 126:20 Unique 2.21, 2.60 A)
&rst
ixpk= 126, nxpk= 20, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1997,1998,
&end
#
# 0 AMB 20-2:127 0 AMB 20-1:127 2.80 (# 127:20 Double Ambig)
&rst
ixpk= 127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 162, 143,
igr2= 147, 148, 147, 148, 147, 148,
&end
#
# 10 LEU HA 0 AMB 20-1:128 2.80 (# 128:20 Single Ambig)
&rst
ixpk= 128, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 147, 148, 147, 148,
&end
#
# 10 LEU HA 0 AMB 20-1:129 2.80 (# 129:20 Single Ambig)
&rst
ixpk= 129, nxpk= 20, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 147, 148, 147, 148,
&end
#
# 0 AMB 20-2:130 29 LYS HE- 4.50 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 258, 259, 260, 445, 446, 447,2028,2029,2030,2032,
2033,2034,
igr2= 464, 465,
&end
#
# 29 LYS HD- 29 LYS HE- 2.80 (# 131:20 Unique 2.27, 2.73 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 461, 462,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:132 29 LYS HE- 2.80 (# 132:20 Single Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 458, 459, 458, 459,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:133 0 AMB 20-1:133 2.80 (# 133:20 Double Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 458, 459, 458, 459,
igr2= 464, 465, 464, 465,
&end
#
# 78 TYR HD 0 AMB 20-1:134 4.50 (# 134:20 Single Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1272,1281,
igr2=1268,1269,1227,1228,
&end
#
# 78 TYR HE 0 AMB 20-1:135 4.50 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1274,1279,
igr2=1227,1228,1227,1228,
&end
#
# 0 AMB 20-2:136 0 AMB 20-1:136 4.50 (# 136:20 Double Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279, 296, 297,
298,
igr2=1227,1228,1227,1228,1227,1228,1268,1269,1268,1269,
&end
#
# 76 TYR HD 0 AMB 20-1:137 3.50 (# 137:20 Single Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1231,1240,
igr2=1227,1228,1227,1228,
&end
#
# 78 TYR HD 78 TYR HB- 4.50 (# 138:20 Unique 2.31, 3.07 A)
&rst
ixpk= 138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1272,1281,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:139 0 AMB 20-1:139 4.50 (# 139:20 Double Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 296, 297, 298, 273, 274, 275, 277, 278, 279,
igr2=1248,1249,1268,1269,
&end
#
# 0 AMB 20-2:140 0 AMB 20-1:140 2.80 (# 140:20 Double Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 46, 103,
igr2= 50, 51, 50, 51, 88, 89, 88, 89,
&end
#
# 0 AMB 20-2:141 0 AMB 20-1:141 2.80 (# 141:20 Double Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 48, 86,
igr2= 50, 51, 50, 51, 88, 89, 88, 89,
&end
#
# 0 AMB 20-2:143 0 AMB 20-1:143 3.50 (# 143:20 Double Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 162, 143,
igr2= 147, 148, 147, 148, 147, 148,
&end
#
# 0 AMB 20-2:144 0 AMB 20-1:144 4.50 (# 144:20 Double Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 825, 767, 768,
igr2= 838, 839, 838, 839,
&end
#
# 0 AMB 20-2:145 0 AMB 20-1:145 5.50 (# 145:20 Double Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 820, 821, 767, 768,
igr2= 838, 839, 838, 839,
&end
#
# 51 LYS HA 51 LYS HE+ 5.50 (# 146:20 Unique 2.39, 4.38 A)
&rst
ixpk= 146, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 838, 839,
&end
#
# 0 AMB 20-2:147 51 LYS HE- 4.50 (# 147:20 Single Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 820, 821, 767, 768,
igr2= 838, 839,
&end
#
# 0 AMB 20-2:148 0 AMB 20-1:148 5.50 (# 148:20 Double Ambig)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 366, 333,
igr2= 351, 352, 351, 352,
&end
#
# 22 ASP HA 22 ASP HB+ 2.80 (# 149:20 Unique 2.37, 2.82 A)
&rst
ixpk= 149, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 351, 352,
&end
#
# 22 ASP HN 0 AMB 20-1:151 2.80 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 325, 326, 351, 352,
&end
#
# 23 GLY HN 0 AMB 20-1:152 4.50 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 351, 352, 325, 326,
&end
#
# 22 ASP HA 22 ASP HB- 2.80 (# 153:20 Unique 2.37, 2.82 A)
&rst
ixpk= 153, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 351, 352,
&end
#
# 16 ILE HN 16 ILE HB 4.50 (# 155:20 Unique 2.21, 2.46 A)
&rst
ixpk= 155, nxpk= 20, iat= 245, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 TYR HE 16 ILE HB 4.50 (# 156:20 Unique 2.81, 5.05 A)
&rst
ixpk= 156, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 504, 509,
&end
#
# 16 ILE QG2 16 ILE HB 2.80 (# 157:20 Unique 2.24, 2.64 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 251, 252, 253,
&end
#
# 0 AMB 20-2:158 0 AMB 20-1:158 4.50 (# 158:20 Double Ambig)
&rst
ixpk= 158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1038,1039,2386,2357,
igr2= 987, 988, 987, 988,2369,2370,2369,2370,2369,2370,
&end
#
# 115 LEU HN 115 LEU HB- 2.80 (# 159:20 Unique 1.98, 2.67 A)
&rst
ixpk= 159, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:160 0 AMB 20-1:160 3.50 (# 160:20 Double Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 333, 366,
igr2= 325, 326, 325, 326,
&end
#
# 0 AMB 20-2:161 0 AMB 20-1:161 2.80 (# 161:20 Double Ambig)
&rst
ixpk= 161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1876,1877,1878,1880,1881,1882,1011,1012,1013,1015,
1016,1017, 411, 412, 413, 415, 416, 417, 411, 412,
413, 415, 416, 417,
igr2=1805,1806, 838, 839,
&end
#
# 0 AMB 20-2:162 0 AMB 20-1:162 2.80 (# 162:20 Double Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 832, 833, 832, 833,1006,1007,1006,1007,1821,1822,
igr2= 838, 839, 838, 839, 838, 839, 838, 839,1805,1806,
&end
#
# 20 ASP HN 20 ASP HB- 4.50 (# 163:20 Unique 2.02, 2.84 A)
&rst
ixpk= 163, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:164 20 ASP HB- 2.80 (# 164:20 Single Ambig)
&rst
ixpk= 164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 333, 366,
igr2= 325, 326,
&end
#
# 20 ASP HA 20 ASP HB- 4.50 (# 165:20 Unique 2.26, 2.71 A)
&rst
ixpk= 165, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:167 20 ASP HB- 4.50 (# 167:20 Single Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1802,1803,1802,1803,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:168 20 ASP HB- 4.50 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:169 0 AMB 20-1:169 2.80 (# 169:20 Double Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2365,2384,
igr2=2369,2370,2369,2370,2369,2370,
&end
#
# 148 LEU HA 0 AMB 20-1:170 2.80 (# 170:20 Single Ambig)
&rst
ixpk= 170, nxpk= 20, iat=2367, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2369,2370,2369,2370,
&end
#
# 0 AMB 20-2:171 0 AMB 20-1:171 4.50 (# 171:20 Double Ambig)
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2317,1023,
igr2=2369,2370,2369,2370, 987, 988, 987, 988,
&end
#
# 0 AMB 20-2:172 0 AMB 20-1:172 2.80 (# 172:20 Double Ambig)
&rst
ixpk= 172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,2374,2375,2376,2378,2379,2380,2374,2375,
2376,2378,2379,2380,
igr2= 987, 988, 987, 988, 987, 988,2369,2370,2369,2370,
2369,2370,
&end
#
# 20 ASP HA 20 ASP HB+ 4.50 (# 173:20 Unique 2.26, 2.71 A)
&rst
ixpk= 173, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 138 ASP HA 138 ASP HB+ 4.50 (# 175:20 Unique 2.27, 2.75 A)
&rst
ixpk= 175, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2210,2211,
&end
#
# 0 AMB 20-2:177 0 AMB 20-1:177 3.50 (# 177:20 Double Ambig)
&rst
ixpk= 177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=2253,2254,2253,2254,1796,1797,2187,2188,2187,2188,
igr2=2210,2211,2210,2211,1805,1806,2210,2211,2210,2211,
&end
#
# 0 AMB 20-2:178 0 AMB 20-1:178 2.80 (# 178:20 Double Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 829, 830,1802,1803,1802,1803,
igr2= 838, 839,1805,1806,
&end
#
# 0 AMB 20-2:179 0 AMB 20-1:179 2.80 (# 179:20 Double Ambig)
&rst
ixpk= 179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1876,1877,1878,1880,1881,1882, 411, 412, 413, 415,
416, 417, 411, 412, 413, 415, 416, 417,
igr2=1805,1806,1805,1806,1805,1806,
&end
#
# 0 AMB 20-2:180 0 AMB 20-1:180 2.80 (# 180:20 Double Ambig)
&rst
ixpk= 180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 835, 836, 835, 836, 746, 747, 746, 747, 746, 747,
igr2= 838, 839, 749, 750, 749, 750, 749, 750,
&end
#
# 0 AMB 20-2:181 0 AMB 20-1:181 5.50 (# 181:20 Double Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 368,1064,
igr2= 749, 750, 749, 750, 838, 839,
&end
#
# 0 AMB 20-2:182 0 AMB 20-1:182 4.50 (# 182:20 Double Ambig)
&rst
ixpk= 182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 738, 671,
igr2= 749, 750, 749, 750, 749, 750,
&end
#
# 0 AMB 20-2:183 0 AMB 20-1:183 2.80 (# 183:20 Double Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 832, 833, 832, 833, 743, 744, 743, 744, 743, 744,
igr2= 838, 839, 749, 750, 749, 750, 749, 750,
&end
#
# 0 AMB 20-2:184 0 AMB 20-1:184 2.80 (# 184:20 Double Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 676, 677, 622, 623,
igr2= 682, 683, 682, 683,
&end
#
# 138 ASP HN 138 ASP HB- 4.50 (# 185:20 Unique 2.09, 3.05 A)
&rst
ixpk= 185, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2210,2211,
&end
#
# 0 AMB 20-2:186 138 ASP HB- 4.50 (# 186:20 Single Ambig)
&rst
ixpk= 186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2253,2254,2253,2254,2187,2188,2187,2188,
igr2=2210,2211,
&end
#
# 112 ARG HA 111 LYS HE+ 7.00 (# 187:20 Unique 2.06, 4.76 A)
&rst
ixpk= 187, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1805,1806,
&end
#
# 0 AMB 20-2:188 0 AMB 20-1:188 2.80 (# 188:20 Double Ambig)
&rst
ixpk= 188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1796,1797,1729,1730,1729,1730,
igr2=1805,1806,1738,1739,1738,1739,
&end
#
# 0 AMB 20-2:189 0 AMB 20-1:189 2.80 (# 189:20 Double Ambig)
&rst
ixpk= 189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1796,1797, 625, 626,1802,1803,1802,1803,1729,1730,
igr2=1805,1806, 628, 629, 628, 629,1805,1806,1805,1806,
1738,1739,1738,1739,
&end
#
# 0 AMB 20-2:190 0 AMB 20-1:190 2.80 (# 190:20 Double Ambig)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 835, 836, 835, 836, 746, 747, 746, 747, 746, 747,
igr2= 838, 839, 749, 750, 749, 750, 749, 750,
&end
#
# 0 AMB 20-2:191 0 AMB 20-1:191 2.80 (# 191:20 Double Ambig)
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 622, 623, 622, 623,1799,1800,
igr2= 628, 629, 628, 629,1805,1806,
&end
#
# 0 AMB 20-2:192 0 AMB 20-1:192 2.80 (# 192:20 Double Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 622, 623,1799,1800,1732,1733,1732,1733,1732,1733,
igr2= 628, 629, 628, 629,1805,1806,1738,1739,1738,1739,
1738,1739,
&end
#
# 0 AMB 20-2:193 0 AMB 20-1:193 4.50 (# 193:20 Double Ambig)
&rst
ixpk= 193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1727,1840, 813,
igr2=1738,1739,1738,1739,1738,1739, 838, 839,
&end
#
# 0 AMB 20-2:194 0 AMB 20-1:194 4.50 (# 194:20 Double Ambig)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 736, 359,
igr2= 749, 750, 749, 750,
&end
#
# 0 AMB 20-2:195 0 AMB 20-1:195 2.80 (# 195:20 Double Ambig)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 676, 677, 679, 680,
igr2= 682, 683, 682, 683,
&end
#
# 38 VAL MGX 42 LYS HE+ 3.50 (# 196:20 Unique 1.98, 5.22 A)
&rst
ixpk= 196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 605, 606, 607, 609, 610, 611,
igr2= 682, 683,
&end
#
# 0 AMB 20-2:197 42 LYS HE- 3.50 (# 197:20 Single Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 676, 677, 622, 623,
igr2= 682, 683,
&end
#
# 0 AMB 20-2:198 42 LYS HE- 3.50 (# 198:20 Single Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 673, 674, 673, 674,
igr2= 682, 683,
&end
#
# 38 VAL MGX 42 LYS HE- 2.80 (# 199:20 Unique 1.98, 5.22 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 605, 606, 607, 609, 610, 611,
igr2= 682, 683,
&end
#
# 138 ASP HA 138 ASP HB- 3.50 (# 200:20 Unique 2.27, 2.75 A)
&rst
ixpk= 200, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2210,2211,
&end
#
# 115 LEU HN 115 LEU HB+ 3.50 (# 201:20 Unique 1.98, 2.67 A)
&rst
ixpk= 201, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1871,1872,
&end
#
# 115 LEU HA 115 LEU HB+ 4.50 (# 202:20 Unique 2.20, 2.49 A)
&rst
ixpk= 202, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 112 ARG HA 115 LEU HB+ 4.50 (# 203:20 Unique 2.26, 3.34 A)
&rst
ixpk= 203, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:205 0 AMB 20-1:205 2.80 (# 205:20 Double Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 411, 412, 413, 415, 416, 417,1876,1877,1878,1880,
1881,1882,1876,1877,1878,1880,1881,1882,
igr2=1871,1872,1871,1872,1871,1872,
&end
#
# 114 LEU HN 114 LEU HB+ 2.80 (# 206:20 Unique 1.98, 2.49 A)
&rst
ixpk= 206, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1852,1853,
&end
#
# 114 LEU HA 114 LEU HB+ 2.80 (# 207:20 Unique 2.34, 2.78 A)
&rst
ixpk= 207, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1852,1853,
&end
#
# 111 LYS HA 114 LEU HB+ 4.50 (# 208:20 Unique 2.73, 3.39 A)
&rst
ixpk= 208, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1852,1853,
&end
#
# 109 VAL HB 114 LEU HB+ 5.50 (# 209:20 Unique 2.25, 5.62 A)
&rst
ixpk= 209, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1852,1853,
&end
#
# 61 LEU HN 0 AMB 20-1:211 2.80 (# 211:20 Single Ambig)
&rst
ixpk= 211, nxpk= 20, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 987, 988, 987, 988,
&end
#
# 61 LEU HA 0 AMB 20-1:212 2.80 (# 212:20 Single Ambig)
&rst
ixpk= 212, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 987, 988, 987, 988,
&end
#
# 112 ARG HA 115 LEU HB- 4.50 (# 213:20 Unique 2.26, 3.34 A)
&rst
ixpk= 213, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 114 LEU HN 114 LEU HB- 2.80 (# 215:20 Unique 1.98, 2.49 A)
&rst
ixpk= 215, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1852,1853,
&end
#
# 114 LEU HA 114 LEU HB- 3.50 (# 216:20 Unique 2.34, 2.78 A)
&rst
ixpk= 216, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1852,1853,
&end
#
# 0 AMB 20-2:218 0 AMB 20-1:218 3.50 (# 218:20 Double Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1556,1575,
igr2=1560,1561,1560,1561,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 3.50 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1565,1566,1567,1569,1570,1571,2075,2076,2075,2076,
1502,1503,1504,1506,1507,1508,
igr2=1560,1561,1560,1561,1560,1561,1560,1561,
&end
#
# 0 AMB 20-2:220 0 AMB 20-1:220 2.80 (# 220:20 Double Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
igr2=1852,1853,1852,1853,
&end
#
# 0 AMB 20-2:221 97 LEU HB- 3.50 (# 221:20 Single Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1556,1575,
igr2=1560,1561,
&end
#
# 33 ASP HN 32 ASP HB+ 4.50 (# 222:20 Unique 1.98, 2.98 A)
&rst
ixpk= 222, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 519, 520,
&end
#
# 32 ASP HA 32 ASP HB+ 2.80 (# 223:20 Unique 2.27, 2.76 A)
&rst
ixpk= 223, nxpk= 20, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:225 0 AMB 20-1:225 4.50 (# 225:20 Double Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1893,1894,1177,
igr2=1738,1739,1738,1739,1805,1806,1805,1806,
&end
#
# 33 ASP HN 32 ASP HB- 4.50 (# 226:20 Unique 1.98, 2.98 A)
&rst
ixpk= 226, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 519, 520,
&end
#
# 0 AMB 20-2:228 0 AMB 20-1:228 3.50 (# 228:20 Double Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2078,2079,2080,1627,1628,1629,1631,1632,1633,
igr2=1560,1561,1560,1561,
&end
#
# 94 LEU HA 94 LEU HB+ 4.50 (# 230:20 Unique 2.27, 2.65 A)
&rst
ixpk= 230, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 94 LEU MDX 94 LEU HB+ 3.50 (# 231:20 Unique 1.94, 3.26 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1521,1522,1523,1525,1526,1527,
igr2=1516,1517,
&end
#
# 94 LEU HN 94 LEU HB+ 4.50 (# 233:20 Unique 2.15, 2.48 A)
&rst
ixpk= 233, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 0 AMB 20-2:234 0 AMB 20-1:234 3.50 (# 234:20 Double Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1291,1292,1293,1295,1296,1297,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
igr2=1516,1517,1516,1517,1516,1517,
&end
#
# 0 AMB 20-2:235 0 AMB 20-1:235 4.50 (# 235:20 Double Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1452,1401,
igr2=1454,1455,1454,1455,
&end
#
# 0 AMB 20-2:237 0 AMB 20-1:237 2.80 (# 237:20 Double Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1291,1292,1293,1295,1296,1297,
igr2=1454,1455,1454,1455,1454,1455,
&end
#
# 101 LEU HN 101 LEU HB+ 4.50 (# 238:20 Unique 2.31, 3.09 A)
&rst
ixpk= 238, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1622,1623,
&end
#
# 109 VAL MGX 101 LEU HB+ 4.50 (# 239:20 Unique 1.97, 4.39 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1622,1623,
&end
#
# 94 LEU HN 94 LEU HB- 4.50 (# 240:20 Unique 2.15, 2.48 A)
&rst
ixpk= 240, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 101 LEU HA 101 LEU HB- 4.50 (# 243:20 Unique 2.24, 2.65 A)
&rst
ixpk= 243, nxpk= 20, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:244 101 LEU HB- 2.80 (# 244:20 Single Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1627,1628,1629,1631,1632,1633,1767,1768,
1769,1771,1772,1773,
igr2=1622,1623,
&end
#
# 101 LEU HN 101 LEU HB- 4.50 (# 245:20 Unique 2.31, 3.09 A)
&rst
ixpk= 245, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1622,1623,
&end
#
# 24 ASP HN 24 ASP HB+ 2.80 (# 246:20 Unique 2.06, 2.81 A)
&rst
ixpk= 246, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 370, 371,
&end
#
# 24 ASP HA 24 ASP HB+ 2.80 (# 247:20 Unique 2.53, 2.86 A)
&rst
ixpk= 247, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 370, 371,
&end
#
# 0 AMB 20-2:248 24 ASP HB- 4.50 (# 248:20 Single Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 347, 378,
igr2= 370, 371,
&end
#
# 24 ASP HA 24 ASP HB- 2.80 (# 249:20 Unique 2.53, 2.86 A)
&rst
ixpk= 249, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 370, 371,
&end
#
# 0 AMB 20-2:250 105 LEU HB- 3.50 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,
igr2=1686,1687,
&end
#
# 105 LEU HA 105 LEU HB+ 4.50 (# 252:20 Unique 2.20, 2.52 A)
&rst
ixpk= 252, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1686,1687,
&end
#
# 0 AMB 20-2:253 0 AMB 20-1:253 4.50 (# 253:20 Double Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1732,1733,1732,1733,
igr2=1686,1687,1686,1687,
&end
#
# 0 AMB 20-2:254 0 AMB 20-1:254 2.80 (# 254:20 Double Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,
igr2=1686,1687,1686,1687,1686,1687,
&end
#
# 0 AMB 20-2:255 105 LEU HB- 4.50 (# 255:20 Single Ambig)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1765,1729,1730,1890,1891,1669,1670,1669,1670,
igr2=1686,1687,
&end
#
# 105 LEU HN 105 LEU HB- 4.50 (# 256:20 Unique 2.10, 2.93 A)
&rst
ixpk= 256, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1686,1687,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 4.50 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 217, 218,1047,1048,1047,1048,
igr2= 226, 227, 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:258 0 AMB 20-1:258 2.80 (# 258:20 Double Ambig)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 220, 221, 220, 221, 220, 221, 223, 224, 223, 224,
223, 224,
igr2= 226, 227, 226, 227, 226, 227, 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:259 0 AMB 20-1:259 2.80 (# 259:20 Double Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 152, 153, 154, 156, 157, 158,1052,1053,1054,1056,
1057,1058,
igr2= 226, 227, 226, 227, 226, 227,
&end
#
# 88 LEU HN 88 LEU HB- 3.50 (# 260:20 Unique 2.33, 3.13 A)
&rst
ixpk= 260, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1418,1419,
&end
#
# 89 MET HN 88 LEU HB- 4.50 (# 261:20 Unique 2.20, 3.26 A)
&rst
ixpk= 261, nxpk= 20, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1418,1419,
&end
#
# 88 LEU HA 88 LEU HB- 3.50 (# 262:20 Unique 2.21, 2.68 A)
&rst
ixpk= 262, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1418,1419,
&end
#
# 0 AMB 20-2:264 88 LEU HB- 2.80 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1423,1424,1425,1427,1428,1429,1423,1424,1425,1427,
1428,1429,
igr2=1418,1419,
&end
#
# 60 ALA HN 59 ILE HB 5.50 (# 265:20 Unique 3.69, 4.02 A)
&rst
ixpk= 265, nxpk= 20, iat= 973, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HN 59 ILE HB 3.50 (# 266:20 Unique 2.16, 3.03 A)
&rst
ixpk= 266, nxpk= 20, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ILE HA 59 ILE HB 4.50 (# 267:20 Unique 2.60, 2.77 A)
&rst
ixpk= 267, nxpk= 20, iat= 956, 958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:268 0 AMB 20-1:268 2.80 (# 268:20 Double Ambig)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 967, 968, 969, 960, 961, 962,1857,1858,1859,1861,
1862,1863,
igr2= 958,1622,1623,
&end
#
# 88 LEU HN 88 LEU HB+ 3.50 (# 269:20 Unique 2.33, 3.13 A)
&rst
ixpk= 269, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1418,1419,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 4.50 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1910,1911,1433,
igr2=1686,1687,1418,1419,
&end
#
# 0 AMB 20-2:272 0 AMB 20-1:272 2.80 (# 272:20 Double Ambig)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1423,1424,1425,1427,1428,1429,1423,1424,1425,1427,
1428,1429,
igr2=1418,1419,1418,1419,
&end
#
# 0 AMB 20-2:273 0 AMB 20-1:273 2.80 (# 273:20 Double Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1684,1416,
igr2=1686,1687,1418,1419,
&end
#
# 65 LEU MDY 0 AMB 20-1:274 4.50 (# 274:20 Single Ambig)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1052,1053,1054,1056,1057,1058,
igr2= 226, 227, 226, 227,
&end
#
# 34 THR MG2 0 AMB 20-1:275 4.50 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 545, 546, 547,
igr2= 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:276 0 AMB 20-1:276 4.50 (# 276:20 Double Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1625,1676,1677,1678,
igr2=1958,1959,1958,1959,
&end
#
# 57 SER HN 56 ASP HB- 4.50 (# 277:20 Unique 2.60, 4.17 A)
&rst
ixpk= 277, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 920, 921,
&end
#
# 121 LEU HA 121 LEU HB- 4.50 (# 278:20 Unique 2.20, 2.48 A)
&rst
ixpk= 278, nxpk= 20, iat=1956, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:279 121 LEU HB- 3.50 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1565,1566,1567,1569,1570,1571,1565,1566,1567,1569,
1570,1571,1961,1857,1858,1859,1861,1862,1863,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:280 117 ASN HB- 5.50 (# 280:20 Single Ambig)
&rst
ixpk= 280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1672,1673,1922,1923,
igr2=1905,1906,
&end
#
# 121 LEU HN 121 LEU HB+ 3.50 (# 281:20 Unique 2.00, 2.73 A)
&rst
ixpk= 281, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1958,1959,
&end
#
# 121 LEU MDX 121 LEU HB+ 3.50 (# 283:20 Unique 2.12, 3.27 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1963,1964,1965,1967,1968,1969,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:284 0 AMB 20-1:284 5.50 (# 284:20 Double Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=1852,1853,1796,1797,1689,2225,2226,1729,1730,1802,
1803,1802,1803,
igr2=1142,1143,1142,1143,1142,1143,1142,1143,1142,1143,
1142,1143,1142,1143,
&end
#
# 0 AMB 20-2:286 0 AMB 20-1:286 2.80 (# 286:20 Double Ambig)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,1767,1768,
1769,1771,1772,1773,
igr2=1142,1143,1142,1143,1142,1143,
&end
#
# 0 AMB 20-2:288 70 LYS HE- 2.80 (# 288:20 Single Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,1767,1768,
1769,1771,1772,1773,
igr2=1142,1143,
&end
#
# 121 LEU HN 121 LEU HB- 3.50 (# 289:20 Unique 2.00, 2.73 A)
&rst
ixpk= 289, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1958,1959,
&end
#
# 121 LEU MDX 121 LEU HB- 3.50 (# 291:20 Unique 2.12, 3.27 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1963,1964,1965,1967,1968,1969,
igr2=1958,1959,
&end
#
# 127 GLU HN 0 AMB 20-1:292 4.50 (# 292:20 Single Ambig)
&rst
ixpk= 292, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2042,2043,2042,2043,
&end
#
# 0 AMB 20-2:293 0 AMB 20-1:293 2.80 (# 293:20 Double Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1660,1661,2038,
igr2=1599,1600,2042,2043,2042,2043,
&end
#
# 126 ASP HA 0 AMB 20-1:294 2.80 (# 294:20 Single Ambig)
&rst
ixpk= 294, nxpk= 20, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2042,2043,2042,2043,
&end
#
# 123 LEU HA 0 AMB 20-1:295 3.50 (# 295:20 Single Ambig)
&rst
ixpk= 295, nxpk= 20, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2042,2043,2042,2043,
&end
#
# 33 ASP HN 0 AMB 20-1:296 3.50 (# 296:20 Single Ambig)
&rst
ixpk= 296, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 531, 532, 531, 532,
&end
#
# 33 ASP HA 0 AMB 20-1:297 2.80 (# 297:20 Single Ambig)
&rst
ixpk= 297, nxpk= 20, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 531, 532, 531, 532,
&end
#
# 0 AMB 20-2:298 0 AMB 20-1:298 4.50 (# 298:20 Double Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 578, 579, 578, 579, 578, 579, 581, 582,1305,
igr2= 531, 532, 531, 532, 531, 532, 531, 532, 531, 532,
&end
#
# 27 PHE HB- 18 ILE HB 4.50 (# 299:20 Unique 1.93, 2.45 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 18 ILE QD1 18 ILE HB 3.50 (# 300:20 Unique 2.01, 3.28 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 296, 297, 298,
&end
#
# 18 ILE QG2 18 ILE HB 3.50 (# 301:20 Unique 2.21, 2.64 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 289, 290, 291,
&end
#
# 74 ASP HA 74 ASP HB+ 2.80 (# 302:20 Unique 2.43, 2.81 A)
&rst
ixpk= 302, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:303 0 AMB 20-1:303 4.50 (# 303:20 Double Ambig)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2222,2223,2057,2058,2057,2058,2054,2055,
igr2=1599,1600,2042,2043,2042,2043,
&end
#
# 99 ASP HN 99 ASP HB+ 4.50 (# 304:20 Unique 2.01, 2.70 A)
&rst
ixpk= 304, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1599,1600,
&end
#
# 0 AMB 20-2:305 0 AMB 20-1:305 3.50 (# 305:20 Double Ambig)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1597,2228,2052,
igr2=1599,1600,1599,1600,2042,2043,
&end
#
# 74 ASP HA 74 ASP HB- 2.80 (# 308:20 Unique 2.43, 2.81 A)
&rst
ixpk= 308, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1196,1197,
&end
#
# 99 ASP HN 99 ASP HB- 4.50 (# 311:20 Unique 2.01, 2.70 A)
&rst
ixpk= 311, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1599,1600,
&end
#
# 0 AMB 20-2:312 99 ASP HB- 3.50 (# 312:20 Single Ambig)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1597,2228,
igr2=1599,1600,
&end
#
# 80 ILE HG1+ 80 ILE HB 4.50 (# 313:20 Unique 2.23, 2.75 A)
&rst
ixpk= 313, nxpk= 20, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1311,1312,
&end
#
# 129 VAL HN 128 ILE HB 4.50 (# 314:20 Unique 2.15, 2.66 A)
&rst
ixpk= 314, nxpk= 20, iat=2084,2069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 ILE HN 128 ILE HB 3.50 (# 315:20 Unique 2.14, 2.37 A)
&rst
ixpk= 315, nxpk= 20, iat=2065,2069, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:316 128 ILE HB 3.50 (# 316:20 Single Ambig)
&rst
ixpk= 316, nxpk= 20, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2071,2072,2073,2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:317 128 ILE HB 2.80 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2078,2079,2080,2090,2091,2092,2094,2095,2096,2028,
2029,2030,2032,2033,2034,
&end
#
# 117 ASN HN 117 ASN HB+ 2.80 (# 318:20 Unique 2.40, 3.27 A)
&rst
ixpk= 318, nxpk= 20, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1905,1906,
&end
#
# 117 ASN HD2- 117 ASN HB+ 3.50 (# 319:20 Unique 2.10, 3.27 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1910,1911,
igr2=1905,1906,
&end
#
# 117 ASN HD2+ 117 ASN HB+ 4.50 (# 320:20 Unique 2.10, 3.27 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1910,1911,
igr2=1905,1906,
&end
#
# 117 ASN HA 117 ASN HB+ 2.80 (# 321:20 Unique 2.35, 2.58 A)
&rst
ixpk= 321, nxpk= 20, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1905,1906,
&end
#
# 0 AMB 20-2:322 0 AMB 20-1:322 4.50 (# 322:20 Double Ambig)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1850,1620,
igr2=1905,1906,1905,1906,
&end
#
# 0 AMB 20-2:324 0 AMB 20-1:324 4.50 (# 324:20 Double Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1676,1677,1678,1625,
igr2=1905,1906,1905,1906,
&end
#
# 0 AMB 20-2:325 0 AMB 20-1:325 2.80 (# 325:20 Double Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1627,1628,1629,1631,1632,1633,
igr2=1905,1906,1905,1906,1905,1906,
&end
#
# 139 PRO HG+ 99 ASP HB+ 4.50 (# 326:20 Unique 1.99, 4.30 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2222,2223,
igr2=1599,1600,
&end
#
# 117 ASN HN 117 ASN HB- 2.80 (# 327:20 Unique 2.40, 3.27 A)
&rst
ixpk= 327, nxpk= 20, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1905,1906,
&end
#
# 117 ASN HA 117 ASN HB- 2.80 (# 328:20 Unique 2.35, 2.58 A)
&rst
ixpk= 328, nxpk= 20, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1905,1906,
&end
#
# 117 ASN HD2- 117 ASN HB- 2.80 (# 330:20 Unique 2.10, 3.27 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1910,1911,
igr2=1905,1906,
&end
#
# 117 ASN HD2+ 117 ASN HB- 3.50 (# 331:20 Unique 2.10, 3.27 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1910,1911,
igr2=1905,1906,
&end
#
# 0 AMB 20-2:332 117 ASN HB- 5.50 (# 332:20 Single Ambig)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1850,1620,
igr2=1905,1906,
&end
#
# 80 ILE HN 80 ILE HB 4.50 (# 333:20 Unique 2.29, 2.51 A)
&rst
ixpk= 333, nxpk= 20, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ALA HN 80 ILE HB 4.50 (# 334:20 Unique 1.90, 2.47 A)
&rst
ixpk= 334, nxpk= 20, iat= 235,1305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:335 80 ILE HB 3.50 (# 335:20 Single Ambig)
&rst
ixpk= 335, nxpk= 20, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 217, 218,1311,1312, 220, 221, 220, 221,
&end
#
# 80 ILE QG2 80 ILE HB 3.50 (# 336:20 Unique 2.21, 2.64 A)
&rst
ixpk= 336, nxpk= 20, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1307,1308,1309,
&end
#
# 0 AMB 20-2:337 80 ILE HB 2.80 (# 337:20 Single Ambig)
&rst
ixpk= 337, nxpk= 20, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1314,1315,1316, 239, 240, 241,
&end
#
# 30 TYR HN 30 TYR HB+ 4.50 (# 338:20 Unique 2.04, 2.76 A)
&rst
ixpk= 338, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 477, 478,
&end
#
# 30 TYR HD 30 TYR HB+ 3.50 (# 339:20 Unique 2.31, 3.07 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 481, 490,
igr2= 477, 478,
&end
#
# 0 AMB 20-2:341 30 TYR HB- 3.50 (# 341:20 Single Ambig)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 473, 494,
igr2= 477, 478,
&end
#
# 30 TYR HD 30 TYR HB- 4.50 (# 342:20 Unique 2.31, 3.07 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 481, 490,
igr2= 477, 478,
&end
#
# 99 ASP HN 98 PHE HB+ 4.50 (# 344:20 Unique 2.09, 3.27 A)
&rst
ixpk= 344, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1579,1580,
&end
#
# 98 PHE HN 98 PHE HB+ 3.50 (# 345:20 Unique 2.03, 2.38 A)
&rst
ixpk= 345, nxpk= 20, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1579,1580,
&end
#
# 98 PHE HD 98 PHE HB+ 4.50 (# 346:20 Unique 2.29, 3.06 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1583,1591,
igr2=1579,1580,
&end
#
# 98 PHE HA 98 PHE HB+ 4.50 (# 347:20 Unique 2.36, 2.72 A)
&rst
ixpk= 347, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1579,1580,
&end
#
# 99 ASP HN 98 PHE HB- 5.50 (# 349:20 Unique 2.09, 3.27 A)
&rst
ixpk= 349, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1579,1580,
&end
#
# 98 PHE HN 98 PHE HB- 3.50 (# 350:20 Unique 2.03, 2.38 A)
&rst
ixpk= 350, nxpk= 20, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1579,1580,
&end
#
# 98 PHE HD 98 PHE HB- 4.50 (# 351:20 Unique 2.29, 3.06 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1583,1591,
igr2=1579,1580,
&end
#
# 98 PHE HA 98 PHE HB- 4.50 (# 352:20 Unique 2.36, 2.72 A)
&rst
ixpk= 352, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1579,1580,
&end
#
# 84 TYR HE 86 ASN HB+ 4.50 (# 353:20 Unique 1.99, 6.00 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1359,1364,
igr2=1389,1390,
&end
#
# 0 AMB 20-2:354 0 AMB 20-1:354 4.50 (# 354:20 Double Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 795, 796, 795, 796, 795, 796,
&end
#
# 49 PHE HD 0 AMB 20-1:355 3.50 (# 355:20 Single Ambig)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 799, 807,
igr2= 795, 796, 795, 796,
&end
#
# 13 VAL MGX 31 TYR HB+ 4.50 (# 356:20 Unique 3.09, 6.21 A)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 203, 204, 205, 207, 208, 209,
igr2= 498, 499,
&end
#
# 86 ASN HN 86 ASN HB- 4.50 (# 357:20 Unique 2.26, 3.56 A)
&rst
ixpk= 357, nxpk= 20, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1389,1390,
&end
#
# 86 ASN HD2- 86 ASN HB- 4.50 (# 358:20 Unique 2.10, 3.37 A)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1394,1395,
igr2=1389,1390,
&end
#
# 86 ASN HA 86 ASN HB- 3.50 (# 359:20 Unique 2.29, 2.54 A)
&rst
ixpk= 359, nxpk= 20, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1389,1390,
&end
#
# 86 ASN HN 86 ASN HB+ 4.50 (# 360:20 Unique 2.26, 3.56 A)
&rst
ixpk= 360, nxpk= 20, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1389,1390,
&end
#
# 86 ASN HD2- 86 ASN HB+ 4.50 (# 361:20 Unique 2.10, 3.37 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1394,1395,
igr2=1389,1390,
&end
#
# 0 AMB 20-2:362 31 TYR HB- 3.50 (# 362:20 Single Ambig)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 496, 215,
igr2= 498, 499,
&end
#
# 5 ILE HG1+ 5 ILE HB 2.80 (# 363:20 Unique 2.32, 2.75 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 75, 76,
&end
#
# 5 ILE HG1- 5 ILE HB 3.50 (# 364:20 Unique 2.32, 2.75 A)
&rst
ixpk= 364, nxpk= 20, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 75, 76,
&end
#
# 21 ASN HD2- 21 ASN HB+ 4.50 (# 365:20 Unique 2.10, 3.21 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 342, 343,
igr2= 337, 338,
&end
#
# 51 LYS HN 50 ASN HB+ 3.50 (# 366:20 Unique 2.18, 3.37 A)
&rst
ixpk= 366, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 815, 816,
&end
#
# 50 ASN HD2- 50 ASN HB+ 4.50 (# 367:20 Unique 2.10, 3.34 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 820, 821,
igr2= 815, 816,
&end
#
# 44 PHE HN 44 PHE HB+ 3.50 (# 368:20 Unique 2.13, 2.36 A)
&rst
ixpk= 368, nxpk= 20, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 705, 706,
&end
#
# 44 PHE HD 44 PHE HB+ 3.50 (# 369:20 Unique 2.29, 3.05 A)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 709, 717,
igr2= 705, 706,
&end
#
# 74 ASP HA 21 ASN HB- 5.50 (# 371:20 Unique 2.38, 3.68 A)
&rst
ixpk= 371, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:373 0 AMB 20-1:373 5.50 (# 373:20 Double Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 736, 359,
igr2= 762, 763, 762, 763, 337, 338,
&end
#
# 0 AMB 20-2:374 0 AMB 20-1:374 3.50 (# 374:20 Double Ambig)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 767, 768, 767, 768,1231,1240,
igr2= 762, 763, 762, 763, 337, 338,
&end
#
# 47 ASN HA 0 AMB 20-1:375 2.80 (# 375:20 Single Ambig)
&rst
ixpk= 375, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 762, 763, 762, 763,
&end
#
# 48 ILE HN 0 AMB 20-1:376 2.80 (# 376:20 Single Ambig)
&rst
ixpk= 376, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 762, 763, 762, 763,
&end
#
# 46 LYS HN 0 AMB 20-1:377 4.50 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 762, 763, 762, 763, 815, 816,
&end
#
# 0 AMB 20-2:378 0 AMB 20-1:378 2.80 (# 378:20 Double Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 767, 768, 758,
igr2= 762, 763, 762, 763, 762, 763,
&end
#
# 47 ASN HA 0 AMB 20-1:379 2.80 (# 379:20 Single Ambig)
&rst
ixpk= 379, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 815, 816, 762, 763, 762, 763,
&end
#
# 0 AMB 20-2:380 0 AMB 20-1:380 4.50 (# 380:20 Double Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 811, 494, 791,
igr2= 795, 796, 795, 796, 498, 499, 795, 796,
&end
#
# 50 ASN HA 50 ASN HB- 2.80 (# 381:20 Unique 2.29, 2.78 A)
&rst
ixpk= 381, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 815, 816,
&end
#
# 113 ALA MB 108 ASN HB- 4.50 (# 383:20 Unique 2.41, 5.08 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1842,1843,1844,
igr2=1751,1752,
&end
#
# 0 AMB 20-2:384 0 AMB 20-1:384 3.50 (# 384:20 Double Ambig)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 832, 833, 832, 833, 832, 833, 832, 833,1006,1007,
1006,1007,1006,1007,
igr2= 762, 763, 762, 763, 762, 763, 815, 816, 762, 763,
762, 763,
&end
#
# 108 ASN HN 108 ASN HB- 3.50 (# 385:20 Unique 2.15, 3.08 A)
&rst
ixpk= 385, nxpk= 20, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1751,1752,
&end
#
# 108 ASN HD2- 108 ASN HB- 4.50 (# 386:20 Unique 2.10, 3.29 A)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1756,1757,
igr2=1751,1752,
&end
#
# 108 ASN HA 108 ASN HB- 3.50 (# 387:20 Unique 2.29, 2.65 A)
&rst
ixpk= 387, nxpk= 20, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1751,1752,
&end
#
# 73 ILE QD1 108 ASN HB- 4.50 (# 388:20 Unique 2.00, 5.21 A)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1186,1187,1188,
igr2=1751,1752,
&end
#
# 109 VAL HN 108 ASN HB+ 4.50 (# 389:20 Unique 1.68, 3.54 A)
&rst
ixpk= 389, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1751,1752,
&end
#
# 108 ASN HN 108 ASN HB+ 4.50 (# 390:20 Unique 2.15, 3.08 A)
&rst
ixpk= 390, nxpk= 20, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1751,1752,
&end
#
# 108 ASN HA 108 ASN HB+ 3.50 (# 391:20 Unique 2.29, 2.65 A)
&rst
ixpk= 391, nxpk= 20, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1751,1752,
&end
#
# 73 ILE QD1 108 ASN HB+ 5.50 (# 392:20 Unique 2.00, 5.21 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1186,1187,1188,
igr2=1751,1752,
&end
#
# 108 ASN HD2- 108 ASN HB+ 4.50 (# 393:20 Unique 2.10, 3.29 A)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1756,1757,
igr2=1751,1752,
&end
#
# 44 PHE HD 44 PHE HB- 3.50 (# 394:20 Unique 2.29, 3.05 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 709, 717,
igr2= 705, 706,
&end
#
# 44 PHE HA 44 PHE HB- 4.50 (# 395:20 Unique 2.45, 2.79 A)
&rst
ixpk= 395, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 705, 706,
&end
#
# 35 TYR HD 35 TYR HB+ 3.50 (# 397:20 Unique 2.31, 3.07 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 561, 570,
igr2= 557, 558,
&end
#
# 0 AMB 20-2:398 35 TYR HB- 4.50 (# 398:20 Single Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 654, 543,
igr2= 557, 558,
&end
#
# 35 TYR HD 35 TYR HB- 4.50 (# 399:20 Unique 2.31, 3.07 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 561, 570,
igr2= 557, 558,
&end
#
# 5 ILE HA 5 ILE HB 4.50 (# 400:20 Unique 2.99, 3.01 A)
&rst
ixpk= 400, nxpk= 20, iat= 67, 69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:401 5 ILE HB 2.80 (# 401:20 Single Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 78, 79, 80, 71, 72, 73, 55, 56, 57, 59,
60, 61, 55, 56, 57, 59, 60, 61,
&end
#
# 0 AMB 20-2:402 0 AMB 20-1:402 4.50 (# 402:20 Double Ambig)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2000,1936,1937,1936,1937,1936,1937,1997,1998,
igr2=1977,1978,1977,1978,1977,1978,1977,1978,1977,1978,
&end
#
# 122 PHE HN 0 AMB 20-1:403 2.80 (# 403:20 Single Ambig)
&rst
ixpk= 403, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1977,1978,1977,1978,
&end
#
# 123 LEU HN 0 AMB 20-1:404 3.50 (# 404:20 Single Ambig)
&rst
ixpk= 404, nxpk= 20, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1977,1978,1977,1978,
&end
#
# 122 PHE HD 0 AMB 20-1:405 3.50 (# 405:20 Single Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1981,1989,
igr2=1977,1978,1977,1978,
&end
#
# 122 PHE HA 0 AMB 20-1:406 2.80 (# 406:20 Single Ambig)
&rst
ixpk= 406, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1977,1978,1977,1978,
&end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 4.50 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1=1961,2002,2003,2004,2006,2007,2008,2002,2003,2004,
2006,2007,2008,
igr2=1977,1978,1977,1978,1977,1978,1977,1978,
&end
#
# 21 ASN HN 21 ASN HB+ 4.50 (# 408:20 Unique 2.11, 3.15 A)
&rst
ixpk= 408, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 337, 338,
&end
#
# 76 TYR HD 21 ASN HB+ 3.50 (# 409:20 Unique 2.48, 5.61 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1231,1240,
igr2= 337, 338,
&end
#
# 21 ASN HA 21 ASN HB+ 2.80 (# 410:20 Unique 2.35, 2.60 A)
&rst
ixpk= 410, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 337, 338,
&end
#
# 50 ASN HN 50 ASN HB+ 2.80 (# 412:20 Unique 2.05, 2.52 A)
&rst
ixpk= 412, nxpk= 20, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 815, 816,
&end
#
# 50 ASN HA 50 ASN HB+ 2.80 (# 413:20 Unique 2.29, 2.78 A)
&rst
ixpk= 413, nxpk= 20, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 815, 816,
&end
#
# 0 AMB 20-2:415 0 AMB 20-1:415 4.50 (# 415:20 Double Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 832, 833, 832, 833, 743, 744,
igr2= 815, 816, 815, 816, 815, 816,
&end
#
# 0 AMB 20-2:416 0 AMB 20-1:416 3.50 (# 416:20 Double Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 162, 333,
igr2= 166, 167, 337, 338,
&end
#
# 21 ASN HA 21 ASN HB- 2.80 (# 417:20 Unique 2.35, 2.60 A)
&rst
ixpk= 417, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 337, 338,
&end
#
# 50 ASN HD2- 50 ASN HB- 3.50 (# 419:20 Unique 2.10, 3.34 A)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 820, 821,
igr2= 815, 816,
&end
#
# 109 VAL HN 108 ASN HB- 4.50 (# 420:20 Unique 1.68, 3.54 A)
&rst
ixpk= 420, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1751,1752,
&end
#
# 44 PHE HN 44 PHE HB- 3.50 (# 421:20 Unique 2.13, 2.36 A)
&rst
ixpk= 421, nxpk= 20, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 705, 706,
&end
#
# 11 TYR HN 11 TYR HB+ 4.50 (# 422:20 Unique 1.95, 3.12 A)
&rst
ixpk= 422, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:424 11 TYR HB- 3.50 (# 424:20 Single Ambig)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 170, 179,1357,1366,
igr2= 166, 167,
&end
#
# 134 ILE HN 134 ILE HB 5.50 (# 425:20 Unique 2.36, 3.56 A)
&rst
ixpk= 425, nxpk= 20, iat=2142,2146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 VAL MGY 134 ILE HB 5.50 (# 426:20 Unique 2.08, 4.85 A)
&rst
ixpk= 426, nxpk= 20, iat= -1,2146, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1502,1503,1504,1506,1507,1508,
&end
#
# 84 TYR HN 0 AMB 20-1:427 4.50 (# 427:20 Single Ambig)
&rst
ixpk= 427, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1353,1354, 166, 167,
&end
#
# 0 AMB 20-2:428 0 AMB 20-1:428 2.80 (# 428:20 Double Ambig)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 170, 179,1357,1366,
igr2= 166, 167,1353,1354, 166, 167,
&end
#
# 84 TYR HA 84 TYR HB- 2.80 (# 429:20 Unique 2.32, 2.54 A)
&rst
ixpk= 429, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1353,1354,
&end
#
# 84 TYR HN 84 TYR HB+ 4.50 (# 430:20 Unique 2.15, 3.23 A)
&rst
ixpk= 430, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1353,1354,
&end
#
# 84 TYR HA 84 TYR HB+ 2.80 (# 431:20 Unique 2.32, 2.54 A)
&rst
ixpk= 431, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1353,1354,
&end
#
# 95 ASN HN 0 AMB 20-1:432 2.80 (# 432:20 Single Ambig)
&rst
ixpk= 432, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1535,1536,1535,1536,
&end
#
# 0 AMB 20-2:433 134 ILE HB 2.80 (# 433:20 Single Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1,2146, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2155,2156,2157,2090,2091,2092,2094,2095,2096,2148,
2149,2150,
&end
#
# 84 TYR HD 84 TYR HB+ 2.80 (# 434:20 Unique 2.32, 3.07 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1357,1366,
igr2=1353,1354,
&end
#
# 40 GLU HN 40 GLU HG+ 4.50 (# 435:20 Unique 2.39, 3.14 A)
&rst
ixpk= 435, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 644, 645,
&end
#
# 35 TYR HD 40 GLU HG+ 4.50 (# 436:20 Unique 3.08, 6.22 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 561, 570,
igr2= 644, 645,
&end
#
# 40 GLU HA 40 GLU HG+ 3.50 (# 437:20 Unique 2.17, 3.09 A)
&rst
ixpk= 437, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 644, 645,
&end
#
# 36 PRO HD- 40 GLU HG+ 4.50 (# 438:20 Unique 3.21, 5.18 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 575, 576,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:440 40 GLU HG- 4.50 (# 440:20 Single Ambig)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 652, 615,
igr2= 644, 645,
&end
#
# 40 GLU HN 40 GLU HG- 3.50 (# 441:20 Unique 2.39, 3.14 A)
&rst
ixpk= 441, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 644, 645,
&end
#
# 40 GLU HA 40 GLU HG- 3.50 (# 442:20 Unique 2.17, 3.09 A)
&rst
ixpk= 442, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 644, 645,
&end
#
# 0 AMB 20-2:444 40 GLU HG- 4.50 (# 444:20 Single Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 622, 623, 695, 696, 697, 676, 677,
igr2= 644, 645,
&end
#
# 142 VAL MGX 0 AMB 20-1:445 4.50 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2272,2273,2274,2276,2277,2278,
igr2=2187,2188,2187,2188,
&end
#
# 0 AMB 20-2:446 45 GLU HG- 3.50 (# 446:20 Single Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 273, 274, 275, 277, 278, 279, 311, 312, 313, 315,
316, 317, 311, 312, 313, 315, 316, 317,
igr2= 728, 729,
&end
#
# 119 GLU HN 0 AMB 20-1:447 3.50 (# 447:20 Single Ambig)
&rst
ixpk= 447, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:448 0 AMB 20-1:448 2.80 (# 448:20 Double Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,
igr2=1939,1940,1939,1940,1939,1940,
&end
#
# 120 GLY HN 0 AMB 20-1:449 3.50 (# 449:20 Single Ambig)
&rst
ixpk= 449, nxpk= 20, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:450 0 AMB 20-1:450 4.50 (# 450:20 Double Ambig)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1981,1989,1954,1983,1987,
igr2=1939,1940,1939,1940,1939,1940,
&end
#
# 71 SER HN 70 LYS HB+ 4.50 (# 451:20 Unique 2.36, 3.66 A)
&rst
ixpk= 451, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1133,1134,
&end
#
# 70 LYS HA 70 LYS HB+ 3.50 (# 452:20 Unique 2.22, 2.50 A)
&rst
ixpk= 452, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:454 0 AMB 20-1:454 3.50 (# 454:20 Double Ambig)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,
igr2=1133,1134,1133,1134,
&end
#
# 71 SER HN 70 LYS HB- 4.50 (# 455:20 Unique 2.36, 3.66 A)
&rst
ixpk= 455, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1133,1134,
&end
#
# 70 LYS HA 70 LYS HB- 3.50 (# 456:20 Unique 2.22, 2.50 A)
&rst
ixpk= 456, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:458 70 LYS HB- 3.50 (# 458:20 Single Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:459 0 AMB 20-1:459 2.80 (# 459:20 Double Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1023,1934,
igr2=1028,1029,1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:460 116 GLU HG- 4.50 (# 460:20 Single Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1821,1822,1818,1819,
igr2=1893,1894,
&end
#
# 117 ASN HN 116 GLU HG- 5.50 (# 461:20 Unique 1.95, 4.30 A)
&rst
ixpk= 461, nxpk= 20, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1893,1894,
&end
#
# 0 AMB 20-2:462 0 AMB 20-1:462 4.50 (# 462:20 Double Ambig)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1949,1950,1949,1950,1949,1950,
igr2=1939,1940,1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:463 0 AMB 20-1:463 2.80 (# 463:20 Double Ambig)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1936,1937,1936,1937,1936,1937,
igr2=1939,1940,1939,1940,1939,1940,
&end
#
# 117 ASN HN 116 GLU HG+ 4.50 (# 464:20 Unique 1.95, 4.30 A)
&rst
ixpk= 464, nxpk= 20, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1893,1894,
&end
#
# 0 AMB 20-2:466 0 AMB 20-1:466 2.80 (# 466:20 Double Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1886,1910,1911,
igr2=1893,1894,1893,1894,
&end
#
# 0 AMB 20-2:467 0 AMB 20-1:467 2.80 (# 467:20 Double Ambig)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1840,1888,
igr2=1893,1894,1893,1894,
&end
#
# 86 ASN HN 0 AMB 20-1:468 4.50 (# 468:20 Single Ambig)
&rst
ixpk= 468, nxpk= 20, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1377,1378,1377,1378,
&end
#
# 85 GLU HN 0 AMB 20-1:469 4.50 (# 469:20 Single Ambig)
&rst
ixpk= 469, nxpk= 20, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1377,1378,1377,1378,
&end
#
# 85 GLU HA 0 AMB 20-1:470 3.50 (# 470:20 Single Ambig)
&rst
ixpk= 470, nxpk= 20, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1377,1378,1377,1378,
&end
#
# 0 AMB 20-2:471 0 AMB 20-1:471 2.80 (# 471:20 Double Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1374,1375,1374,1375,1374,1375,
igr2=1377,1378,1377,1378,1377,1378,
&end
#
# 5 ILE HG1- 0 AMB 20-1:473 4.50 (# 473:20 Single Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 75, 76,
igr2=1377,1378,1377,1378,
&end
#
# 0 AMB 20-2:474 0 AMB 20-1:474 2.80 (# 474:20 Double Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 78, 79, 80, 55, 56, 57, 59, 60, 61, 71,
72, 73,
igr2=1377,1378,1377,1378,1377,1378,1377,1378,
&end
#
# 0 AMB 20-2:475 0 AMB 20-1:475 5.50 (# 475:20 Double Ambig)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1389,1390,1389,1390,1389,1390,
igr2=1377,1378,1377,1378,1377,1378,
&end
#
# 63 GLU HN 63 GLU HG+ 4.50 (# 476:20 Unique 2.78, 3.78 A)
&rst
ixpk= 476, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:477 0 AMB 20-1:477 3.50 (# 477:20 Double Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1821,1822,1842,1843,1844,1006,1007,
igr2=1893,1894,1028,1029,
&end
#
# 0 AMB 20-2:478 116 GLU HG- 3.50 (# 478:20 Single Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1886,1910,1911,
igr2=1893,1894,
&end
#
# 0 AMB 20-2:479 0 AMB 20-1:479 2.80 (# 479:20 Double Ambig)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1840, 23,1888,
igr2=1893,1894, 28, 29, 28, 29,
&end
#
# 63 GLU HN 63 GLU HG- 4.50 (# 481:20 Unique 2.78, 3.78 A)
&rst
ixpk= 481, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1028,1029,
&end
#
# 63 GLU HA 63 GLU HG- 4.50 (# 482:20 Unique 1.96, 2.69 A)
&rst
ixpk= 482, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:483 63 GLU HG- 3.50 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1006,1007,1006,1007, 832, 833,
igr2=1028,1029,
&end
#
# 59 ILE HN 58 GLU HG- 5.50 (# 484:20 Unique 1.93, 3.12 A)
&rst
ixpk= 484, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 58 GLU HN 58 GLU HG+ 4.50 (# 485:20 Unique 1.99, 3.26 A)
&rst
ixpk= 485, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 58 GLU HN 58 GLU HG- 5.50 (# 486:20 Unique 1.99, 3.26 A)
&rst
ixpk= 486, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:487 0 AMB 20-1:487 2.80 (# 487:20 Double Ambig)
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1403,1404,1403,1404, 107, 108,
igr2=1406,1407,1406,1407, 110, 111, 110, 111,
&end
#
# 0 AMB 20-2:488 0 AMB 20-1:488 2.80 (# 488:20 Double Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 91, 88, 89, 88, 89, 88, 89, 88, 89, 88,
89,
igr2= 110, 111, 110, 111, 110, 111, 110, 111, 28, 29,
28, 29, 28, 29,
&end
#
# 48 ILE HN 48 ILE HB 2.80 (# 489:20 Unique 1.98, 2.30 A)
&rst
ixpk= 489, nxpk= 20, iat= 772, 776, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 ILE HA 48 ILE HB 4.50 (# 490:20 Unique 2.82, 2.98 A)
&rst
ixpk= 490, nxpk= 20, iat= 774, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HA 48 ILE HB 4.50 (# 491:20 Unique 1.87, 1.97 A)
&rst
ixpk= 491, nxpk= 20, iat= 723, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:492 48 ILE HB 4.50 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 795, 796, 795, 796, 762, 763, 762, 763,1268,1269,
&end
#
# 48 ILE HG1+ 48 ILE HB 3.50 (# 493:20 Unique 2.23, 2.46 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 782, 783,
&end
#
# 48 ILE QG2 48 ILE HB 2.80 (# 494:20 Unique 2.24, 2.64 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 778, 779, 780,
&end
#
# 0 AMB 20-2:495 48 ILE HB 4.50 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279,1011,1012,
1013,1015,1016,1017,
&end
#
# 7 GLU HA 0 AMB 20-1:496 2.80 (# 496:20 Single Ambig)
&rst
ixpk= 496, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 110, 111, 110, 111,
&end
#
# 0 AMB 20-2:497 0 AMB 20-1:497 3.50 (# 497:20 Double Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1342,1343,1342,1343, 119, 120, 119, 120, 119, 120,
igr2=1406,1407,1406,1407, 110, 111, 110, 111, 110, 111,
&end
#
# 0 AMB 20-2:498 0 AMB 20-1:498 2.80 (# 498:20 Double Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 967, 968, 969, 960, 961, 962, 93, 94, 95, 97,
98, 99, 93, 94, 95, 97, 98, 99, 992, 993,
994, 996, 997, 998,
igr2=1406,1407,1406,1407,1406,1407, 110, 111, 110, 111,
110, 111,1406,1407,
&end
#
# 29 LYS HN 29 LYS HB- 4.50 (# 499:20 Unique 2.59, 3.19 A)
&rst
ixpk= 499, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 456,
&end
#
# 31 TYR HE 29 LYS HB- 4.50 (# 500:20 Unique 2.00, 4.64 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 504, 509,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:501 29 LYS HB- 4.50 (# 501:20 Single Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2028,2029,2030,2032,2033,2034, 258, 259, 260,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:502 29 LYS HB- 3.50 (# 502:20 Single Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 458, 459, 458, 459,
igr2= 455, 456,
&end
#
# 29 LYS HA 29 LYS HB- 4.50 (# 503:20 Unique 2.32, 2.77 A)
&rst
ixpk= 503, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 456,
&end
#
# 29 LYS HN 29 LYS HB+ 4.50 (# 504:20 Unique 2.59, 3.19 A)
&rst
ixpk= 504, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 456,
&end
#
# 31 TYR HE 29 LYS HB+ 4.50 (# 505:20 Unique 2.00, 4.64 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 504, 509,
igr2= 455, 456,
&end
#
# 29 LYS HA 29 LYS HB+ 3.50 (# 506:20 Unique 2.32, 2.77 A)
&rst
ixpk= 506, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:508 0 AMB 20-1:508 3.50 (# 508:20 Double Ambig)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 458, 459, 458, 459,
igr2= 455, 456, 455, 456,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 3.50 (# 509:20 Double Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1401, 119, 120, 119, 120,
igr2=1406,1407, 110, 111, 110, 111,
&end
#
# 66 THR MG2 87 GLU HG+ 4.50 (# 510:20 Unique 1.98, 4.83 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1068,1069,1070,
igr2=1406,1407,
&end
#
# 0 AMB 20-2:511 127 GLU HG- 4.50 (# 511:20 Single Ambig)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2050,2065,
igr2=2057,2058,
&end
#
# 87 GLU HN 87 GLU HG- 4.50 (# 513:20 Unique 1.93, 3.41 A)
&rst
ixpk= 513, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1406,1407,
&end
#
# 87 GLU HN 87 GLU HG+ 4.50 (# 514:20 Unique 1.93, 3.41 A)
&rst
ixpk= 514, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1406,1407,
&end
#
# 87 GLU HA 87 GLU HG+ 4.50 (# 515:20 Unique 2.36, 3.83 A)
&rst
ixpk= 515, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1406,1407,
&end
#
# 113 ALA HN 110 GLU HG+ 4.50 (# 516:20 Unique 1.87, 2.14 A)
&rst
ixpk= 516, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1784,1785,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 3.50 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1842,1843,1844,1821,1822,
igr2=1784,1785,1784,1785,
&end
#
# 0 AMB 20-2:520 110 GLU HG- 4.50 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1=1208,1209,1186,1187,1188,1857,1858,1859,1861,1862,
1863,1857,1858,1859,1861,1862,1863, 411, 412, 413,
415, 416, 417,
igr2=1784,1785,
&end
#
# 112 ARG HN 110 GLU HG- 4.50 (# 521:20 Unique 1.72, 2.78 A)
&rst
ixpk= 521, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1784,1785,
&end
#
# 113 ALA HN 110 GLU HG- 3.50 (# 522:20 Unique 1.87, 2.14 A)
&rst
ixpk= 522, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1784,1785,
&end
#
# 110 GLU HB+ 110 GLU HG- 4.50 (# 523:20 Unique 2.27, 2.77 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1781,1782,
igr2=1784,1785,
&end
#
# 0 AMB 20-2:525 110 GLU HG- 4.50 (# 525:20 Single Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1842,1843,1844,1821,1822,
igr2=1784,1785,
&end
#
# 129 VAL HN 129 VAL HB 4.50 (# 526:20 Unique 2.19, 2.78 A)
&rst
ixpk= 526, nxpk= 20, iat=2084,2088, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:527 129 VAL HB 3.50 (# 527:20 Single Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2148,2149,2150,2090,2091,2092,2094,2095,2096, 203,
204, 205, 207, 208, 209,
&end
#
# 129 VAL MGX 129 VAL HB 3.50 (# 528:20 Unique 2.23, 2.65 A)
&rst
ixpk= 528, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 74 ASP HN 73 ILE HB 2.80 (# 529:20 Unique 1.74, 1.83 A)
&rst
ixpk= 529, nxpk= 20, iat=1192,1177, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:530 73 ILE HB 4.50 (# 530:20 Single Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1756,1757,1204,
&end
#
# 73 ILE HA 73 ILE HB 4.50 (# 531:20 Unique 2.95, 2.99 A)
&rst
ixpk= 531, nxpk= 20, iat=1175,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ILE HG1+ 73 ILE HB 4.50 (# 532:20 Unique 2.62, 2.85 A)
&rst
ixpk= 532, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1183,1184,
&end
#
# 73 ILE HG1- 73 ILE HB 4.50 (# 533:20 Unique 2.62, 2.85 A)
&rst
ixpk= 533, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1183,1184,
&end
#
# 73 ILE QG2 73 ILE HB 2.80 (# 534:20 Unique 2.22, 2.64 A)
&rst
ixpk= 534, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1179,1180,1181,
&end
#
# 140 GLN HN 140 GLN HG+ 4.50 (# 535:20 Unique 1.91, 2.59 A)
&rst
ixpk= 535, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2239,2240,
&end
#
# 0 AMB 20-2:536 0 AMB 20-1:536 4.50 (# 536:20 Double Ambig)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2244,2245,2261,2262,
igr2=2239,2240,2239,2240,
&end
#
# 0 AMB 20-2:537 0 AMB 20-1:537 3.50 (# 537:20 Double Ambig)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2234,2219,2220,
igr2=2239,2240,2239,2240,
&end
#
# 0 AMB 20-2:538 0 AMB 20-1:538 2.80 (# 538:20 Double Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2236,2237,2236,2237,2222,2223,2253,2254,
igr2=2239,2240,2239,2240,2239,2240,2239,2240,
&end
#
# 140 GLN HN 140 GLN HG- 4.50 (# 539:20 Unique 1.91, 2.59 A)
&rst
ixpk= 539, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2239,2240,
&end
#
# 0 AMB 20-2:540 140 GLN HG- 4.50 (# 540:20 Single Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2244,2245,2261,2262,
igr2=2239,2240,
&end
#
# 141 GLN HN 140 GLN HG+ 4.50 (# 541:20 Unique 1.91, 3.10 A)
&rst
ixpk= 541, nxpk= 20, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2239,2240,
&end
#
# 104 MET HN 0 AMB 20-1:543 2.80 (# 543:20 Single Ambig)
&rst
ixpk= 543, nxpk= 20, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1669,1670,1669,1670,
&end
#
# 104 MET HA 0 AMB 20-1:544 2.80 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1669,1670,1669,1670,
&end
#
# 0 AMB 20-2:545 0 AMB 20-1:545 2.80 (# 545:20 Double Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1672,1673,1672,1673,
igr2=1669,1670,1669,1670,
&end
#
# 0 AMB 20-2:546 0 AMB 20-1:546 2.80 (# 546:20 Double Ambig)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2236,2237,2236,2237,1652,1653,1652,1653,2253,2254,
igr2=1655,1656,2239,2240,
&end
#
# 0 AMB 20-2:547 0 AMB 20-1:547 4.50 (# 547:20 Double Ambig)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2249,1660,1661,
igr2=2239,2240,1655,1656,
&end
#
# 0 AMB 20-2:549 0 AMB 20-1:549 4.50 (# 549:20 Double Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1701,1648,
igr2=1669,1670,1669,1670,1669,1670,
&end
#
# 104 MET HG- 0 AMB 20-1:550 3.50 (# 550:20 Single Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1672,1673,
igr2=1669,1670,1669,1670,
&end
#
# 0 AMB 20-2:551 0 AMB 20-1:551 3.50 (# 551:20 Double Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
igr2=1669,1670,1669,1670,1669,1670,
&end
#
# 103 GLN HN 103 GLN HG+ 3.50 (# 552:20 Unique 2.03, 3.24 A)
&rst
ixpk= 552, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1655,1656,
&end
#
# 103 GLN HE2+ 103 GLN HG+ 3.50 (# 553:20 Unique 2.10, 3.14 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1660,1661,
igr2=1655,1656,
&end
#
# 103 GLN HE2- 103 GLN HG+ 4.50 (# 554:20 Unique 2.10, 3.14 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1660,1661,
igr2=1655,1656,
&end
#
# 0 AMB 20-2:555 0 AMB 20-1:555 2.80 (# 555:20 Double Ambig)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2234,1650,
igr2=1655,1656,1655,1656,
&end
#
# 0 AMB 20-2:557 0 AMB 20-1:557 2.80 (# 557:20 Double Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2236,2237,1652,1653,1652,1653,
igr2=1655,1656,1655,1656,1655,1656,
&end
#
# 143 VAL MGY 103 GLN HG+ 4.50 (# 558:20 Unique 1.99, 4.55 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1655,1656,
&end
#
# 103 GLN HN 103 GLN HG- 3.50 (# 559:20 Unique 2.03, 3.24 A)
&rst
ixpk= 559, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1655,1656,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 2.80 (# 560:20 Double Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2234,1650,
igr2=1655,1656,2239,2240,
&end
#
# 143 VAL MGX 103 GLN HG- 2.80 (# 561:20 Unique 1.99, 4.55 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1655,1656,
&end
#
# 15 ALA HN 14 LYS HB- 4.50 (# 562:20 Unique 2.04, 2.90 A)
&rst
ixpk= 562, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:563 0 AMB 20-1:563 4.50 (# 563:20 Double Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1641,1642,1641,1642,
igr2=1655,1656,1655,1656,
&end
#
# 62 LEU MDX 67 VAL HB 4.50 (# 564:20 Unique 2.24, 5.33 A)
&rst
ixpk= 564, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 79 VAL HN 79 VAL HB 4.50 (# 565:20 Unique 2.26, 2.62 A)
&rst
ixpk= 565, nxpk= 20, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 2.80 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2288,2289,2290,2292,2293,2294,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,1291,1292,
1293,1295,1296,1297,
igr2=1669,1670,1669,1670,1289,
&end
#
# 14 LYS HN 14 LYS HB- 4.50 (# 567:20 Unique 2.26, 2.91 A)
&rst
ixpk= 567, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 217, 218,
&end
#
# 14 LYS HA 14 LYS HB- 4.50 (# 568:20 Unique 2.40, 2.83 A)
&rst
ixpk= 568, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:569 14 LYS HB- 4.50 (# 569:20 Single Ambig)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 226, 227, 226, 227,
igr2= 217, 218,
&end
#
# 80 ILE QG2 14 LYS HB- 4.50 (# 571:20 Unique 1.99, 3.63 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1307,1308,1309,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:572 14 LYS HB- 4.50 (# 572:20 Single Ambig)
&rst
ixpk= 572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 239, 240, 241,1314,1315,1316, 203, 204, 205, 207,
208, 209,1052,1053,1054,1056,1057,1058,
igr2= 217, 218,
&end
#
# 14 LYS HN 14 LYS HB+ 4.50 (# 573:20 Unique 2.26, 2.91 A)
&rst
ixpk= 573, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 217, 218,
&end
#
# 14 LYS HA 14 LYS HB+ 4.50 (# 574:20 Unique 2.40, 2.83 A)
&rst
ixpk= 574, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 217, 218,
&end
#
# 80 ILE QG2 14 LYS HB+ 4.50 (# 576:20 Unique 1.99, 3.63 A)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1307,1308,1309,
igr2= 217, 218,
&end
#
# 0 AMB 20-2:577 0 AMB 20-1:577 4.50 (# 577:20 Double Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1= 239, 240, 241,1314,1315,1316, 203, 204, 205, 207,
208, 209,1052,1053,1054,1056,1057,1058,
igr2= 217, 218, 217, 218, 217, 218, 217, 218,
&end
#
# 0 AMB 20-2:578 0 AMB 20-1:578 5.50 (# 578:20 Double Ambig)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 152, 153, 154, 156, 157, 158, 203, 204, 205, 207,
208, 209,
igr2= 217, 218, 217, 218,
&end
#
# 15 ALA HN 14 LYS HB+ 4.50 (# 579:20 Unique 2.04, 2.90 A)
&rst
ixpk= 579, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 217, 218,
&end
#
# 67 VAL HN 67 VAL HB 3.50 (# 580:20 Unique 2.68, 3.24 A)
&rst
ixpk= 580, nxpk= 20, iat=1076,1080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ILE HG1+ 67 VAL HB 4.50 (# 581:20 Unique 1.97, 3.23 A)
&rst
ixpk= 581, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1311,1312,
&end
#
# 0 AMB 20-2:582 0 AMB 20-1:582 2.80 (# 582:20 Double Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2288,2289,2290,2292,2293,2294,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2=1655,1656,1080,
&end
#
# 132 GLY HA- 13 VAL HB 5.50 (# 583:20 Unique 1.99, 4.43 A)
&rst
ixpk= 583, nxpk= 20, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2121,2122,
&end
#
# 51 LYS HN 51 LYS HB+ 4.50 (# 584:20 Unique 2.03, 2.74 A)
&rst
ixpk= 584, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 829, 830,
&end
#
# 51 LYS HA 51 LYS HB+ 3.50 (# 585:20 Unique 2.44, 2.83 A)
&rst
ixpk= 585, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:586 0 AMB 20-1:586 2.80 (# 586:20 Double Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1006,1007,1006,1007, 832, 833, 832, 833,
igr2= 829, 830, 829, 830, 829, 830, 829, 830,
&end
#
# 62 LEU MDX 51 LYS HB+ 4.50 (# 587:20 Unique 1.95, 4.20 A)
&rst
ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1011,1012,1013,1015,1016,1017,
igr2= 829, 830,
&end
#
# 51 LYS HN 51 LYS HB- 3.50 (# 588:20 Unique 2.03, 2.74 A)
&rst
ixpk= 588, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 829, 830,
&end
#
# 51 LYS HA 51 LYS HB- 3.50 (# 589:20 Unique 2.44, 2.83 A)
&rst
ixpk= 589, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:590 51 LYS HB- 2.80 (# 590:20 Single Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1006,1007,1006,1007, 832, 833, 832, 833,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:591 0 AMB 20-1:591 4.50 (# 591:20 Double Ambig)
&rst
ixpk= 591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 581, 582,1437,1438, 557, 558,1403,1404, 641, 642,
igr2= 217, 218, 217, 218, 217, 218, 217, 218, 217, 218,
&end
#
# 0 AMB 20-2:592 13 VAL HB 3.50 (# 592:20 Single Ambig)
&rst
ixpk= 592, nxpk= 20, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 203, 204, 205, 207, 208, 209,1291,1292,1293,1295,
1296,1297,
&end
#
# 0 AMB 20-2:593 13 VAL HB 3.50 (# 593:20 Single Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2090,2091,2092,2094,2095,2096, 203, 204, 205, 207,
208, 209,2148,2149,2150,
&end
#
# 0 AMB 20-2:594 110 GLU HB- 4.50 (# 594:20 Single Ambig)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1183,1184,1842,1843,1844,1821,1822,
igr2=1781,1782,
&end
#
# 73 ILE QG2 110 GLU HB+ 3.50 (# 595:20 Unique 1.93, 3.15 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1179,1180,1181,
igr2=1781,1782,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 4.50 (# 596:20 Double Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1756,1757,2261,2262,
igr2=1781,1782,2256,2257,
&end
#
# 0 AMB 20-2:597 0 AMB 20-1:597 4.50 (# 597:20 Double Ambig)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2266,2249,
igr2=2256,2257,2256,2257,
&end
#
# 110 GLU HA 110 GLU HB+ 3.50 (# 598:20 Unique 2.35, 2.47 A)
&rst
ixpk= 598, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1781,1782,
&end
#
# 141 GLN HA 141 GLN HG+ 4.50 (# 599:20 Unique 1.98, 3.02 A)
&rst
ixpk= 599, nxpk= 20, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2256,2257,
&end
#
# 0 AMB 20-2:600 0 AMB 20-1:600 4.50 (# 600:20 Double Ambig)
&rst
ixpk= 600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2325,2326,1805,1806,2210,2211,
igr2=2256,2257,1781,1782,2256,2257,
&end
#
# 141 GLN HA 141 GLN HG- 4.50 (# 603:20 Unique 1.98, 3.02 A)
&rst
ixpk= 603, nxpk= 20, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2256,2257,
&end
#
# 141 GLN HE2- 141 GLN HG- 4.50 (# 605:20 Unique 2.14, 3.37 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2261,2262,
igr2=2256,2257,
&end
#
# 0 AMB 20-2:606 141 GLN HG- 4.50 (# 606:20 Single Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2266,2249,
igr2=2256,2257,
&end
#
# 0 AMB 20-2:607 141 GLN HG- 4.50 (# 607:20 Single Ambig)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2325,2326,2210,2211,
igr2=2256,2257,
&end
#
# 0 AMB 20-2:608 0 AMB 20-1:608 2.80 (# 608:20 Double Ambig)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2187,2188,2187,2188,2253,2254,2253,2254,1289,
igr2=2256,2257,1096,
&end
#
# 110 GLU HA 110 GLU HB- 3.50 (# 609:20 Unique 2.35, 2.47 A)
&rst
ixpk= 609, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1781,1782,
&end
#
# 0 AMB 20-2:611 0 AMB 20-1:611 3.50 (# 611:20 Double Ambig)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1747,1725,
igr2=1729,1730,1729,1730,
&end
#
# 107 LYS HA 107 LYS HB+ 3.50 (# 612:20 Unique 2.28, 2.81 A)
&rst
ixpk= 612, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1729,1730,
&end
#
# 0 AMB 20-2:613 0 AMB 20-1:613 4.50 (# 613:20 Double Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1738,1739,1738,1739,
igr2=1729,1730,1729,1730,
&end
#
# 0 AMB 20-2:614 0 AMB 20-1:614 2.80 (# 614:20 Double Ambig)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1735,1736,1735,1736,
igr2=1729,1730,1729,1730,
&end
#
# 0 AMB 20-2:615 0 AMB 20-1:615 2.80 (# 615:20 Double Ambig)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1732,1733,1732,1733,
igr2=1729,1730,1729,1730,
&end
#
# 0 AMB 20-2:616 107 LYS HB- 3.50 (# 616:20 Single Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1747,1725,
igr2=1729,1730,
&end
#
# 107 LYS HA 107 LYS HB- 3.50 (# 617:20 Unique 2.28, 2.81 A)
&rst
ixpk= 617, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1729,1730,
&end
#
# 0 AMB 20-2:619 107 LYS HB- 2.80 (# 619:20 Single Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1732,1733,1732,1733,
igr2=1729,1730,
&end
#
# 118 MET HN 118 MET HG+ 2.80 (# 620:20 Unique 2.11, 3.08 A)
&rst
ixpk= 620, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1922,1923,
&end
#
# 115 LEU HA 118 MET HG+ 3.50 (# 621:20 Unique 1.95, 2.31 A)
&rst
ixpk= 621, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:623 0 AMB 20-1:623 2.80 (# 623:20 Double Ambig)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1926,1927,1928,1919,1920,
igr2=1922,1923,1922,1923,
&end
#
# 118 MET HB- 118 MET HG+ 3.50 (# 624:20 Unique 2.27, 2.69 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1919,1920,
igr2=1922,1923,
&end
#
# 115 LEU MDX 118 MET HG+ 4.50 (# 625:20 Unique 2.42, 5.58 A)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1876,1877,1878,1880,1881,1882,
igr2=1922,1923,
&end
#
# 118 MET HN 118 MET HG- 3.50 (# 626:20 Unique 2.11, 3.08 A)
&rst
ixpk= 626, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1922,1923,
&end
#
# 115 LEU HA 118 MET HG- 3.50 (# 627:20 Unique 1.95, 2.31 A)
&rst
ixpk= 627, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:628 118 MET HG- 2.80 (# 628:20 Single Ambig)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1926,1927,1928,1919,1920,
igr2=1922,1923,
&end
#
# 118 MET HB- 118 MET HG- 2.80 (# 629:20 Unique 2.27, 2.69 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1919,1920,
igr2=1922,1923,
&end
#
# 115 LEU MDX 118 MET HG- 3.50 (# 630:20 Unique 2.42, 5.58 A)
&rst
ixpk= 630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1876,1877,1878,1880,1881,1882,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:631 0 AMB 20-1:631 3.50 (# 631:20 Double Ambig)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1521,1522,1523,1525,1526,1527,1459,1460,1461,1463,
1464,1465,2272,2273,2274,2276,2277,2278,
igr2=1096,2256,2257,
&end
#
# 0 AMB 20-2:632 0 AMB 20-1:632 4.50 (# 632:20 Double Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2067,2052,
igr2=2184,2185,2184,2185,2184,2185,
&end
#
# 0 AMB 20-2:633 0 AMB 20-1:633 4.50 (# 633:20 Double Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1476,1477,1476,1477,2210,2211,
igr2=1096,2256,2257,
&end
#
# 68 VAL HN 68 VAL HB 4.50 (# 634:20 Unique 2.38, 2.98 A)
&rst
ixpk= 634, nxpk= 20, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HN 68 VAL HB 5.50 (# 635:20 Unique 2.28, 3.91 A)
&rst
ixpk= 635, nxpk= 20, iat=1108,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 VAL HA 68 VAL HB 3.50 (# 636:20 Unique 2.35, 2.55 A)
&rst
ixpk= 636, nxpk= 20, iat=1094,1096, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:637 68 VAL HB 2.80 (# 637:20 Single Ambig)
&rst
ixpk= 637, nxpk= 20, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 964, 965,1291,1292,1293,1295,1296,1297,1098,1099,
1100,1102,1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 133 VAL HN 133 VAL HB 3.50 (# 638:20 Unique 2.16, 2.45 A)
&rst
ixpk= 638, nxpk= 20, iat=2126,2130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:639 133 VAL HB 2.80 (# 639:20 Single Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2132,2133,2134,2136,2137,2138,2132,2133,2134,2136,
2137,2138,
&end
#
# 0 AMB 20-2:640 0 AMB 20-1:640 4.50 (# 640:20 Double Ambig)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 601, 654,
igr2= 659, 660, 659, 660, 659, 660,
&end
#
# 99 ASP HB+ 139 PRO HB+ 4.50 (# 641:20 Unique 1.99, 3.24 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1599,1600,
igr2=2225,2226,
&end
#
# 0 AMB 20-2:642 0 AMB 20-1:642 4.50 (# 642:20 Double Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 641, 642, 725, 726, 725, 726, 603,
igr2= 659, 660, 659, 660, 659, 660, 659, 660,
&end
#
# 139 PRO HA 139 PRO HB+ 3.50 (# 643:20 Unique 2.30, 2.52 A)
&rst
ixpk= 643, nxpk= 20, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2225,2226,
&end
#
# 0 AMB 20-2:645 0 AMB 20-1:645 4.50 (# 645:20 Double Ambig)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
igr2=1796,1797,1796,1797,
&end
#
# 39 LYS HN 39 LYS HB+ 2.80 (# 646:20 Unique 2.05, 2.53 A)
&rst
ixpk= 646, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 619, 620,
&end
#
# 40 GLU HN 39 LYS HB+ 4.50 (# 647:20 Unique 2.89, 3.46 A)
&rst
ixpk= 647, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 619, 620,
&end
#
# 39 LYS HG- 39 LYS HB+ 3.50 (# 649:20 Unique 2.27, 2.74 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 622, 623,
igr2= 619, 620,
&end
#
# 139 PRO HA 139 PRO HB- 4.50 (# 650:20 Unique 2.30, 2.52 A)
&rst
ixpk= 650, nxpk= 20, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2225,2226,
&end
#
# 39 LYS HN 39 LYS HB- 2.80 (# 652:20 Unique 2.05, 2.53 A)
&rst
ixpk= 652, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 619, 620,
&end
#
# 40 GLU HN 39 LYS HB- 4.50 (# 653:20 Unique 2.89, 3.46 A)
&rst
ixpk= 653, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 619, 620,
&end
#
# 0 AMB 20-2:654 39 LYS HB- 3.50 (# 654:20 Single Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 617, 592, 593,
igr2= 619, 620,
&end
#
# 39 LYS HG+ 39 LYS HB- 2.80 (# 656:20 Unique 2.27, 2.74 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 622, 623,
igr2= 619, 620,
&end
#
# 0 AMB 20-2:657 39 LYS HB- 4.50 (# 657:20 Single Ambig)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 628, 629, 628, 629,
igr2= 619, 620,
&end
#
# 91 MET HN 0 AMB 20-1:658 3.50 (# 658:20 Single Ambig)
&rst
ixpk= 658, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1476,1477,1476,1477,
&end
#
# 95 ASN HD2- 0 AMB 20-1:659 5.50 (# 659:20 Single Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1540,1541,
igr2=1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 2.80 (# 660:20 Double Ambig)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
igr2=1476,1477,1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:661 0 AMB 20-1:661 2.80 (# 661:20 Double Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1609,1558, 617,
igr2=2225,2226, 619, 620,
&end
#
# 0 AMB 20-2:662 139 PRO HB- 3.50 (# 662:20 Single Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2222,2223,1655,1656,
igr2=2225,2226,
&end
#
# 0 AMB 20-2:663 111 LYS HB- 4.50 (# 663:20 Single Ambig)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1208,1209, 411, 412, 413, 415, 416, 417, 411, 412,
413, 415, 416, 417,
igr2=1796,1797,
&end
#
# 92 ALA HN 0 AMB 20-1:664 5.50 (# 664:20 Single Ambig)
&rst
ixpk= 664, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:665 0 AMB 20-1:665 4.50 (# 665:20 Double Ambig)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1540,1541,1540,1541,
igr2=1476,1477,1476,1477,
&end
#
# 88 LEU HA 0 AMB 20-1:666 3.50 (# 666:20 Single Ambig)
&rst
ixpk= 666, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:667 0 AMB 20-1:667 2.80 (# 667:20 Double Ambig)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1473,1474,1473,1474,1473,1474,
igr2=1476,1477,1476,1477,1476,1477,
&end
#
# 9 SER HN 8 PRO HB- 4.50 (# 669:20 Unique 1.91, 2.82 A)
&rst
ixpk= 669, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 125, 126,
&end
#
# 8 PRO HA 8 PRO HB- 2.80 (# 670:20 Unique 2.30, 2.52 A)
&rst
ixpk= 670, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 125, 126,
&end
#
# 0 AMB 20-2:671 8 PRO HB- 2.80 (# 671:20 Single Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 119, 120, 119, 120, 136, 137,
igr2= 125, 126,
&end
#
# 36 PRO HA 36 PRO HB+ 2.80 (# 672:20 Unique 2.30, 2.52 A)
&rst
ixpk= 672, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 581, 582,
&end
#
# 0 AMB 20-2:673 0 AMB 20-1:673 4.50 (# 673:20 Double Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 575, 576, 575, 576,
igr2= 581, 582, 581, 582,
&end
#
# 143 VAL HA 146 VAL HB 5.50 (# 674:20 Unique 2.93, 3.86 A)
&rst
ixpk= 674, nxpk= 20, iat=2284,2343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HB- 36 PRO HB- 5.50 (# 675:20 Unique 1.99, 3.47 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 477, 478,
igr2= 581, 582,
&end
#
# 36 PRO HA 36 PRO HB- 2.80 (# 676:20 Unique 2.30, 2.52 A)
&rst
ixpk= 676, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 581, 582,
&end
#
# 138 ASP HB- 142 VAL HB 5.50 (# 677:20 Unique 3.08, 5.50 A)
&rst
ixpk= 677, nxpk= 20, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2210,2211,
&end
#
# 9 SER HN 8 PRO HB+ 4.50 (# 678:20 Unique 1.91, 2.82 A)
&rst
ixpk= 678, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 125, 126,
&end
#
# 8 PRO HA 8 PRO HB+ 2.80 (# 679:20 Unique 2.30, 2.52 A)
&rst
ixpk= 679, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 125, 126,
&end
#
# 0 AMB 20-2:680 0 AMB 20-1:680 3.50 (# 680:20 Double Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 119, 120, 119, 120, 136, 137,
igr2= 125, 126, 125, 126, 125, 126,
&end
#
# 52 THR HA 52 THR HB 4.50 (# 683:20 Unique 2.38, 2.52 A)
&rst
ixpk= 683, nxpk= 20, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:684 0 AMB 20-1:684 2.80 (# 684:20 Double Ambig)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1444,1445,1446,1437,1438,
igr2=1440,1441,1440,1441,
&end
#
# 0 AMB 20-2:685 0 AMB 20-1:685 3.50 (# 685:20 Double Ambig)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1794,2341,
igr2=1796,1797,2343,
&end
#
# 0 AMB 20-2:686 0 AMB 20-1:686 2.80 (# 686:20 Double Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1208,1209, 411, 412, 413, 415, 416, 417,2345,2346,
2347,2349,2350,2351,2345,2346,2347,2349,2350,2351,
1459,1460,1461,1463,1464,1465,2002,2003,2004,2006,
2007,2008,2002,2003,2004,2006,2007,2008,1098,1099,
1100,1102,1103,1104,
igr2=1796,1797,1796,1797,2343,1473,1474,1473,1474,1473,
1474,
&end
#
# 55 THR HA 55 THR HB 3.50 (# 687:20 Unique 2.28, 2.91 A)
&rst
ixpk= 687, nxpk= 20, iat= 904, 906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR MG2 55 THR HB 2.80 (# 688:20 Unique 2.28, 2.69 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 908, 909, 910,
&end
#
# 12 THR MG2 12 THR HB 3.50 (# 689:20 Unique 2.29, 2.69 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 189, 190, 191,
&end
#
# 0 AMB 20-2:690 12 THR HB 3.50 (# 690:20 Single Ambig)
&rst
ixpk= 690, nxpk= 20, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2132,2133,2134,2136,2137,2138, 203, 204, 205, 207,
208, 209,2148,2149,2150,
&end
#
# 52 THR MG2 52 THR HB 3.50 (# 691:20 Unique 2.28, 2.69 A)
&rst
ixpk= 691, nxpk= 20, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 853, 854, 855,
&end
#
# 0 AMB 20-2:692 0 AMB 20-1:692 3.50 (# 692:20 Double Ambig)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
igr2=1672,1673,1672,1673,
&end
#
# 0 AMB 20-2:693 142 VAL HB 2.80 (# 693:20 Single Ambig)
&rst
ixpk= 693, nxpk= 20, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2272,2273,2274,2276,2277,2278,2272,2273,2274,2276,
2277,2278,
&end
#
# 0 AMB 20-2:694 0 AMB 20-1:694 2.80 (# 694:20 Double Ambig)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1476,1477,1476,1477,1476,1477,
igr2=1473,1474,1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:695 0 AMB 20-1:695 3.50 (# 695:20 Double Ambig)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1=1997,1998,1418,1419,1418,1419,1418,1419,2359,2360,
2361,1516,1517,
igr2=2343,1473,1474,1473,1474,1437,1438,1473,1474,
&end
#
# 0 AMB 20-2:696 0 AMB 20-1:696 2.80 (# 696:20 Double Ambig)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 954,2355,1433,
igr2= 943, 944,2343,1437,1438,
&end
#
# 0 AMB 20-2:697 0 AMB 20-1:697 3.50 (# 697:20 Double Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2282, 527,1665,
igr2=2286, 581, 582,
&end
#
# 0 AMB 20-2:698 0 AMB 20-1:698 3.50 (# 698:20 Double Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2298, 588,
igr2=2286, 581, 582,
&end
#
# 25 ARG HN 25 ARG HB+ 3.50 (# 699:20 Unique 2.33, 3.10 A)
&rst
ixpk= 699, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 382, 383,
&end
#
# 0 AMB 20-2:700 0 AMB 20-1:700 4.50 (# 700:20 Double Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 382, 383, 382, 383,
&end
#
# 25 ARG HN 25 ARG HB- 3.50 (# 701:20 Unique 2.33, 3.10 A)
&rst
ixpk= 701, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 382, 383,
&end
#
# 0 AMB 20-2:702 25 ARG HB- 4.50 (# 702:20 Single Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 368, 423, 404,
igr2= 382, 383,
&end
#
# 25 ARG HA 25 ARG HB- 4.50 (# 703:20 Unique 2.34, 2.51 A)
&rst
ixpk= 703, nxpk= 20, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 382, 383,
&end
#
# 0 AMB 20-2:704 25 ARG HB- 3.50 (# 704:20 Single Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 388, 389, 388, 389,
igr2= 382, 383,
&end
#
# 104 MET HN 104 MET HG- 3.50 (# 705:20 Unique 1.91, 2.66 A)
&rst
ixpk= 705, nxpk= 20, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:706 104 MET HG- 3.50 (# 706:20 Single Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1689,1676,1677,1678,
igr2=1672,1673,
&end
#
# 104 MET HA 104 MET HG- 3.50 (# 707:20 Unique 2.19, 3.48 A)
&rst
ixpk= 707, nxpk= 20, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:708 104 MET HG- 2.80 (# 708:20 Single Ambig)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1669,1670,1669,1670,
igr2=1672,1673,
&end
#
# 143 VAL MGY 104 MET HG- 3.50 (# 709:20 Unique 1.98, 4.32 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1672,1673,
&end
#
# 104 MET HN 104 MET HG+ 3.50 (# 710:20 Unique 1.91, 2.66 A)
&rst
ixpk= 710, nxpk= 20, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1672,1673,
&end
#
# 104 MET HA 104 MET HG+ 3.50 (# 711:20 Unique 2.19, 3.48 A)
&rst
ixpk= 711, nxpk= 20, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 2.80 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1669,1670,1669,1670,
igr2=1672,1673,1672,1673,
&end
#
# 0 AMB 20-2:713 0 AMB 20-1:713 3.50 (# 713:20 Double Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1689,1676,1677,1678,
igr2=1672,1673,1672,1673,
&end
#
# 143 VAL MGX 104 MET HG+ 2.80 (# 714:20 Unique 1.98, 4.32 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1672,1673,
&end
#
# 142 VAL HN 142 VAL HB 5.50 (# 715:20 Unique 2.22, 3.07 A)
&rst
ixpk= 715, nxpk= 20, iat=2266,2270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:717 0 AMB 20-1:717 4.50 (# 717:20 Double Ambig)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1540,1541,1540,1541,
igr2=1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:718 0 AMB 20-1:718 2.80 (# 718:20 Double Ambig)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1469,2339,
igr2=1473,1474,1473,1474,2343,
&end
#
# 0 AMB 20-2:719 0 AMB 20-1:719 4.50 (# 719:20 Double Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2152,2153,2152,2153,2322,2323, 964, 965, 964, 965,
igr2=1437,1438,1437,1438,2343,1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:720 0 AMB 20-1:720 4.50 (# 720:20 Double Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1450,2365, 928,1540,1541,
igr2=1437,1438,2343, 943, 944,
&end
#
# 0 AMB 20-2:721 0 AMB 20-1:721 4.50 (# 721:20 Double Ambig)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2234, 187,1667,1609,
igr2=2286,1437,1438,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 3.50 (# 722:20 Double Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 954,1433,
igr2= 943, 944,1437,1438,
&end
#
# 46 LYS HN 46 LYS HB+ 2.80 (# 723:20 Unique 2.01, 2.65 A)
&rst
ixpk= 723, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 740, 741,
&end
#
# 0 AMB 20-2:724 0 AMB 20-1:724 3.50 (# 724:20 Double Ambig)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 767, 768, 758,
igr2= 740, 741, 740, 741,
&end
#
# 46 LYS HA 46 LYS HB+ 3.50 (# 725:20 Unique 2.45, 2.82 A)
&rst
ixpk= 725, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 740, 741,
&end
#
# 0 AMB 20-2:726 0 AMB 20-1:726 2.80 (# 726:20 Double Ambig)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 743, 744, 743, 744,
igr2= 740, 741, 740, 741,
&end
#
# 0 AMB 20-2:727 0 AMB 20-1:727 4.50 (# 727:20 Double Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 368, 423, 404,
igr2= 382, 383, 382, 383, 382, 383,
&end
#
# 0 AMB 20-2:728 0 AMB 20-1:728 4.50 (# 728:20 Double Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 388, 389, 388, 389,
igr2= 382, 383, 382, 383,
&end
#
# 28 ALA MB 25 ARG HB+ 4.50 (# 729:20 Unique 1.96, 4.23 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447,
igr2= 382, 383,
&end
#
# 42 LYS HN 0 AMB 20-1:730 3.50 (# 730:20 Single Ambig)
&rst
ixpk= 730, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 673, 674, 673, 674,
&end
#
# 46 LYS HN 46 LYS HB- 2.80 (# 731:20 Unique 2.01, 2.65 A)
&rst
ixpk= 731, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 740, 741,
&end
#
# 0 AMB 20-2:732 0 AMB 20-1:732 2.80 (# 732:20 Double Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 617, 671, 738,
igr2= 673, 674, 673, 674, 673, 674, 740, 741,
&end
#
# 0 AMB 20-2:733 0 AMB 20-1:733 3.50 (# 733:20 Double Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 682, 683, 682, 683, 749, 750, 749, 750,
igr2= 673, 674, 673, 674, 740, 741, 673, 674,
&end
#
# 0 AMB 20-2:734 0 AMB 20-1:734 2.80 (# 734:20 Double Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 743, 744, 743, 744, 622, 623, 622, 623,
igr2= 740, 741, 673, 674, 673, 674,
&end
#
# 0 AMB 20-2:735 46 LYS HB- 3.50 (# 735:20 Single Ambig)
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 767, 768, 758,
igr2= 740, 741,
&end
#
# 43 ALA HA 46 LYS HB- 4.50 (# 736:20 Unique 2.33, 3.30 A)
&rst
ixpk= 736, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 740, 741,
&end
#
# 42 LYS HN 0 AMB 20-1:737 4.50 (# 737:20 Single Ambig)
&rst
ixpk= 737, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 673, 674, 673, 674,
&end
#
# 88 LEU HA 0 AMB 20-1:739 2.80 (# 739:20 Single Ambig)
&rst
ixpk= 739, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:740 0 AMB 20-1:740 3.50 (# 740:20 Double Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1394,1395,1486,
igr2=1437,1438,1473,1474,1473,1474,
&end
#
# 91 MET HA 0 AMB 20-1:741 3.50 (# 741:20 Single Ambig)
&rst
ixpk= 741, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:743 0 AMB 20-1:743 2.80 (# 743:20 Double Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 605, 606, 607, 609, 610, 611,2288,2289,2290,2292,
2293,2294,
igr2= 603,2286,
&end
#
# 0 AMB 20-2:744 0 AMB 20-1:744 2.80 (# 744:20 Double Ambig)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 605, 606, 607, 609, 610, 611,2288,2289,2290,2292,
2293,2294,
igr2= 603,2286,
&end
#
# 94 LEU HN 93 VAL HB 4.50 (# 745:20 Unique 2.18, 2.85 A)
&rst
ixpk= 745, nxpk= 20, iat=1512,1500, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 VAL HN 93 VAL HB 3.50 (# 746:20 Unique 1.97, 2.23 A)
&rst
ixpk= 746, nxpk= 20, iat=1496,1500, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:747 93 VAL HB 2.80 (# 747:20 Single Ambig)
&rst
ixpk= 747, nxpk= 20, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1291,1292,1293,1295,1296,1297,1502,1503,1504,1506,
1507,1508,
&end
#
# 0 AMB 20-2:748 93 VAL HB 2.80 (# 748:20 Single Ambig)
&rst
ixpk= 748, nxpk= 20, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1502,1503,1504,1506,1507,1508, 203, 204, 205, 207,
208, 209,
&end
#
# 0 AMB 20-2:749 93 VAL HB 3.50 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2148,2149,2150, 203, 204, 205, 207, 208, 209,2155,
2156,2157,2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:750 0 AMB 20-1:750 2.80 (# 750:20 Double Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2028,2029,2030,2032,2033,2034,1521,1522,1523,1525,
1526,1527,
igr2=2026,1473,1474,
&end
#
# 38 VAL HN 38 VAL HB 3.50 (# 751:20 Unique 2.47, 2.65 A)
&rst
ixpk= 751, nxpk= 20, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 LYS HN 38 VAL HB 3.50 (# 752:20 Unique 1.94, 2.00 A)
&rst
ixpk= 752, nxpk= 20, iat= 615, 603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 VAL HA 125 VAL HB 4.50 (# 754:20 Unique 2.65, 2.87 A)
&rst
ixpk= 754, nxpk= 20, iat=2024,2026, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 VAL MGX 125 VAL HB 2.80 (# 755:20 Unique 2.23, 2.65 A)
&rst
ixpk= 755, nxpk= 20, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2028,2029,2030,2032,2033,2034,
&end
#
# 125 VAL HN 125 VAL HB 2.80 (# 756:20 Unique 1.98, 2.20 A)
&rst
ixpk= 756, nxpk= 20, iat=2022,2026, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 ASP HN 125 VAL HB 3.50 (# 757:20 Unique 2.57, 3.23 A)
&rst
ixpk= 757, nxpk= 20, iat=2038,2026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 MET HA 118 MET HB+ 3.50 (# 758:20 Unique 2.53, 2.85 A)
&rst
ixpk= 758, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1919,1920,
&end
#
# 118 MET HG- 118 MET HB+ 3.50 (# 759:20 Unique 2.27, 2.69 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1922,1923,
igr2=1919,1920,
&end
#
# 118 MET HG+ 118 MET HB- 2.80 (# 760:20 Unique 2.27, 2.69 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1922,1923,
igr2=1919,1920,
&end
#
# 118 MET HG- 118 MET HB- 3.50 (# 761:20 Unique 2.27, 2.69 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1922,1923,
igr2=1919,1920,
&end
#
# 119 GLU HN 118 MET HB+ 4.50 (# 762:20 Unique 2.18, 3.06 A)
&rst
ixpk= 762, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1919,1920,
&end
#
# 118 MET HN 118 MET HB+ 3.50 (# 763:20 Unique 2.10, 2.86 A)
&rst
ixpk= 763, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1919,1920,
&end
#
# 118 MET HG+ 118 MET HB+ 3.50 (# 764:20 Unique 2.27, 2.69 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1922,1923,
igr2=1919,1920,
&end
#
# 149 ARG HN 149 ARG HB+ 3.50 (# 765:20 Unique 2.03, 2.94 A)
&rst
ixpk= 765, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2388,2389,
&end
#
# 149 ARG HA 149 ARG HB+ 2.80 (# 766:20 Unique 2.38, 2.78 A)
&rst
ixpk= 766, nxpk= 20, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2388,2389,
&end
#
# 0 AMB 20-2:767 0 AMB 20-1:767 3.50 (# 767:20 Double Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2394,2395,2394,2395,
igr2=2388,2389,2388,2389,
&end
#
# 0 AMB 20-2:768 0 AMB 20-1:768 3.50 (# 768:20 Double Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
igr2=2388,2389,2388,2389,
&end
#
# 118 MET HN 118 MET HB- 3.50 (# 769:20 Unique 2.10, 2.86 A)
&rst
ixpk= 769, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1919,1920,
&end
#
# 118 MET HA 118 MET HB- 3.50 (# 770:20 Unique 2.53, 2.85 A)
&rst
ixpk= 770, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1919,1920,
&end
#
# 0 AMB 20-2:772 0 AMB 20-1:772 2.80 (# 772:20 Double Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2384,1981,1989,
igr2=2388,2389,1919,1920,
&end
#
# 149 ARG HA 149 ARG HB- 3.50 (# 773:20 Unique 2.38, 2.78 A)
&rst
ixpk= 773, nxpk= 20, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2388,2389,
&end
#
# 0 AMB 20-2:774 149 ARG HB- 4.50 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2394,2395,2394,2395,
igr2=2388,2389,
&end
#
# 116 GLU HG+ 116 GLU HB+ 2.80 (# 776:20 Unique 2.26, 2.72 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1893,1894,
igr2=1890,1891,
&end
#
# 117 ASN HN 116 GLU HB+ 4.50 (# 777:20 Unique 2.57, 3.45 A)
&rst
ixpk= 777, nxpk= 20, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:778 0 AMB 20-1:778 3.50 (# 778:20 Double Ambig)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1886,1910,1911,
igr2=1890,1891,1890,1891,
&end
#
# 0 AMB 20-2:779 0 AMB 20-1:779 2.80 (# 779:20 Double Ambig)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1840,1888,
igr2=1890,1891,1890,1891,
&end
#
# 0 AMB 20-2:780 0 AMB 20-1:780 2.80 (# 780:20 Double Ambig)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2050,2065, 588,
igr2=2054,2055,2054,2055,2054,2055, 641, 642,
&end
#
# 117 ASN HN 116 GLU HB- 4.50 (# 781:20 Unique 2.57, 3.45 A)
&rst
ixpk= 781, nxpk= 20, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:782 116 GLU HB- 2.80 (# 782:20 Single Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1886,1910,1911,
igr2=1890,1891,
&end
#
# 116 GLU HG+ 116 GLU HB- 3.50 (# 783:20 Unique 2.26, 2.72 A)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1893,1894,
igr2=1890,1891,
&end
#
# 0 AMB 20-2:784 0 AMB 20-1:784 2.80 (# 784:20 Double Ambig)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1840,1888, 23,
igr2=1890,1891, 25, 26,
&end
#
# 2 GLU HA 2 GLU HB- 4.50 (# 785:20 Unique 2.39, 2.80 A)
&rst
ixpk= 785, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:786 0 AMB 20-1:786 3.50 (# 786:20 Double Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 325, 326, 325, 326,
igr2=1802,1803,1802,1803,
&end
#
# 0 AMB 20-2:787 0 AMB 20-1:787 2.80 (# 787:20 Double Ambig)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1805,1806,1805,1806,1805,1806,
igr2=1802,1803,1802,1803,1802,1803,
&end
#
# 0 AMB 20-2:788 0 AMB 20-1:788 4.50 (# 788:20 Double Ambig)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 325, 326,1781,1782,1781,1782,
igr2=1802,1803,1802,1803,1802,1803,
&end
#
# 111 LYS HG- 0 AMB 20-1:789 2.80 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1799,1800,
igr2=1802,1803,1802,1803,
&end
#
# 0 AMB 20-2:790 0 AMB 20-1:790 4.50 (# 790:20 Double Ambig)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
igr2=1802,1803,1802,1803,1802,1803,
&end
#
# 146 VAL HN 0 AMB 20-1:791 4.50 (# 791:20 Single Ambig)
&rst
ixpk= 791, nxpk= 20, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2319,2320,2319,2320,
&end
#
# 145 ARG HN 0 AMB 20-1:792 3.50 (# 792:20 Single Ambig)
&rst
ixpk= 792, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2319,2320,2319,2320,
&end
#
# 145 ARG HA 0 AMB 20-1:793 4.50 (# 793:20 Single Ambig)
&rst
ixpk= 793, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2319,2320,2319,2320,
&end
#
# 0 AMB 20-2:794 0 AMB 20-1:794 4.50 (# 794:20 Double Ambig)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2325,2326,2325,2326,2268,
igr2=2319,2320,2319,2320,2319,2320,
&end
#
# 40 GLU HA 40 GLU HB+ 4.50 (# 795:20 Unique 2.47, 2.82 A)
&rst
ixpk= 795, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:796 0 AMB 20-1:796 4.50 (# 796:20 Double Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 639,1038,1039,
igr2= 641, 642, 25, 26,
&end
#
# 86 ASN HN 0 AMB 20-1:798 4.50 (# 798:20 Single Ambig)
&rst
ixpk= 798, nxpk= 20, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1374,1375,1374,1375,
&end
#
# 85 GLU HN 0 AMB 20-1:799 3.50 (# 799:20 Single Ambig)
&rst
ixpk= 799, nxpk= 20, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1374,1375,1374,1375,
&end
#
# 0 AMB 20-2:800 0 AMB 20-1:800 2.80 (# 800:20 Double Ambig)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1377,1378,1377,1378,1377,1378,
igr2=1374,1375,1374,1375,1374,1375,
&end
#
# 144 HIS HN 0 AMB 20-1:802 2.80 (# 802:20 Single Ambig)
&rst
ixpk= 802, nxpk= 20, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2302,2303,2302,2303,
&end
#
# 141 GLN HA 0 AMB 20-1:803 5.50 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:804 0 AMB 20-1:804 4.50 (# 804:20 Double Ambig)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2322,2323,2286,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 144 HIS HD2 0 AMB 20-1:805 4.50 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:806 0 AMB 20-1:806 3.50 (# 806:20 Double Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91,
igr1= 78, 79, 80, 93, 94, 95, 97, 98, 99, 93,
94, 95, 97, 98, 99, 55, 56, 57, 59, 60,
61, 55, 56, 57, 59, 60, 61,
igr2=1374,1375,1374,1375, 107, 108, 25, 26, 25, 26,
1374,1375,1374,1375,
&end
#
# 145 ARG HN 0 AMB 20-1:807 4.50 (# 807:20 Single Ambig)
&rst
ixpk= 807, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:809 66 THR HB 4.50 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1062,1338,
&end
#
# 66 THR MG2 66 THR HB 2.80 (# 810:20 Unique 2.29, 2.69 A)
&rst
ixpk= 810, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1068,1069,1070,
&end
#
# 0 AMB 20-2:811 66 THR HB 2.80 (# 811:20 Single Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1459,1460,1461,1463,1464,1465, 967, 968, 969,
&end
#
# 7 GLU HA 7 GLU HB- 2.80 (# 812:20 Unique 2.43, 2.81 A)
&rst
ixpk= 812, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 107, 108,
&end
#
# 0 AMB 20-2:813 7 GLU HB- 3.50 (# 813:20 Single Ambig)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 119, 120, 119, 120, 136, 137,
igr2= 107, 108,
&end
#
# 7 GLU HN 7 GLU HB+ 3.50 (# 814:20 Unique 2.82, 3.29 A)
&rst
ixpk= 814, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 107, 108,
&end
#
# 7 GLU HA 7 GLU HB+ 3.50 (# 815:20 Unique 2.43, 2.81 A)
&rst
ixpk= 815, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 107, 108,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 3.50 (# 816:20 Double Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 119, 120, 119, 120, 136, 137,
igr2= 107, 108, 107, 108, 107, 108,
&end
#
# 0 AMB 20-2:817 0 AMB 20-1:817 2.80 (# 817:20 Double Ambig)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 110, 111, 110, 111,
igr2= 107, 108, 107, 108,
&end
#
# 0 AMB 20-2:818 0 AMB 20-1:818 3.50 (# 818:20 Double Ambig)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,1876,1877,1878,1880,1881,1882,
igr2= 107, 108, 107, 108,1818,1819,
&end
#
# 0 AMB 20-2:819 109 VAL HB 4.50 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1761,1682,
&end
#
# 109 VAL MGX 109 VAL HB 2.80 (# 820:20 Unique 2.23, 2.65 A)
&rst
ixpk= 820, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:821 109 VAL HB 2.80 (# 821:20 Single Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1627,1628,1629,1631,1632,1633,1857,1858,
1859,1861,1862,1863,1767,1768,1769,1771,1772,1773,
&end
#
# 112 ARG HN 112 ARG HB+ 2.80 (# 822:20 Unique 2.02, 2.78 A)
&rst
ixpk= 822, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1818,1819,
&end
#
# 113 ALA HN 112 ARG HB+ 4.50 (# 823:20 Unique 2.35, 3.23 A)
&rst
ixpk= 823, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1818,1819,
&end
#
# 112 ARG HA 112 ARG HB+ 2.80 (# 824:20 Unique 2.28, 2.71 A)
&rst
ixpk= 824, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1818,1819,
&end
#
# 0 AMB 20-2:825 0 AMB 20-1:825 3.50 (# 825:20 Double Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1824,1825,1824,1825,
igr2=1818,1819,1818,1819,
&end
#
# 112 ARG HN 112 ARG HB- 3.50 (# 827:20 Unique 2.02, 2.78 A)
&rst
ixpk= 827, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1818,1819,
&end
#
# 0 AMB 20-2:828 0 AMB 20-1:828 4.50 (# 828:20 Double Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 504, 509,1838,
igr2= 461, 462,1818,1819,
&end
#
# 112 ARG HA 112 ARG HB- 2.80 (# 829:20 Unique 2.28, 2.71 A)
&rst
ixpk= 829, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1818,1819,
&end
#
# 0 AMB 20-2:830 112 ARG HB- 3.50 (# 830:20 Single Ambig)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1824,1825,1824,1825,
igr2=1818,1819,
&end
#
# 14 LYS HA 0 AMB 20-1:832 4.50 (# 832:20 Single Ambig)
&rst
ixpk= 832, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 223, 224, 223, 224,
&end
#
# 0 AMB 20-2:833 0 AMB 20-1:833 3.50 (# 833:20 Double Ambig)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1805,1806, 464, 465,
igr2=1818,1819, 461, 462,
&end
#
# 0 AMB 20-2:834 0 AMB 20-1:834 4.50 (# 834:20 Double Ambig)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 615, 527, 652, 515, 143, 162,
igr2= 679, 680, 625, 626, 223, 224, 223, 224, 679, 680,
223, 224, 223, 224,
&end
#
# 0 AMB 20-2:835 0 AMB 20-1:835 2.80 (# 835:20 Double Ambig)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 628, 629, 628, 629, 464, 465,1738,1739,1738,1739,
1738,1739,
igr2= 625, 626, 625, 626, 461, 462,1735,1736,1735,1736,
1735,1736,
&end
#
# 0 AMB 20-2:838 0 AMB 20-1:838 4.50 (# 838:20 Double Ambig)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2315,1747,
igr2=2322,2323,1735,1736,1735,1736,
&end
#
# 0 AMB 20-2:839 0 AMB 20-1:839 4.50 (# 839:20 Double Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 502, 511, 431, 435,
igr2= 461, 462, 461, 462,
&end
#
# 0 AMB 20-2:840 0 AMB 20-1:840 2.80 (# 840:20 Double Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1052,1053,1054,1056,1057,1058, 152, 153, 154, 156,
157, 158, 152, 153, 154, 156, 157, 158, 458, 459,
igr2= 223, 224, 223, 224, 223, 224, 223, 224, 461, 462,
&end
#
# 0 AMB 20-2:841 145 ARG HG- 4.50 (# 841:20 Single Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2325,2326,2394,2395,2394,2395,
igr2=2322,2323,
&end
#
# 29 LYS HA 29 LYS HD- 4.50 (# 842:20 Unique 1.96, 3.06 A)
&rst
ixpk= 842, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 461, 462,
&end
#
# 29 LYS HE- 29 LYS HD- 3.50 (# 843:20 Unique 2.27, 2.73 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 464, 465,
igr2= 461, 462,
&end
#
# 0 AMB 20-2:844 29 LYS HD- 3.50 (# 844:20 Single Ambig)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 458, 459, 458, 459,
igr2= 461, 462,
&end
#
# 80 ILE HN 80 ILE HG1- 4.50 (# 845:20 Unique 1.82, 3.11 A)
&rst
ixpk= 845, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 0 AMB 20-2:846 0 AMB 20-1:846 2.80 (# 846:20 Double Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,1052,1053,1054,1056,1057,1058, 239, 240,
241,1314,1315,1316,
igr2=1311,1312, 223, 224, 223, 224,
&end
#
# 44 PHE HE 80 ILE HG1- 4.50 (# 847:20 Unique 2.02, 5.08 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 711, 715,
igr2=1311,1312,
&end
#
# 0 AMB 20-2:848 0 AMB 20-1:848 2.80 (# 848:20 Double Ambig)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 453,1322,1323,
igr2= 461, 462, 223, 224, 223, 224,
&end
#
# 0 AMB 20-2:849 0 AMB 20-1:849 3.50 (# 849:20 Double Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2325,2326,2394,2395,2394,2395,2302,2303,
igr2=2322,2323,2322,2323,2322,2323,2322,2323,
&end
#
# 80 ILE HN 80 ILE HG1+ 4.50 (# 850:20 Unique 1.82, 3.11 A)
&rst
ixpk= 850, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 80 ILE HB 80 ILE HG1+ 4.50 (# 851:20 Unique 2.23, 2.75 A)
&rst
ixpk= 851, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 80 ILE HA 80 ILE HG1+ 4.50 (# 852:20 Unique 2.24, 3.06 A)
&rst
ixpk= 852, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 0 AMB 20-2:853 0 AMB 20-1:853 2.80 (# 853:20 Double Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1291,1292,1293,1295,1296,1297,1291,1292,1293,1295,
1296,1297, 251, 252, 253, 258, 259, 260,
igr2= 255, 256, 255, 256, 255, 256, 255, 256,
&end
#
# 35 TYR HN 34 THR HB 4.50 (# 855:20 Unique 2.06, 2.83 A)
&rst
ixpk= 855, nxpk= 20, iat= 553, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 THR HN 34 THR HB 4.50 (# 856:20 Unique 2.07, 3.20 A)
&rst
ixpk= 856, nxpk= 20, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 THR HA 34 THR HB 3.50 (# 857:20 Unique 2.46, 2.79 A)
&rst
ixpk= 857, nxpk= 20, iat= 541, 543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 THR MG2 34 THR HB 2.80 (# 858:20 Unique 2.28, 2.69 A)
&rst
ixpk= 858, nxpk= 20, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 545, 546, 547,
&end
#
# 87 GLU HN 87 GLU HB+ 4.50 (# 859:20 Unique 2.77, 3.54 A)
&rst
ixpk= 859, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1403,1404,
&end
#
# 87 GLU HN 87 GLU HB- 4.50 (# 860:20 Unique 2.77, 3.54 A)
&rst
ixpk= 860, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1403,1404,
&end
#
# 119 GLU HN 0 AMB 20-1:861 2.80 (# 861:20 Single Ambig)
&rst
ixpk= 861, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1936,1937,1936,1937,
&end
#
# 122 PHE HE 0 AMB 20-1:862 4.50 (# 862:20 Single Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1983,1987,
igr2=1936,1937,1936,1937,
&end
#
# 66 THR MG2 87 GLU HB- 2.80 (# 864:20 Unique 1.98, 3.21 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1068,1069,1070,
igr2=1403,1404,
&end
#
# 0 AMB 20-2:865 87 GLU HB- 2.80 (# 865:20 Single Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1459,1460,1461,1463,1464,1465, 967, 968, 969,
igr2=1403,1404,
&end
#
# 145 ARG HN 145 ARG HG- 4.50 (# 866:20 Unique 1.94, 3.45 A)
&rst
ixpk= 866, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2322,2323,
&end
#
# 0 AMB 20-2:867 16 ILE HG1- 2.80 (# 867:20 Single Ambig)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1291,1292,1293,1295,1296,1297, 251, 252, 253, 258,
259, 260,
igr2= 255, 256,
&end
#
# 0 AMB 20-2:868 0 AMB 20-1:868 3.50 (# 868:20 Double Ambig)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1291,1292,1293,1295,1296,1297,2345,2346,2347,2349,
2350,2351,2345,2346,2347,2349,2350,2351, 251, 252,
253,
igr2= 255, 256,2322,2323,
&end
#
# 0 AMB 20-2:869 0 AMB 20-1:869 5.50 (# 869:20 Double Ambig)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 669, 721,
igr2= 679, 680, 746, 747, 746, 747,
&end
#
# 80 ILE QG2 80 ILE HG1+ 3.50 (# 872:20 Unique 2.01, 3.31 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1307,1308,1309,
igr2=1311,1312,
&end
#
# 0 AMB 20-2:873 0 AMB 20-1:873 2.80 (# 873:20 Double Ambig)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1459,1460,1461,1463,1464,1465,2288,2289,2290,2292,
2293,2294, 967, 968, 969,
igr2=1403,1404,1652,1653,1652,1653,1403,1404,
&end
#
# 143 VAL MGY 0 AMB 20-1:874 2.80 (# 874:20 Single Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1652,1653,1652,1653,
&end
#
# 120 GLY HN 0 AMB 20-1:875 3.50 (# 875:20 Single Ambig)
&rst
ixpk= 875, nxpk= 20, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1936,1937,1936,1937,
&end
#
# 0 AMB 20-2:876 0 AMB 20-1:876 2.80 (# 876:20 Double Ambig)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1331,1332,1934,
igr2=1403,1404,1936,1937,1936,1937,
&end
#
# 119 GLU HN 0 AMB 20-1:877 2.80 (# 877:20 Single Ambig)
&rst
ixpk= 877, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1936,1937,1936,1937,
&end
#
# 120 GLY HN 0 AMB 20-1:878 3.50 (# 878:20 Single Ambig)
&rst
ixpk= 878, nxpk= 20, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1936,1937,1936,1937,
&end
#
# 145 ARG HA 145 ARG HG- 2.80 (# 879:20 Unique 2.03, 2.71 A)
&rst
ixpk= 879, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2322,2323,
&end
#
# 54 ARG HG+ 54 ARG HB+ 3.50 (# 880:20 Unique 2.27, 2.75 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 885, 886,
igr2= 882, 883,
&end
#
# 51 LYS HA 0 AMB 20-1:881 2.80 (# 881:20 Single Ambig)
&rst
ixpk= 881, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 835, 836, 835, 836,
&end
#
# 0 AMB 20-2:882 0 AMB 20-1:882 3.50 (# 882:20 Double Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 473,2339, 983, 494,
igr2= 461, 462,2322,2323, 835, 836, 835, 836, 461, 462,
&end
#
# 75 LEU HB+ 75 LEU HG 2.80 (# 883:20 Unique 2.36, 2.63 A)
&rst
ixpk= 883, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1208,1209,
&end
#
# 103 GLN HN 0 AMB 20-1:884 2.80 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1652,1653,1652,1653,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 2.80 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1331,1332,1650,2234,
igr2=1403,1404,1652,1653,1652,1653,1652,1653,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 2.80 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1655,1656,2239,2240,2256,2257,2256,2257,1655,1656,
1655,1656,2239,2240,
igr2=2236,2237,2236,2237,2253,2254,2253,2254,1652,1653,
1652,1653,
&end
#
# 0 AMB 20-2:887 0 AMB 20-1:887 2.80 (# 887:20 Double Ambig)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1406,1407,1406,1407,1655,1656, 728, 729,
igr2=1403,1404,1403,1404,1652,1653,1652,1653, 725, 726,
&end
#
# 0 AMB 20-2:888 0 AMB 20-1:888 3.50 (# 888:20 Double Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 880, 827,
igr2= 882, 883, 882, 883,
&end
#
# 0 AMB 20-2:889 0 AMB 20-1:889 3.50 (# 889:20 Double Ambig)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 888, 889, 888, 889,
igr2= 882, 883, 882, 883,
&end
#
# 54 ARG HG- 54 ARG HB+ 3.50 (# 891:20 Unique 2.27, 2.75 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 885, 886,
igr2= 882, 883,
&end
#
# 0 AMB 20-2:892 0 AMB 20-1:892 4.50 (# 892:20 Double Ambig)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 825,2180,
igr2= 835, 836, 835, 836,2152,2153,2152,2153,
&end
#
# 50 ASN HD2- 0 AMB 20-1:893 4.50 (# 893:20 Single Ambig)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 820, 821,
igr2= 835, 836, 835, 836,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 2.80 (# 894:20 Double Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 617,1166,1167, 738,
igr2= 679, 680,1183,1184, 746, 747, 746, 747,
&end
#
# 0 AMB 20-2:895 0 AMB 20-1:895 2.80 (# 895:20 Double Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 838, 839, 749, 750, 749, 750, 749, 750,
igr2= 835, 836, 835, 836, 746, 747, 746, 747, 746, 747,
&end
#
# 0 AMB 20-2:896 0 AMB 20-1:896 2.80 (# 896:20 Double Ambig)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1006,1007,1006,1007,1006,1007, 832, 833, 832, 833,
832, 833, 743, 744, 743, 744, 743, 744,
igr2= 835, 836, 835, 836, 835, 836, 835, 836, 835, 836,
746, 747, 746, 747, 746, 747,
&end
#
# 125 VAL HN 125 VAL HA 4.50 (# 898:20 Unique 2.71, 2.77 A)
&rst
ixpk= 898, nxpk= 20, iat=2022,2024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 GLN HA 0 AMB 20-1:899 2.80 (# 899:20 Single Ambig)
&rst
ixpk= 899, nxpk= 20, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2253,2254,2253,2254,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 2.80 (# 900:20 Double Ambig)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1665,2232,
igr2=1652,1653,1652,1653,2236,2237,
&end
#
# 0 AMB 20-2:901 0 AMB 20-1:901 4.50 (# 901:20 Double Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2244,2245,2261,2262,
igr2=2236,2237,2253,2254,2253,2254,2236,2237,2253,2254,
&end
#
# 0 AMB 20-2:902 45 GLU HB- 5.50 (# 902:20 Single Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 671, 738,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 2.80 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1177,1500,
igr2=1183,1184,2152,2153,2152,2153,
&end
#
# 46 LYS HN 0 AMB 20-1:904 4.50 (# 904:20 Single Ambig)
&rst
ixpk= 904, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 746, 747, 746, 747,
&end
#
# 108 ASN HB+ 73 ILE HG1+ 4.50 (# 905:20 Unique 1.98, 4.49 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1751,1752,
igr2=1183,1184,
&end
#
# 0 AMB 20-2:906 0 AMB 20-1:906 2.80 (# 906:20 Double Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1133,1134,1142,1143,
igr2=1139,1140,1139,1140,
&end
#
# 0 AMB 20-2:907 0 AMB 20-1:907 3.50 (# 907:20 Double Ambig)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1133,1134,1516,1517,
igr2=1139,1140,1139,1140,
&end
#
# 70 LYS HE+ 70 LYS HD- 4.50 (# 908:20 Unique 2.27, 2.73 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1142,1143,
igr2=1139,1140,
&end
#
# 0 AMB 20-2:909 70 LYS HD- 4.50 (# 909:20 Single Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1133,1134,1516,1517,
igr2=1139,1140,
&end
#
# 0 AMB 20-2:910 125 VAL HA 4.50 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2026,1560,1561,
&end
#
# 125 VAL MGX 125 VAL HA 2.80 (# 911:20 Unique 1.99, 3.22 A)
&rst
ixpk= 911, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:912 125 VAL HA 2.80 (# 912:20 Single Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2028,2029,2030,2032,2033,2034,2078,2079,2080,
&end
#
# 141 GLN HN 140 GLN HB- 4.50 (# 913:20 Unique 2.51, 3.90 A)
&rst
ixpk= 913, nxpk= 20, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2236,2237,
&end
#
# 140 GLN HA 140 GLN HB- 2.80 (# 914:20 Unique 2.35, 2.51 A)
&rst
ixpk= 914, nxpk= 20, iat=2234, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2236,2237,
&end
#
# 0 AMB 20-2:915 140 GLN HB- 2.80 (# 915:20 Single Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1655,1656,2239,2240,
igr2=2236,2237,
&end
#
# 0 AMB 20-2:916 0 AMB 20-1:916 4.50 (# 916:20 Double Ambig)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 361, 362,1926,1927,1928, 557, 558,
igr2= 725, 726, 409,
&end
#
# 73 ILE HN 73 ILE HG1+ 4.50 (# 917:20 Unique 2.25, 3.17 A)
&rst
ixpk= 917, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 0 AMB 20-2:918 0 AMB 20-1:918 3.50 (# 918:20 Double Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1175,2199,2200,
igr2=1183,1184,2152,2153,2152,2153,
&end
#
# 0 AMB 20-2:920 0 AMB 20-1:920 4.50 (# 920:20 Double Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1749,1164, 185,1064,
igr2=1183,1184,1183,1184,2152,2153,2152,2153, 964, 965,
&end
#
# 73 ILE HN 73 ILE HG1- 4.50 (# 921:20 Unique 2.25, 3.17 A)
&rst
ixpk= 921, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 73 ILE HA 73 ILE HG1- 3.50 (# 922:20 Unique 2.59, 3.11 A)
&rst
ixpk= 922, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1183,1184,
&end
#
# 73 ILE HB 73 ILE HG1- 3.50 (# 923:20 Unique 2.62, 2.85 A)
&rst
ixpk= 923, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1183,1184,
&end
#
# 73 ILE QD1 73 ILE HG1- 2.80 (# 925:20 Unique 2.26, 2.67 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1186,1187,1188,
igr2=1183,1184,
&end
#
# 140 GLN HN 140 GLN HB- 3.50 (# 926:20 Unique 2.10, 3.03 A)
&rst
ixpk= 926, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2236,2237,
&end
#
# 0 AMB 20-2:927 0 AMB 20-1:927 2.80 (# 927:20 Double Ambig)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1665,2232,
igr2=1652,1653,1652,1653,2236,2237,
&end
#
# 0 AMB 20-2:928 26 LEU HG 4.50 (# 928:20 Single Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 421,1867,
&end
#
# 26 LEU HN 26 LEU HG 4.50 (# 929:20 Unique 1.93, 2.33 A)
&rst
ixpk= 929, nxpk= 20, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HA 26 LEU HG 3.50 (# 930:20 Unique 2.33, 2.79 A)
&rst
ixpk= 930, nxpk= 20, iat= 404, 409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:931 26 LEU HG 4.50 (# 931:20 Single Ambig)
&rst
ixpk= 931, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 370, 371, 325, 326,
&end
#
# 0 AMB 20-2:932 26 LEU HG 2.80 (# 932:20 Single Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 406, 407, 406, 407,1799,1800,
&end
#
# 0 AMB 20-2:933 26 LEU HG 2.80 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,
&end
#
# 0 AMB 20-2:934 0 AMB 20-1:934 2.80 (# 934:20 Double Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=1011,1012,1013,1015,1016,1017,1186,1187,1188,2090,
2091,2092,2094,2095,2096,1502,1503,1504,1506,1507,
1508,2132,2133,2134,2136,2137,2138,
igr2= 835, 836, 835, 836,1183,1184,2152,2153,2152,2153,
2152,2153,2152,2153,
&end
#
# 60 ALA HN 59 ILE HG1+ 4.50 (# 935:20 Unique 1.97, 3.43 A)
&rst
ixpk= 935, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 964, 965,
&end
#
# 59 ILE HN 59 ILE HG1+ 4.50 (# 936:20 Unique 3.88, 4.69 A)
&rst
ixpk= 936, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 964, 965,
&end
#
# 59 ILE HA 59 ILE HG1+ 4.50 (# 937:20 Unique 2.00, 2.80 A)
&rst
ixpk= 937, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 964, 965,
&end
#
# 60 ALA HN 59 ILE HG1- 4.50 (# 939:20 Unique 1.97, 3.43 A)
&rst
ixpk= 939, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 964, 965,
&end
#
# 59 ILE HA 59 ILE HG1- 4.50 (# 940:20 Unique 2.00, 2.80 A)
&rst
ixpk= 940, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 964, 965,
&end
#
# 0 AMB 20-2:941 59 ILE HG1- 4.50 (# 941:20 Single Ambig)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1096,1406,1407,
igr2= 964, 965,
&end
#
# 0 AMB 20-2:942 59 ILE HG1- 3.50 (# 942:20 Single Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1403,1404,1480,1481,1482,
igr2= 964, 965,
&end
#
# 0 AMB 20-2:944 59 ILE HG1- 2.80 (# 944:20 Single Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 960, 961, 962, 992, 993, 994, 996, 997, 998, 992,
993, 994, 996, 997, 998, 967, 968, 969,
igr2= 964, 965,
&end
#
# 0 AMB 20-2:945 59 ILE HG1- 5.50 (# 945:20 Single Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1454,1455, 977, 978, 979,
igr2= 964, 965,
&end
#
# 35 TYR HN 34 THR HA 4.50 (# 946:20 Unique 3.62, 3.63 A)
&rst
ixpk= 946, nxpk= 20, iat= 553, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 THR HN 34 THR HA 4.50 (# 947:20 Unique 2.22, 2.78 A)
&rst
ixpk= 947, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 THR MG2 34 THR HA 2.80 (# 948:20 Unique 2.16, 3.14 A)
&rst
ixpk= 948, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 545, 546, 547,
&end
#
# 105 LEU HN 105 LEU HG 4.50 (# 949:20 Unique 2.24, 3.19 A)
&rst
ixpk= 949, nxpk= 20, iat=1682,1689, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 LEU HA 105 LEU HG 3.50 (# 950:20 Unique 2.34, 3.53 A)
&rst
ixpk= 950, nxpk= 20, iat=1684,1689, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:951 105 LEU HG 2.80 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1767,1768,1769,1771,1772,1773,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:952 142 VAL HA 4.50 (# 952:20 Single Ambig)
&rst
ixpk= 952, nxpk= 20, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2272,2273,2274,2276,2277,2278,2272,2273,2274,2276,
2277,2278,
&end
#
# 0 AMB 20-2:955 19 LEU HG 2.80 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 106 ARG HN 106 ARG HB- 3.50 (# 956:20 Unique 2.58, 3.29 A)
&rst
ixpk= 956, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1705,1706,
&end
#
# 93 VAL HN 93 VAL HA 4.50 (# 957:20 Unique 2.70, 2.80 A)
&rst
ixpk= 957, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLU HN 63 GLU HB+ 4.50 (# 959:20 Unique 2.21, 3.52 A)
&rst
ixpk= 959, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 139 PRO HD- 139 PRO HG+ 3.50 (# 960:20 Unique 2.30, 2.59 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2219,2220,
igr2=2222,2223,
&end
#
# 0 AMB 20-2:961 0 AMB 20-1:961 4.50 (# 961:20 Double Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1599,1600,2225,2226,
igr2=2222,2223,2222,2223,
&end
#
# 65 LEU MDY 63 GLU HB+ 5.50 (# 962:20 Unique 2.01, 4.68 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1052,1053,1054,1056,1057,1058,
igr2=1025,1026,
&end
#
# 140 GLN HN 139 PRO HG- 4.50 (# 963:20 Unique 2.19, 3.05 A)
&rst
ixpk= 963, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2222,2223,
&end
#
# 139 PRO HD- 139 PRO HG- 3.50 (# 964:20 Unique 2.30, 2.59 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2219,2220,
igr2=2222,2223,
&end
#
# 0 AMB 20-2:965 139 PRO HG- 4.50 (# 965:20 Single Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1599,1600,2225,2226,
igr2=2222,2223,
&end
#
# 8 PRO HB- 0 AMB 20-1:966 2.80 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 125, 126,
igr2= 122, 123, 122, 123,
&end
#
# 0 AMB 20-2:967 0 AMB 20-1:967 3.50 (# 967:20 Double Ambig)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 128, 86, 134,
igr2= 122, 123, 122, 123, 122, 123, 122, 123,
&end
#
# 0 AMB 20-2:968 0 AMB 20-1:968 2.80 (# 968:20 Double Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 119, 120, 119, 120, 119, 120,
igr2= 122, 123, 122, 123, 122, 123,
&end
#
# 7 GLU HA 0 AMB 20-1:969 4.50 (# 969:20 Single Ambig)
&rst
ixpk= 969, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 122, 123, 122, 123,
&end
#
# 61 LEU HA 61 LEU HG 4.50 (# 970:20 Unique 2.08, 2.86 A)
&rst
ixpk= 970, nxpk= 20, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 LEU HN 61 LEU HG 5.50 (# 971:20 Unique 2.07, 4.04 A)
&rst
ixpk= 971, nxpk= 20, iat= 983, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ARG HA 106 ARG HB- 2.80 (# 972:20 Unique 2.39, 2.79 A)
&rst
ixpk= 972, nxpk= 20, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1705,1706,
&end
#
# 122 PHE HD 121 LEU HG 4.50 (# 976:20 Unique 1.99, 4.30 A)
&rst
ixpk= 976, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1981,1989,
&end
#
# 0 AMB 20-2:977 121 LEU HG 4.50 (# 977:20 Single Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1958,1959,1926,1927,1928,
&end
#
# 121 LEU MDX 121 LEU HG 2.80 (# 978:20 Unique 2.21, 2.64 A)
&rst
ixpk= 978, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 121 LEU HA 121 LEU HG 4.50 (# 979:20 Unique 3.56, 3.62 A)
&rst
ixpk= 979, nxpk= 20, iat=1956,1961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:980 93 VAL MGY 3.50 (# 980:20 Single Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 255, 256,1519,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 111 LYS HN 75 LEU HG 5.50 (# 981:20 Unique 3.67, 4.76 A)
&rst
ixpk= 981, nxpk= 20, iat=1792,1211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 VAL MGY 93 VAL HA 2.80 (# 982:20 Unique 2.00, 3.18 A)
&rst
ixpk= 982, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:983 0 AMB 20-1:983 2.80 (# 983:20 Double Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1023,1609,
igr2=1025,1026,2222,2223,
&end
#
# 0 AMB 20-2:984 0 AMB 20-1:984 3.50 (# 984:20 Double Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1050,2225,2226,
igr2=1025,1026,2222,2223,
&end
#
# 63 GLU HN 63 GLU HB- 4.50 (# 985:20 Unique 2.21, 3.52 A)
&rst
ixpk= 985, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 63 GLU HA 63 GLU HB- 3.50 (# 986:20 Unique 2.67, 2.87 A)
&rst
ixpk= 986, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:988 139 PRO HG- 3.50 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1547,2219,2220,
igr2=2222,2223,
&end
#
# 0 AMB 20-2:989 0 AMB 20-1:989 4.50 (# 989:20 Double Ambig)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1050,2225,2226,
igr2=1025,1026,2222,2223,
&end
#
# 0 AMB 20-2:990 0 AMB 20-1:990 3.50 (# 990:20 Double Ambig)
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1711,1712,1711,1712,
igr2=1705,1706,1705,1706,
&end
#
# 115 LEU HN 115 LEU HG 4.50 (# 992:20 Unique 3.02, 3.40 A)
&rst
ixpk= 992, nxpk= 20, iat=1867,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 LEU HB- 115 LEU HG 2.80 (# 993:20 Unique 2.49, 2.80 A)
&rst
ixpk= 993, nxpk= 20, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1871,1872,
&end
#
# 88 LEU HN 88 LEU HG 2.80 (# 994:20 Unique 1.94, 2.46 A)
&rst
ixpk= 994, nxpk= 20, iat=1414,1421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 MET HN 88 LEU HG 5.50 (# 995:20 Unique 1.85, 4.12 A)
&rst
ixpk= 995, nxpk= 20, iat=1433,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:996 0 AMB 20-1:996 4.50 (# 996:20 Double Ambig)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1406,1407,1406,1407, 125, 126,
igr2=1421, 150,
&end
#
# 0 AMB 20-2:997 0 AMB 20-1:997 2.80 (# 997:20 Double Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1857,1858,1859,1861,1862,1863,1423,1424,1425,1427,
1428,1429,1423,1424,1425,1427,1428,1429, 152, 153,
154, 156, 157, 158,2345,2346,2347,2349,2350,2351,
igr2=1855,1421, 150,2391,2392,2391,2392,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 2.80 (# 998:20 Double Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1876,1877,1878,1880,1881,1882, 78, 79, 80, 55,
56, 57, 59, 60, 61, 55, 56, 57, 59, 60,
61,
igr2=1821,1822, 53,
&end
#
# 5 ILE HB 5 ILE HG1+ 2.80 (# 1000:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1000, nxpk= 20, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 75, 76,
&end
#
# 0 AMB 20-2:1002 94 LEU HG 3.50 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1480,1481,1482,1516,1517,
&end
#
# 0 AMB 20-2:1003 0 AMB 20-1:1003 2.80 (# 1003:20 Double Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1011,1012,1013,1015,1016,1017,1521,1522,1523,1525,
1526,1527,1565,1566,1567,1569,1570,1571,1565,1566,
1567,1569,1570,1571,1136,1137,1052,1053,1054,1056,
1057,1058,
igr2=1009,1519,1563,
&end
#
# 0 AMB 20-2:1004 0 AMB 20-1:1004 2.80 (# 1004:20 Double Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1627,1628,1629,1631,1632,1633,1011,1012,1013,1015,
1016,1017,1521,1522,1523,1525,1526,1527,
igr2=1563,1009,1519,
&end
#
# 0 AMB 20-2:1005 0 AMB 20-1:1005 4.50 (# 1005:20 Double Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1558,1514,
igr2=1563,1519,
&end
#
# 75 LEU HN 75 LEU HG 4.50 (# 1006:20 Unique 4.18, 4.53 A)
&rst
ixpk= 1006, nxpk= 20, iat=1204,1211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 PHE HD 75 LEU HG 4.50 (# 1007:20 Unique 2.58, 4.77 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1252,1260,
&end
#
# 77 PHE HE 75 LEU HG 3.50 (# 1008:20 Unique 1.99, 4.12 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1254,1258,
&end
#
# 75 LEU HA 75 LEU HG 4.50 (# 1009:20 Unique 2.57, 3.47 A)
&rst
ixpk= 1009, nxpk= 20, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HA 75 LEU HG 5.50 (# 1010:20 Unique 3.84, 4.49 A)
&rst
ixpk= 1010, nxpk= 20, iat=1779,1211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LYS HA 75 LEU HG 5.50 (# 1011:20 Unique 2.40, 3.67 A)
&rst
ixpk= 1011, nxpk= 20, iat=1794,1211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1012 75 LEU HG 5.50 (# 1012:20 Single Ambig)
&rst
ixpk= 1012, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1855,1852,1853,1796,1797,
&end
#
# 0 AMB 20-2:1013 75 LEU HG 5.50 (# 1013:20 Single Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1852,1853, 406, 407,
&end
#
# 18 ILE QG2 75 LEU HG 4.50 (# 1014:20 Unique 2.82, 3.49 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 289, 290, 291,
&end
#
# 0 AMB 20-2:1015 0 AMB 20-1:1015 2.80 (# 1015:20 Double Ambig)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,1459,1460,1461,1463,1464,1465,1098,1099,
1100,1102,1103,1104,
igr2=1874,1457,
&end
#
# 0 AMB 20-2:1016 0 AMB 20-1:1016 4.50 (# 1016:20 Double Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1893,1894,1406,1407,1406,1407,
igr2=1874,1457,
&end
#
# 149 ARG HN 0 AMB 20-1:1017 2.80 (# 1017:20 Single Ambig)
&rst
ixpk= 1017, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2391,2392,2391,2392,
&end
#
# 0 AMB 20-2:1018 0 AMB 20-1:1018 2.80 (# 1018:20 Double Ambig)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2386,1416,
igr2=2391,2392,2391,2392,1421,
&end
#
# 0 AMB 20-2:1019 0 AMB 20-1:1019 3.50 (# 1019:20 Double Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1=2341,1639,1641,1642,1641,1642,1641,1642,1342,1343,
igr2=2391,2392,2391,2392,1708,1709,1708,1709,1708,1709,
1708,1709,1421,
&end
#
# 0 AMB 20-2:1020 0 AMB 20-1:1020 2.80 (# 1020:20 Double Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1824,1825,1824,1825,1711,1712,1711,1712,1711,1712,
2394,2395,2394,2395,2394,2395,
igr2=1821,1822,1708,1709,1708,1709,1708,1709,2391,2392,
2391,2392,2391,2392,
&end
#
# 0 AMB 20-2:1021 0 AMB 20-1:1021 4.50 (# 1021:20 Double Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 601, 654,
igr2= 656, 657, 656, 657,
&end
#
# 0 AMB 20-2:1022 0 AMB 20-1:1022 3.50 (# 1022:20 Double Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 48,1840,
igr2= 53,1821,1822,
&end
#
# 64 GLY HA- 61 LEU HG 5.50 (# 1023:20 Unique 2.30, 5.28 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1038,1039,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 2.80 (# 1026:20 Double Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 71, 72, 73, 93, 94, 95, 97, 98, 99, 93,
94, 95, 97, 98, 99, 78, 79, 80, 55, 56,
57, 59, 60, 61,
igr2= 75, 76, 91, 75, 76, 75, 76,
&end
#
# 5 ILE HA 5 ILE HG1+ 4.50 (# 1027:20 Unique 2.20, 2.92 A)
&rst
ixpk= 1027, nxpk= 20, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 75, 76,
&end
#
# 17 LEU HB+ 17 LEU HG 3.50 (# 1028:20 Unique 2.45, 2.80 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 268, 269,
&end
#
# 80 ILE QD1 17 LEU HG 2.80 (# 1029:20 Unique 2.07, 3.17 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1314,1315,1316,
&end
#
# 17 LEU MDY 17 LEU HG 2.80 (# 1030:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 273, 274, 275, 277, 278, 279,
&end
#
# 17 LEU HN 17 LEU HG 4.50 (# 1031:20 Unique 2.06, 2.37 A)
&rst
ixpk= 1031, nxpk= 20, iat= 264, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HN 5 ILE HG1- 4.50 (# 1032:20 Unique 1.90, 3.72 A)
&rst
ixpk= 1032, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 75, 76,
&end
#
# 45 GLU HA 48 ILE HG1- 4.50 (# 1033:20 Unique 1.98, 2.77 A)
&rst
ixpk= 1033, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 48 ILE QG2 48 ILE HG1- 3.50 (# 1034:20 Unique 2.58, 3.65 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 778, 779, 780,
igr2= 782, 783,
&end
#
# 48 ILE HN 48 ILE HG1+ 3.50 (# 1035:20 Unique 2.14, 3.27 A)
&rst
ixpk= 1035, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:1036 0 AMB 20-1:1036 5.50 (# 1036:20 Double Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 145,1840,1917,2367,
igr2= 150,1821,1822,1855,2391,2392,2391,2392,
&end
#
# 0 AMB 20-2:1037 0 AMB 20-1:1037 3.50 (# 1037:20 Double Ambig)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1816,1703,1850,
igr2=1821,1822,1708,1709,1708,1709,1855,
&end
#
# 112 ARG HN 112 ARG HG- 4.50 (# 1038:20 Unique 1.94, 3.43 A)
&rst
ixpk= 1038, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1821,1822,
&end
#
# 0 AMB 20-2:1039 0 AMB 20-1:1039 4.50 (# 1039:20 Double Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1838,1272,1281,
igr2=1821,1822, 309,
&end
#
# 112 ARG HN 112 ARG HG+ 4.50 (# 1040:20 Unique 1.94, 3.43 A)
&rst
ixpk= 1040, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1821,1822,
&end
#
# 113 ALA HN 112 ARG HG+ 4.50 (# 1041:20 Unique 1.92, 3.73 A)
&rst
ixpk= 1041, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1821,1822,
&end
#
# 112 ARG HA 112 ARG HG+ 3.50 (# 1042:20 Unique 2.10, 3.06 A)
&rst
ixpk= 1042, nxpk= 20, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1821,1822,
&end
#
# 0 AMB 20-2:1044 0 AMB 20-1:1044 4.50 (# 1044:20 Double Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1372,2163,
igr2= 75, 76,2168,
&end
#
# 5 ILE HN 5 ILE HG1+ 2.80 (# 1045:20 Unique 1.90, 3.72 A)
&rst
ixpk= 1045, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 75, 76,
&end
#
# 0 AMB 20-2:1046 54 ARG HG- 5.50 (# 1046:20 Single Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 880, 827,
igr2= 885, 886,
&end
#
# 48 ILE HN 48 ILE HG1- 3.50 (# 1047:20 Unique 2.14, 3.27 A)
&rst
ixpk= 1047, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 782, 783,
&end
#
# 48 ILE HA 48 ILE HG1- 4.50 (# 1048:20 Unique 1.98, 3.00 A)
&rst
ixpk= 1048, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 48 ILE HB 48 ILE HG1- 4.50 (# 1049:20 Unique 2.23, 2.46 A)
&rst
ixpk= 1049, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 48 ILE HA 48 ILE HG1+ 4.50 (# 1051:20 Unique 1.98, 3.00 A)
&rst
ixpk= 1051, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:1052 0 AMB 20-1:1052 4.50 (# 1052:20 Double Ambig)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1314,1315,1316,1082,1083,1084,1086,1087,1088,1082,
1083,1084,1086,1087,1088,
igr2= 782, 783, 782, 783, 782, 783,
&end
#
# 48 ILE QG2 48 ILE HG1+ 3.50 (# 1054:20 Unique 2.58, 3.65 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 778, 779, 780,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 2.80 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1993, 539,
igr2=2000, 578, 579,
&end
#
# 0 AMB 20-2:1056 123 LEU HG 2.80 (# 1056:20 Single Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,
&end
#
# 33 ASP HA 0 AMB 20-1:1057 3.50 (# 1057:20 Single Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1058 0 AMB 20-1:1058 2.80 (# 1058:20 Double Ambig)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 575, 576, 575, 576, 575, 576,
igr2= 578, 579, 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:1059 90 LEU HG 2.80 (# 1059:20 Single Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1452,1401,
&end
#
# 89 MET HG+ 90 LEU HG 5.50 (# 1060:20 Unique 3.23, 4.64 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1440,1441,
&end
#
# 0 AMB 20-2:1061 0 AMB 20-1:1061 3.50 (# 1061:20 Double Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 880, 827,
igr2= 885, 886, 885, 886,
&end
#
# 0 AMB 20-2:1062 0 AMB 20-1:1062 2.80 (# 1062:20 Double Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 888, 889, 888, 889,
igr2= 885, 886, 885, 886,
&end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 2.80 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 711, 715, 820, 821,
igr2=1052,1053,1054,1056,1057,1058, 885, 886,
&end
#
# 35 TYR HE 65 LEU MDY 4.50 (# 1064:20 Unique 2.14, 6.51 A)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 563, 568,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 65 LEU HB+ 65 LEU MDY 2.80 (# 1065:20 Unique 2.00, 3.27 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1047,1048,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 34 THR MG2 65 LEU MDY 4.50 (# 1066:20 Unique 2.00, 5.59 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 545, 546, 547,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 48 ILE QD1 65 LEU MDY 4.50 (# 1067:20 Unique 3.28, 7.65 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 785, 786, 787,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:1068 54 ARG HG- 3.50 (# 1068:20 Single Ambig)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 888, 889, 888, 889,
igr2= 885, 886,
&end
#
# 73 ILE HN 73 ILE HA 2.80 (# 1070:20 Unique 2.21, 2.21 A)
&rst
ixpk= 1070, nxpk= 20, iat=1173,1175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1071 73 ILE HA 4.50 (# 1071:20 Single Ambig)
&rst
ixpk= 1071, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1164,1749,
&end
#
# 73 ILE HB 73 ILE HA 4.50 (# 1072:20 Unique 2.95, 2.99 A)
&rst
ixpk= 1072, nxpk= 20, iat=1177,1175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ILE HG1+ 73 ILE HA 4.50 (# 1073:20 Unique 2.59, 3.11 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1183,1184,
&end
#
# 73 ILE HG1- 73 ILE HA 3.50 (# 1074:20 Unique 2.59, 3.11 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1183,1184,
&end
#
# 0 AMB 20-2:1075 0 AMB 20-1:1075 2.80 (# 1075:20 Double Ambig)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1502,1503,1504,1506,1507,1508,2345,2346,2347,2349,
2350,2351,2345,2346,2347,2349,2350,2351,2288,2289,
2290,2292,2293,2294,2002,2003,2004,2006,2007,2008,
2002,2003,2004,2006,2007,2008,
igr2=1498,2284,
&end
#
# 37 SER HN 0 AMB 20-1:1076 4.50 (# 1076:20 Single Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 578, 579, 578, 579,
&end
#
# 90 LEU HN 90 LEU HG 4.50 (# 1077:20 Unique 1.94, 3.43 A)
&rst
ixpk= 1077, nxpk= 20, iat=1450,1457, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1078 148 LEU HG 4.50 (# 1078:20 Single Ambig)
&rst
ixpk= 1078, nxpk= 20, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2365,2384,
&end
#
# 0 AMB 20-2:1079 148 LEU HG 2.80 (# 1079:20 Single Ambig)
&rst
ixpk= 1079, nxpk= 20, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2374,2375,2376,2378,2379,2380,2374,2375,2376,2378,
2379,2380,
&end
#
# 0 AMB 20-2:1080 0 AMB 20-1:1080 2.80 (# 1080:20 Double Ambig)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 296, 297, 298,1963,1964,1965,1967,1968,1969,
igr2= 293, 294, 293, 294,
&end
#
# 18 ILE QG2 18 ILE HG1+ 4.50 (# 1081:20 Unique 2.16, 3.47 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 289, 290, 291,
igr2= 293, 294,
&end
#
# 65 LEU HN 65 LEU MDY 4.50 (# 1082:20 Unique 3.19, 4.35 A)
&rst
ixpk= 1082, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 63 GLU HB- 65 LEU MDY 4.50 (# 1083:20 Unique 2.01, 4.68 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1025,1026,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 65 LEU HG 65 LEU MDY 2.80 (# 1084:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1084, nxpk= 20, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 26 LEU HN 26 LEU MDX 4.50 (# 1085:20 Unique 2.88, 4.23 A)
&rst
ixpk= 1085, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 20 ASP HN 26 LEU MDX 4.50 (# 1086:20 Unique 2.48, 4.84 A)
&rst
ixpk= 1086, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 20 ASP HA 26 LEU MDX 4.50 (# 1087:20 Unique 1.97, 4.31 A)
&rst
ixpk= 1087, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 26 LEU HA 26 LEU MDX 3.50 (# 1088:20 Unique 2.01, 3.99 A)
&rst
ixpk= 1088, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1089 26 LEU MDX 3.50 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 325, 326,1794,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1090 26 LEU MDX 2.80 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 325, 326, 370, 371,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1092 26 LEU MDX 2.80 (# 1092:20 Single Ambig)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 406, 407, 406, 407,1799,1800,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 18 ILE QG2 26 LEU MDX 2.80 (# 1093:20 Unique 2.29, 5.82 A)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 289, 290, 291,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 122 PHE HN 121 LEU MDX 4.50 (# 1094:20 Unique 3.61, 4.62 A)
&rst
ixpk= 1094, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1095 121 LEU MDX 3.50 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1981,1989,1954,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 121 LEU HA 121 LEU MDX 4.50 (# 1096:20 Unique 2.89, 4.51 A)
&rst
ixpk= 1096, nxpk= 20, iat=1956, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1097 121 LEU MDX 2.80 (# 1097:20 Single Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1857,1858,1859,1861,1862,1863,1565,1566,1567,1569,
1570,1571,1565,1566,1567,1569,1570,1571,1961,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 71 SER HN 0 AMB 20-1:1098 4.50 (# 1098:20 Single Ambig)
&rst
ixpk= 1098, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1155,1156,1155,1156,
&end
#
# 76 TYR HD 0 AMB 20-1:1099 4.50 (# 1099:20 Single Ambig)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1231,1240,
igr2=1155,1156,1155,1156,
&end
#
# 71 SER HA 0 AMB 20-1:1100 3.50 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1155,1156,1155,1156,
&end
#
# 97 LEU HN 96 CYS HB+ 4.50 (# 1101:20 Unique 1.91, 2.69 A)
&rst
ixpk= 1101, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1549,1550,
&end
#
# 96 CYS HN 96 CYS HB+ 3.50 (# 1102:20 Unique 2.09, 2.73 A)
&rst
ixpk= 1102, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:1103 0 AMB 20-1:1103 4.50 (# 1103:20 Double Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1547,2199,2200,
igr2=1549,1550,1549,1550,
&end
#
# 0 AMB 20-2:1104 0 AMB 20-1:1104 4.50 (# 1104:20 Double Ambig)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1498,2199,2200,
igr2=1549,1550,1549,1550,
&end
#
# 97 LEU HN 96 CYS HB- 4.50 (# 1106:20 Unique 1.91, 2.69 A)
&rst
ixpk= 1106, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1549,1550,
&end
#
# 96 CYS HN 96 CYS HB- 3.50 (# 1107:20 Unique 2.09, 2.73 A)
&rst
ixpk= 1107, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:1108 96 CYS HB- 4.50 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1547,2199,2200,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:1109 96 CYS HB- 4.50 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1498,2199,2200,
igr2=1549,1550,
&end
#
# 101 LEU HN 101 LEU HG 4.50 (# 1110:20 Unique 1.89, 2.35 A)
&rst
ixpk= 1110, nxpk= 20, iat=1618,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1111 101 LEU HG 2.80 (# 1111:20 Single Ambig)
&rst
ixpk= 1111, nxpk= 20, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1857,1858,1859,1861,1862,1863,1627,1628,1629,1631,
1632,1633,
&end
#
# 148 LEU HA 148 LEU HG 3.50 (# 1112:20 Unique 2.09, 2.79 A)
&rst
ixpk= 1112, nxpk= 20, iat=2367,2372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 LEU HN 135 LEU HG 4.50 (# 1113:20 Unique 1.88, 2.82 A)
&rst
ixpk= 1113, nxpk= 20, iat=2161,2168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1114 26 LEU MDX 2.80 (# 1114:20 Single Ambig)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1805,1806,1805,1806,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 24 ASP HB+ 26 LEU MDX 4.50 (# 1115:20 Unique 2.02, 5.16 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 370, 371,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 27 PHE HD 121 LEU MDX 2.80 (# 1116:20 Unique 1.98, 4.92 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 429, 437,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 27 PHE HB+ 121 LEU MDX 2.80 (# 1117:20 Unique 2.39, 4.87 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 425, 426,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 27 PHE HB- 121 LEU MDX 3.50 (# 1118:20 Unique 2.39, 4.87 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 425, 426,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1119 121 LEU MDX 2.80 (# 1119:20 Single Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2026,1926,1927,1928,1958,1959,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 38 VAL HB 38 VAL HA 4.50 (# 1121:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1121, nxpk= 20, iat= 603, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1122 38 VAL HA 4.50 (# 1122:20 Single Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657, 676, 677,
&end
#
# 38 VAL MGY 38 VAL HA 3.50 (# 1123:20 Unique 2.29, 3.12 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1124 0 AMB 20-1:1124 2.80 (# 1124:20 Double Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 605, 606, 607, 609, 610, 611,1139,1140,1139,1140,
igr2= 601,1155,1156,1155,1156,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 3.50 (# 1125:20 Double Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 599, 669,1162,
igr2= 601,1155,1156,
&end
#
# 65 LEU HN 65 LEU HG 4.50 (# 1127:20 Unique 1.93, 2.32 A)
&rst
ixpk= 1127, nxpk= 20, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1128 0 AMB 20-1:1128 4.50 (# 1128:20 Double Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 617, 671,
igr2= 676, 677, 676, 677,
&end
#
# 0 AMB 20-2:1130 0 AMB 20-1:1130 3.50 (# 1130:20 Double Ambig)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 682, 683, 682, 683,
igr2= 676, 677, 676, 677,
&end
#
# 0 AMB 20-2:1131 42 LYS HG- 4.50 (# 1131:20 Single Ambig)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 682, 683, 682, 683,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:1132 97 LEU MDX 4.50 (# 1132:20 Single Ambig)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1575,1556,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:1133 0 AMB 20-1:1133 3.50 (# 1133:20 Double Ambig)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1252,1260,1886,
igr2=1565,1566,1567,1569,1570,1571,1876,1877,1878,1880,
1881,1882,
&end
#
# 0 AMB 20-2:1134 0 AMB 20-1:1134 2.80 (# 1134:20 Double Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1560,1561,2343,2026,2057,2058,
igr2=1565,1566,1567,1569,1570,1571,2002,2003,2004,2006,
2007,2008,
&end
#
# 0 AMB 20-2:1135 26 LEU MDX 3.50 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1867, 421,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1136 26 LEU MDX 2.80 (# 1136:20 Single Ambig)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1871,1872,1802,1803,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1137 26 LEU MDX 2.80 (# 1137:20 Single Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 406, 407,1871,1872,1799,1800,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 146 VAL HN 146 VAL HA 4.50 (# 1139:20 Unique 2.84, 2.91 A)
&rst
ixpk= 1139, nxpk= 20, iat=2339,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 VAL HB 146 VAL HA 4.50 (# 1140:20 Unique 2.37, 2.89 A)
&rst
ixpk= 1140, nxpk= 20, iat=2343,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1141 146 VAL HA 2.80 (# 1141:20 Single Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 42 LYS HN 42 LYS HG+ 4.50 (# 1142:20 Unique 2.33, 2.87 A)
&rst
ixpk= 1142, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 42 LYS HN 42 LYS HG- 4.50 (# 1143:20 Unique 2.33, 2.87 A)
&rst
ixpk= 1143, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:1144 42 LYS HG- 3.50 (# 1144:20 Single Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 617, 671,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:1145 97 LEU MDX 4.50 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1577,2024,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:1146 26 LEU MDX 2.80 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1796,1797, 409,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1147 0 AMB 20-1:1147 2.80 (# 1147:20 Double Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1560,1561,1997,1998,1871,1872,
igr2=1565,1566,1567,1569,1570,1571,2002,2003,2004,2006,
2007,2008,1876,1877,1878,1880,1881,1882,
&end
#
# 114 LEU HN 114 LEU MDX 2.80 (# 1148:20 Unique 2.51, 4.95 A)
&rst
ixpk= 1148, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1149 114 LEU MDX 5.50 (# 1149:20 Single Ambig)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1901,1915,1618,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1150 114 LEU MDX 3.50 (# 1150:20 Single Ambig)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1252,1260,1585,1589,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 77 PHE HE 114 LEU MDX 3.50 (# 1151:20 Unique 1.99, 4.86 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1254,1258,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 114 LEU HA 114 LEU MDX 3.50 (# 1152:20 Unique 2.06, 3.91 A)
&rst
ixpk= 1152, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1153 114 LEU MDX 4.50 (# 1153:20 Single Ambig)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1794,1639,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1154 114 LEU MDX 3.50 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1765,1926,1927,1928,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1155 114 LEU MDX 2.80 (# 1155:20 Single Ambig)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1852,1853,1855,1622,1623,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1156 114 LEU MDX 2.80 (# 1156:20 Single Ambig)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1852,1853, 406, 407, 406, 407,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 18 ILE QG2 114 LEU MDX 2.80 (# 1157:20 Unique 1.97, 4.32 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 289, 290, 291,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 94 LEU HN 94 LEU MDX 5.50 (# 1158:20 Unique 2.64, 5.04 A)
&rst
ixpk= 1158, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 69 TYR HA 94 LEU MDX 4.50 (# 1159:20 Unique 2.32, 4.26 A)
&rst
ixpk= 1159, nxpk= 20, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 19 LEU HN 19 LEU MDX 4.50 (# 1160:20 Unique 2.00, 4.08 A)
&rst
ixpk= 1160, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1161 19 LEU MDX 3.50 (# 1161:20 Single Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 321, 791,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 49 PHE HD 19 LEU MDX 2.80 (# 1162:20 Unique 2.32, 6.60 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 799, 807,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1163 19 LEU MDX 3.50 (# 1163:20 Single Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 725, 726, 361, 362,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 48 ILE QG2 19 LEU MDX 4.50 (# 1164:20 Unique 2.58, 5.71 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 778, 779, 780,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1165 19 LEU MDX 5.50 (# 1165:20 Single Ambig)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 359, 736,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 78 TYR HE 19 LEU MDX 3.50 (# 1166:20 Unique 1.99, 5.41 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1274,1279,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 19 LEU HA 19 LEU MDX 4.50 (# 1167:20 Unique 1.94, 4.21 A)
&rst
ixpk= 1167, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 46 LYS HA 19 LEU MDX 5.50 (# 1168:20 Unique 4.04, 7.33 A)
&rst
ixpk= 1168, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1169 19 LEU MDX 4.50 (# 1169:20 Single Ambig)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 723, 388, 389, 388, 389, 425, 426,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1170 19 LEU MDX 2.80 (# 1170:20 Single Ambig)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 361, 362, 795, 796, 795, 796,1227,1228,1227,1228,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1171 19 LEU MDX 3.50 (# 1171:20 Single Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 382, 383, 306, 307, 268, 269,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1172 19 LEU MDX 2.80 (# 1172:20 Single Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 382, 383, 725, 726, 309,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 4.50 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2012,1545,
igr2=2002,2003,2004,2006,2007,2008,1565,1566,1567,1569,
1570,1571,
&end
#
# 101 LEU HN 97 LEU MDX 5.50 (# 1175:20 Unique 3.50, 6.15 A)
&rst
ixpk= 1175, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 4.50 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2365,1981,1989,1954,2384,
igr2=2002,2003,2004,2006,2007,2008,1565,1566,1567,1569,
1570,1571,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 4.50 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1995,1869,
igr2=2002,2003,2004,2006,2007,2008,1876,1877,1878,1880,
1881,1882,
&end
#
# 0 AMB 20-2:1178 123 LEU MDX 2.80 (# 1178:20 Single Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1949,1950,1949,1950,2014,
igr2=2002,2003,2004,2006,2007,2008,
&end
#
# 0 AMB 20-2:1179 0 AMB 20-1:1179 4.50 (# 1179:20 Double Ambig)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1824,1825,1824,1825,1248,1249,
igr2=1876,1877,1878,1880,1881,1882,1565,1566,1567,1569,
1570,1571,
&end
#
# 0 AMB 20-2:1180 0 AMB 20-1:1180 3.50 (# 1180:20 Double Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1939,1940,1939,1940,1579,1580,1893,1894,
igr2=2002,2003,2004,2006,2007,2008,1565,1566,1567,1569,
1570,1571,1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 20-2:1181 123 LEU MDX 2.80 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1997,1998,2000,1936,1937,1936,1937,
igr2=2002,2003,2004,2006,2007,2008,
&end
#
# 0 AMB 20-2:1182 0 AMB 20-1:1182 5.50 (# 1182:20 Double Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1285,1076,
igr2=1521,1522,1523,1525,1526,1527,1011,1012,1013,1015,
1016,1017,
&end
#
# 95 ASN HN 94 LEU MDX 4.50 (# 1183:20 Unique 2.06, 4.62 A)
&rst
ixpk= 1183, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 2.80 (# 1184:20 Double Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1002,1129,
igr2=1011,1012,1013,1015,1016,1017,1521,1522,1523,1525,
1526,1527,
&end
#
# 0 AMB 20-2:1185 0 AMB 20-1:1185 4.50 (# 1185:20 Double Ambig)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 767, 768, 711, 715,1540,1541,
igr2=1011,1012,1013,1015,1016,1017,1521,1522,1523,1525,
1526,1527,
&end
#
# 91 MET HA 94 LEU MDX 3.50 (# 1186:20 Unique 1.98, 5.29 A)
&rst
ixpk= 1186, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 51 LYS HE+ 62 LEU MDX 4.50 (# 1188:20 Unique 1.99, 4.71 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 838, 839,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1189 62 LEU MDX 4.50 (# 1189:20 Single Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 762, 763, 762, 763,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1190 94 LEU MDX 4.50 (# 1190:20 Single Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1248,1249,1476,1477,1476,1477,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1191 0 AMB 20-1:1191 2.80 (# 1191:20 Double Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1096,1080,1579,1580,
igr2=1521,1522,1523,1525,1526,1527,1011,1012,1013,1015,
1016,1017,
&end
#
# 0 AMB 20-2:1192 94 LEU MDX 2.80 (# 1192:20 Single Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1516,1517,1480,1481,1482,1289,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 2.80 (# 1193:20 Double Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1516,1517,1006,1007,1006,1007, 832, 833, 832, 833,
1311,1312,
igr2=1521,1522,1523,1525,1526,1527,1011,1012,1013,1015,
1016,1017,
&end
#
# 0 AMB 20-2:1194 17 LEU MDX 3.50 (# 1194:20 Single Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1311,1312, 725, 726,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 37 SER HN 36 PRO HA 4.50 (# 1195:20 Unique 3.29, 3.51 A)
&rst
ixpk= 1195, nxpk= 20, iat= 588, 584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1196 36 PRO HA 5.50 (# 1196:20 Single Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 475, 555, 529,
&end
#
# 0 AMB 20-2:1197 36 PRO HA 4.50 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 575, 576, 575, 576, 654, 601,
&end
#
# 30 TYR HB- 36 PRO HA 5.50 (# 1198:20 Unique 1.80, 3.10 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 36 PRO HB- 36 PRO HA 2.80 (# 1199:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 581, 582,
&end
#
# 80 ILE QG2 14 LYS HG- 4.50 (# 1200:20 Unique 2.00, 4.97 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1307,1308,1309,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:1201 0 AMB 20-1:1201 5.50 (# 1201:20 Double Ambig)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 767, 768,1540,1541,
igr2=1011,1012,1013,1015,1016,1017,1521,1522,1523,1525,
1526,1527,
&end
#
# 48 ILE QG2 62 LEU MDX 3.50 (# 1202:20 Unique 2.64, 5.70 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 778, 779, 780,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 30 TYR HH 17 LEU MDX 4.50 (# 1203:20 Unique 2.01, 3.80 A)
&rst
ixpk= 1203, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 17 LEU HN 17 LEU MDX 4.50 (# 1204:20 Unique 2.58, 4.37 A)
&rst
ixpk= 1204, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 44 PHE HD 17 LEU MDX 4.50 (# 1205:20 Unique 2.11, 6.16 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 709, 717,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 78 TYR HD 17 LEU MDX 4.50 (# 1206:20 Unique 2.63, 6.17 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1281,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 17 LEU HA 17 LEU MDX 4.50 (# 1207:20 Unique 2.45, 4.36 A)
&rst
ixpk= 1207, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 78 TYR HB+ 17 LEU MDX 3.50 (# 1208:20 Unique 2.45, 4.71 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1268,1269,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 45 GLU HG+ 17 LEU MDX 3.50 (# 1209:20 Unique 1.99, 4.42 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 728, 729,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 17 LEU HB+ 17 LEU MDX 2.80 (# 1210:20 Unique 2.08, 3.28 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 268, 269,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 0 AMB 20-2:1211 17 LEU MDX 2.80 (# 1211:20 Single Ambig)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 268, 269, 271,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 48 ILE QG2 17 LEU MDX 4.50 (# 1212:20 Unique 1.98, 5.56 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 778, 779, 780,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 82 SER HN 90 LEU MDX 5.50 (# 1213:20 Unique 1.94, 3.95 A)
&rst
ixpk= 1213, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 81 GLY HN 90 LEU MDX 3.50 (# 1214:20 Unique 2.15, 4.56 A)
&rst
ixpk= 1214, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1215 90 LEU MDX 5.50 (# 1215:20 Single Ambig)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1469,1338,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 90 LEU HN 90 LEU MDX 3.50 (# 1216:20 Unique 1.90, 3.40 A)
&rst
ixpk= 1216, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1217 90 LEU MDX 3.50 (# 1217:20 Single Ambig)
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1066,1342,1343,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1218 90 LEU MDX 2.80 (# 1218:20 Single Ambig)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1068,1069,1070,1291,1292,1293,1295,1296,1297,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 135 LEU HN 135 LEU MDX 4.50 (# 1219:20 Unique 2.20, 4.57 A)
&rst
ixpk= 1219, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2170,2171,2172,2174,2175,2176,
&end
#
# 130 ASP HN 135 LEU MDX 4.50 (# 1220:20 Unique 1.99, 5.40 A)
&rst
ixpk= 1220, nxpk= 20, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:1221 0 AMB 20-1:1221 2.80 (# 1221:20 Double Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2104,2105,2104,2105, 370, 371,
igr2=2170,2171,2172,2174,2175,2176, 411, 412, 413, 415,
416, 417,
&end
#
# 0 AMB 20-2:1222 0 AMB 20-1:1222 4.50 (# 1222:20 Double Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2102,1206,
igr2=2170,2171,2172,2174,2175,2176, 411, 412, 413, 415,
416, 417,
&end
#
# 135 LEU HA 135 LEU MDX 3.50 (# 1223:20 Unique 2.00, 4.21 A)
&rst
ixpk= 1223, nxpk= 20, iat=2163, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:1224 0 AMB 20-1:1224 3.50 (# 1224:20 Double Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1=1252,1260,1585,1589, 342, 343,1357,1366,1886,
igr2=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417,1459,1460,1461,1463,1464,1465,
&end
#
# 29 LYS HA 0 AMB 20-1:1225 4.50 (# 1225:20 Single Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 458, 459, 458, 459,
&end
#
# 51 LYS HN 0 AMB 20-1:1226 2.80 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 832, 833, 832, 833,
&end
#
# 0 AMB 20-2:1227 0 AMB 20-1:1227 2.80 (# 1227:20 Double Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 838, 839, 838, 839, 815, 816,
igr2= 832, 833, 832, 833, 832, 833,
&end
#
# 0 AMB 20-2:1228 0 AMB 20-1:1228 2.80 (# 1228:20 Double Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 740, 741, 740, 741, 625, 626,
igr2= 743, 744, 743, 744, 622, 623,
&end
#
# 51 LYS HA 0 AMB 20-1:1229 2.80 (# 1229:20 Single Ambig)
&rst
ixpk= 1229, nxpk= 20, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 832, 833, 832, 833,
&end
#
# 0 AMB 20-2:1230 0 AMB 20-1:1230 4.50 (# 1230:20 Double Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1349,1901,1486,1915,
igr2= 152, 153, 154, 156, 157, 158,1857,1858,1859,1861,
1862,1863,1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1231 0 AMB 20-1:1231 3.50 (# 1231:20 Double Ambig)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1254,1258,1359,1364,
igr2=1857,1858,1859,1861,1862,1863, 152, 153, 154, 156,
157, 158,
&end
#
# 0 AMB 20-2:1232 0 AMB 20-1:1232 2.80 (# 1232:20 Double Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1452,1331,1332,1850,
igr2=1459,1460,1461,1463,1464,1465,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 20-2:1233 0 AMB 20-1:1233 2.80 (# 1233:20 Double Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1799,1800,1958,1959,
igr2= 411, 412, 413, 415, 416, 417,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 20-2:1234 0 AMB 20-1:1234 2.80 (# 1234:20 Double Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1765,1926,1927,1928,
igr2=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417,
&end
#
# 0 AMB 20-2:1235 0 AMB 20-1:1235 2.80 (# 1235:20 Double Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1852,1853,1796,1797,2165,2166,1855, 409, 150,
igr2=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417,2170,2171,2172,2174,2175,2176, 152, 153,
154, 156, 157, 158,
&end
#
# 18 ILE QG2 0 AMB 20-1:1236 3.50 (# 1236:20 Single Ambig)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 289, 290, 291,
igr2=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417,
&end
#
# 137 SER HA 137 SER HB- 2.80 (# 1238:20 Unique 2.26, 2.55 A)
&rst
ixpk= 1238, nxpk= 20, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:1240 137 SER HB- 4.50 (# 1240:20 Single Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1490,1491,1492,2152,2153,2152,2153,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:1241 137 SER HB- 4.50 (# 1241:20 Single Ambig)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2155,2156,2157,2148,2149,2150,
igr2=2199,2200,
&end
#
# 25 ARG HN 25 ARG HG+ 4.50 (# 1242:20 Unique 1.95, 2.36 A)
&rst
ixpk= 1242, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 0 AMB 20-2:1243 0 AMB 20-1:1243 3.50 (# 1243:20 Double Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 445, 446, 447, 189, 190, 191, 75, 76,
igr2= 385, 386, 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:1244 0 AMB 20-1:1244 3.50 (# 1244:20 Double Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1213,1214,1215,1217,1218,1219,1213,1214,
1215,1217,1218,1219,
igr2= 385, 386,1799,1800,
&end
#
# 25 ARG HN 25 ARG HG- 4.50 (# 1245:20 Unique 1.95, 2.36 A)
&rst
ixpk= 1245, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 88 LEU HN 88 LEU MDX 3.50 (# 1246:20 Unique 2.56, 4.23 A)
&rst
ixpk= 1246, nxpk= 20, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 89 MET HN 88 LEU MDX 5.50 (# 1247:20 Unique 2.89, 5.27 A)
&rst
ixpk= 1247, nxpk= 20, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 88 LEU HA 88 LEU MDX 3.50 (# 1248:20 Unique 2.59, 4.26 A)
&rst
ixpk= 1248, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 20-2:1249 88 LEU MDX 4.50 (# 1249:20 Single Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1406,1407,1406,1407,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 88 LEU HB- 88 LEU MDX 2.80 (# 1250:20 Unique 1.96, 3.24 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1418,1419,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 88 LEU HB+ 88 LEU MDX 2.80 (# 1251:20 Unique 1.96, 3.24 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1418,1419,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 20-2:1252 0 AMB 20-1:1252 2.80 (# 1252:20 Double Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1403,1404,1444,1445,1446,1796,1797, 107, 108,
igr2=1459,1460,1461,1463,1464,1465, 152, 153, 154, 156,
157, 158, 411, 412, 413, 415, 416, 417, 93, 94,
95, 97, 98, 99,
&end
#
# 0 AMB 20-2:1253 0 AMB 20-1:1253 2.80 (# 1253:20 Double Ambig)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1414,1848, 421,
igr2=1459,1460,1461,1463,1464,1465,1857,1858,1859,1861,
1862,1863,
&end
#
# 26 LEU HA 26 LEU MDY 3.50 (# 1254:20 Unique 2.01, 3.99 A)
&rst
ixpk= 1254, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1256 0 AMB 20-1:1256 3.50 (# 1256:20 Double Ambig)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2317,1703,1620,1934,
igr2=2374,2375,2376,2378,2379,2380, 458, 459,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 2.80 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2369,2370,2369,2370,2372, 461, 462, 461, 462,
igr2=2374,2375,2376,2378,2379,2380, 458, 459, 458, 459,
&end
#
# 117 ASN HD2+ 105 LEU MDX 5.50 (# 1258:20 Unique 1.91, 3.28 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1910,1911,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 110 GLU HN 105 LEU MDX 5.50 (# 1259:20 Unique 4.05, 6.01 A)
&rst
ixpk= 1259, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1260 139 PRO HA 4.50 (# 1260:20 Single Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2232,2282,
&end
#
# 0 AMB 20-2:1261 139 PRO HA 4.50 (# 1261:20 Single Ambig)
&rst
ixpk= 1261, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2266,1660,1661,2249,
&end
#
# 0 AMB 20-2:1262 139 PRO HA 4.50 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1547,2219,2220,2234,
&end
#
# 0 AMB 20-2:1263 139 PRO HA 3.50 (# 1263:20 Single Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2225,2226,1599,1600,
&end
#
# 0 AMB 20-2:1264 139 PRO HA 3.50 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2270,2222,2223,
&end
#
# 0 AMB 20-2:1265 139 PRO HA 4.50 (# 1265:20 Single Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=2222,2223,2253,2254,2253,2254,2236,2237,1560,1561,
1652,1653,1652,1653,
&end
#
# 139 PRO HB- 139 PRO HA 3.50 (# 1266:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2225,2226,
&end
#
# 0 AMB 20-2:1267 139 PRO HA 3.50 (# 1267:20 Single Ambig)
&rst
ixpk= 1267, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2272,2273,2274,2276,2277,2278,2272,2273,2274,2276,
2277,2278,
&end
#
# 0 AMB 20-2:1268 0 AMB 20-1:1268 3.50 (# 1268:20 Double Ambig)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1490,1491,1492,2152,2153,2152,2153,
igr2=2199,2200,2199,2200,2199,2200,
&end
#
# 58 GLU HN 0 AMB 20-1:1269 3.50 (# 1269:20 Single Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 932, 933, 932, 933,
&end
#
# 70 LYS HA 0 AMB 20-1:1270 3.50 (# 1270:20 Single Ambig)
&rst
ixpk= 1270, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 932, 933, 932, 933,
&end
#
# 55 THR MG2 0 AMB 20-1:1271 5.50 (# 1271:20 Single Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 908, 909, 910,
igr2= 932, 933, 932, 933,
&end
#
# 59 ILE HN 0 AMB 20-1:1272 4.50 (# 1272:20 Single Ambig)
&rst
ixpk= 1272, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 932, 933, 932, 933,
&end
#
# 57 SER HN 0 AMB 20-1:1273 3.50 (# 1273:20 Single Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 932, 933, 932, 933,
&end
#
# 57 SER HA 0 AMB 20-1:1274 2.80 (# 1274:20 Single Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 932, 933, 932, 933,
&end
#
# 14 LYS HN 14 LYS HG- 4.50 (# 1275:20 Unique 3.86, 4.47 A)
&rst
ixpk= 1275, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 220, 221,
&end
#
# 14 LYS HA 14 LYS HG- 4.50 (# 1276:20 Unique 1.95, 2.69 A)
&rst
ixpk= 1276, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 220, 221,
&end
#
# 14 LYS HB- 14 LYS HG- 4.50 (# 1277:20 Unique 2.26, 2.74 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 217, 218,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:1278 14 LYS HG- 4.50 (# 1278:20 Single Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 226, 227, 226, 227,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:1279 0 AMB 20-1:1279 3.50 (# 1279:20 Double Ambig)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 226, 227, 226, 227, 388, 389, 388, 389,
igr2= 220, 221, 220, 221, 385, 386, 385, 386,
&end
#
# 14 LYS HN 14 LYS HG+ 4.50 (# 1280:20 Unique 3.86, 4.47 A)
&rst
ixpk= 1280, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 220, 221,
&end
#
# 14 LYS HA 14 LYS HG+ 4.50 (# 1281:20 Unique 1.95, 2.69 A)
&rst
ixpk= 1281, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 220, 221,
&end
#
# 0 AMB 20-2:1282 0 AMB 20-1:1282 2.80 (# 1282:20 Double Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 382, 383, 217, 218,
igr2= 385, 386, 220, 221,
&end
#
# 0 AMB 20-2:1283 111 LYS HG- 4.50 (# 1283:20 Single Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1796,1797,1781,1782,
igr2=1799,1800,
&end
#
# 25 ARG HA 25 ARG HG- 4.50 (# 1284:20 Unique 2.48, 3.71 A)
&rst
ixpk= 1284, nxpk= 20, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 386,
&end
#
# 0 AMB 20-2:1285 111 LYS HG- 4.50 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1796,1797,1781,1782,
igr2=1799,1800,
&end
#
# 86 ASN HD2+ 88 LEU MDX 5.50 (# 1287:20 Unique 2.42, 6.64 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1394,1395,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 20-2:1288 88 LEU MDX 4.50 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1476,1477,1476,1477,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 88 LEU HG 88 LEU MDX 2.80 (# 1289:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1289, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 20-2:1291 0 AMB 20-1:1291 2.80 (# 1291:20 Double Ambig)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1080, 110, 111, 110, 111,1025,1026,1905,1906,
igr2=1011,1012,1013,1015,1016,1017, 93, 94, 95, 97,
98, 99,1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:1292 0 AMB 20-1:1292 3.50 (# 1292:20 Double Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1805,1806, 425, 426,
igr2= 411, 412, 413, 415, 416, 417,1857,1858,1859,1861,
1862,1863,
&end
#
# 105 LEU HN 105 LEU MDX 5.50 (# 1293:20 Unique 1.91, 4.37 A)
&rst
ixpk= 1293, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1294 105 LEU MDX 4.50 (# 1294:20 Single Ambig)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1848,1665,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1295 105 LEU MDX 4.50 (# 1295:20 Single Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1747,1725,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 105 LEU HA 105 LEU MDX 3.50 (# 1296:20 Unique 1.99, 4.40 A)
&rst
ixpk= 1296, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1297 105 LEU MDX 3.50 (# 1297:20 Single Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1620,1850,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1298 105 LEU MDX 4.50 (# 1298:20 Single Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1639,1949,1950,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 109 VAL HA 105 LEU MDX 3.50 (# 1299:20 Unique 1.98, 3.85 A)
&rst
ixpk= 1299, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 117 ASN HB+ 105 LEU MDX 4.50 (# 1300:20 Unique 1.97, 4.85 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1905,1906,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 117 ASN HB- 105 LEU MDX 4.50 (# 1301:20 Unique 1.97, 4.85 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1905,1906,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1302 105 LEU MDX 3.50 (# 1302:20 Single Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1669,1670,1669,1670,1729,1730,1765,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1303 105 LEU MDX 2.80 (# 1303:20 Single Ambig)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1729,1730,1689,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 109 VAL MGX 105 LEU MDX 2.80 (# 1304:20 Unique 1.97, 5.27 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1305 0 AMB 20-1:1305 4.50 (# 1305:20 Double Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 333, 615, 652,
igr2=1799,1800, 622, 623, 622, 623,
&end
#
# 0 AMB 20-2:1306 0 AMB 20-1:1306 4.50 (# 1306:20 Double Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 333, 615, 366,
igr2=1799,1800, 622, 623, 385, 386,
&end
#
# 0 AMB 20-2:1308 0 AMB 20-1:1308 3.50 (# 1308:20 Double Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 617,1816,
igr2= 622, 623,1799,1800,
&end
#
# 0 AMB 20-2:1309 0 AMB 20-1:1309 2.80 (# 1309:20 Double Ambig)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 628, 629, 628, 629,1805,1806,
igr2= 622, 623,1799,1800,
&end
#
# 12 THR HN 10 LEU MDX 5.50 (# 1310:20 Unique 1.97, 5.90 A)
&rst
ixpk= 1310, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 152, 153, 154, 156, 157, 158,
&end
#
# 75 LEU HB+ 72 SER HB- 3.50 (# 1311:20 Unique 3.51, 6.46 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1208,1209,
igr2=1166,1167,
&end
#
# 0 AMB 20-2:1312 0 AMB 20-1:1312 3.50 (# 1312:20 Double Ambig)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1357,1366,1585,1589,1394,1395,
igr2=1331,1332,1166,1167,1331,1332,
&end
#
# 0 AMB 20-2:1313 0 AMB 20-1:1313 2.80 (# 1313:20 Double Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 628, 629, 628, 629, 749, 750, 749, 750, 749, 750,
igr2= 622, 623, 622, 623, 743, 744, 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:1314 0 AMB 20-1:1314 4.50 (# 1314:20 Double Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1331,1332, 136, 137, 136, 137,1342,1343,1342,1343,
igr2= 152, 153, 154, 156, 157, 158, 992, 993, 994, 996,
997, 998, 992, 993, 994, 996, 997, 998,
&end
#
# 0 AMB 20-2:1315 0 AMB 20-1:1315 2.80 (# 1315:20 Double Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1=1006,1007,1006,1007, 835, 836, 835, 836, 88, 89,
88, 89, 987, 988, 987, 988, 987, 988, 50, 51,
50, 51,1047,1048, 53, 990, 220, 221,
igr2=1011,1012,1013,1015,1016,1017, 93, 94, 95, 97,
98, 99, 992, 993, 994, 996, 997, 998, 992, 993,
994, 996, 997, 998, 55, 56, 57, 59, 60, 61,
152, 153, 154, 156, 157, 158,
&end
#
# 63 GLU HN 0 AMB 20-1:1316 4.50 (# 1316:20 Single Ambig)
&rst
ixpk= 1316, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 0 AMB 20-2:1318 0 AMB 20-1:1318 3.50 (# 1318:20 Double Ambig)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1004, 975,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 82 SER HN 82 SER HB+ 4.50 (# 1320:20 Unique 2.03, 3.37 A)
&rst
ixpk= 1320, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1331,1332,
&end
#
# 83 SER HN 82 SER HB+ 4.50 (# 1321:20 Unique 1.93, 3.41 A)
&rst
ixpk= 1321, nxpk= 20, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1331,1332,
&end
#
# 82 SER HN 82 SER HB- 4.50 (# 1323:20 Unique 2.03, 3.37 A)
&rst
ixpk= 1323, nxpk= 20, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1331,1332,
&end
#
# 83 SER HN 82 SER HB- 4.50 (# 1324:20 Unique 1.93, 3.41 A)
&rst
ixpk= 1324, nxpk= 20, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:1325 82 SER HB- 4.50 (# 1325:20 Single Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1403,1404,1444,1445,1446,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:1326 0 AMB 20-1:1326 4.50 (# 1326:20 Double Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1183,1184, 223, 224, 223, 224, 220, 221, 220, 221,
igr2=1166,1167,1331,1332,
&end
#
# 0 AMB 20-2:1327 0 AMB 20-1:1327 2.80 (# 1327:20 Double Ambig)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 738, 617,
igr2= 743, 744, 743, 744, 622, 623,
&end
#
# 0 AMB 20-2:1328 0 AMB 20-1:1328 2.80 (# 1328:20 Double Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 625, 626, 746, 747, 746, 747, 746, 747, 619, 620,
igr2= 622, 623, 743, 744, 743, 744, 743, 744, 622, 623,
&end
#
# 67 VAL HN 0 AMB 20-1:1329 4.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1330 0 AMB 20-1:1330 2.80 (# 1330:20 Double Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1338, 36, 983, 132,
igr2= 152, 153, 154, 156, 157, 158, 93, 94, 95, 97,
98, 99, 992, 993, 994, 996, 997, 998, 992, 993,
994, 996, 997, 998, 55, 56, 57, 59, 60, 61,
&end
#
# 61 LEU HA 0 AMB 20-1:1331 2.80 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 66 THR HA 0 AMB 20-1:1332 2.80 (# 1332:20 Single Ambig)
&rst
ixpk= 1332, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 83 SER HB- 0 AMB 20-1:1333 4.50 (# 1333:20 Single Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1342,1343,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998, 55, 56, 57, 59, 60, 61,
&end
#
# 60 ALA HN 0 AMB 20-1:1334 5.50 (# 1334:20 Single Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 0 AMB 20-2:1335 0 AMB 20-1:1335 2.80 (# 1335:20 Double Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 983,1002,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 61 LEU HA 0 AMB 20-1:1336 3.50 (# 1336:20 Single Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 83 SER HB- 0 AMB 20-1:1337 4.50 (# 1337:20 Single Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1342,1343,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 0 AMB 20-2:1338 0 AMB 20-1:1338 2.80 (# 1338:20 Double Ambig)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 987, 988, 987, 988, 987, 988, 990, 964, 965,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 0 AMB 20-2:1340 0 AMB 20-1:1340 4.50 (# 1340:20 Double Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 758, 767, 768, 701,
igr2= 743, 744, 743, 744, 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:1341 0 AMB 20-1:1341 4.50 (# 1341:20 Double Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 767, 768, 767, 768, 799, 807, 820, 821,
igr2= 743, 744, 743, 744, 743, 744, 743, 744,
&end
#
# 94 LEU HB- 79 VAL MGY 4.50 (# 1342:20 Unique 1.99, 4.38 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1516,1517,
igr2=1291,1292,1293,1295,1296,1297,
&end
#
# 111 LYS HN 75 LEU MDY 4.50 (# 1343:20 Unique 3.17, 5.05 A)
&rst
ixpk= 1343, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 76 TYR HN 75 LEU MDY 4.50 (# 1344:20 Unique 1.91, 4.16 A)
&rst
ixpk= 1344, nxpk= 20, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 75 LEU HN 75 LEU MDY 4.50 (# 1345:20 Unique 2.16, 5.28 A)
&rst
ixpk= 1345, nxpk= 20, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 20 ASP HA 75 LEU MDY 3.50 (# 1346:20 Unique 2.08, 4.76 A)
&rst
ixpk= 1346, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 75 LEU HA 75 LEU MDY 2.80 (# 1347:20 Unique 1.99, 3.77 A)
&rst
ixpk= 1347, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 110 GLU HA 75 LEU MDY 4.50 (# 1348:20 Unique 2.77, 5.25 A)
&rst
ixpk= 1348, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 111 LYS HA 75 LEU MDY 2.80 (# 1349:20 Unique 1.98, 3.63 A)
&rst
ixpk= 1349, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 0 AMB 20-2:1350 0 AMB 20-1:1350 4.50 (# 1350:20 Double Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 325, 326,1781,1782, 557, 558, 425, 426,
igr2=1213,1214,1215,1217,1218,1219, 273, 274, 275, 277,
278, 279,
&end
#
# 75 LEU HB+ 75 LEU MDY 2.80 (# 1351:20 Unique 1.98, 3.39 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1208,1209,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 18 ILE QG2 75 LEU MDY 2.80 (# 1352:20 Unique 1.97, 3.51 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 289, 290, 291,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 27 PHE HE 121 LEU MDY 4.50 (# 1353:20 Unique 2.46, 5.23 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 431, 435,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1354 128 ILE HA 3.50 (# 1354:20 Single Ambig)
&rst
ixpk= 1354, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2065,2180,
&end
#
# 128 ILE HB 128 ILE HA 4.50 (# 1356:20 Unique 2.97, 3.00 A)
&rst
ixpk= 1356, nxpk= 20, iat=2069,2067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 ILE QG2 128 ILE HA 3.50 (# 1357:20 Unique 2.44, 3.29 A)
&rst
ixpk= 1357, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2071,2072,2073,
&end
#
# 10 LEU HN 9 SER HB- 4.50 (# 1358:20 Unique 2.02, 3.21 A)
&rst
ixpk= 1358, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 136, 137,
&end
#
# 0 AMB 20-2:1359 9 SER HB- 2.80 (# 1359:20 Single Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 134, 128,
igr2= 136, 137,
&end
#
# 30 TYR HH 17 LEU MDY 3.50 (# 1360:20 Unique 2.01, 3.80 A)
&rst
ixpk= 1360, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 18 ILE HN 17 LEU MDY 5.50 (# 1361:20 Unique 4.42, 6.13 A)
&rst
ixpk= 1361, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 17 LEU HN 17 LEU MDY 4.50 (# 1362:20 Unique 2.58, 4.37 A)
&rst
ixpk= 1362, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 30 TYR HE 17 LEU MDY 4.50 (# 1363:20 Unique 1.97, 4.65 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 483, 488,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 17 LEU HA 17 LEU MDY 2.80 (# 1364:20 Unique 2.45, 4.36 A)
&rst
ixpk= 1364, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 18 ILE QG2 121 LEU MDY 5.50 (# 1366:20 Unique 3.64, 6.50 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 289, 290, 291,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1367 121 LEU MDY 4.50 (# 1367:20 Single Ambig)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2022,1973,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1368 121 LEU MDY 3.50 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1981,1989,1954,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 27 PHE HD 121 LEU MDY 4.50 (# 1369:20 Unique 1.98, 4.92 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 429, 437,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 118 MET HA 121 LEU MDY 5.50 (# 1370:20 Unique 2.01, 4.47 A)
&rst
ixpk= 1370, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 121 LEU HA 121 LEU MDY 2.80 (# 1371:20 Unique 2.89, 4.51 A)
&rst
ixpk= 1371, nxpk= 20, iat=1956, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1372 121 LEU MDY 2.80 (# 1372:20 Single Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2026,1926,1927,1928,1958,1959,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:1373 121 LEU MDY 4.50 (# 1373:20 Single Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1855,1852,1853,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 121 LEU HB- 121 LEU MDY 2.80 (# 1374:20 Unique 2.12, 3.27 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1958,1959,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 67 VAL HN 66 THR HA 2.80 (# 1375:20 Unique 2.15, 2.18 A)
&rst
ixpk= 1375, nxpk= 20, iat=1076,1064, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1376 66 THR HA 4.50 (# 1376:20 Single Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1062, 983,1002,
&end
#
# 61 LEU HA 66 THR HA 4.50 (# 1377:20 Unique 1.96, 2.19 A)
&rst
ixpk= 1377, nxpk= 20, iat= 985,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 SER HN 8 PRO HA 3.50 (# 1378:20 Unique 2.32, 2.59 A)
&rst
ixpk= 1378, nxpk= 20, iat= 132, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1379 8 PRO HA 3.50 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 136, 137, 136, 137, 119, 120,
&end
#
# 8 PRO HB- 8 PRO HA 2.80 (# 1380:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 125, 126,
&end
#
# 8 PRO HB+ 8 PRO HA 2.80 (# 1381:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 125, 126,
&end
#
# 9 SER HN 9 SER HB- 4.50 (# 1382:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1382, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 136, 137,
&end
#
# 9 SER HN 9 SER HB+ 3.50 (# 1383:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1383, nxpk= 20, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 136, 137,
&end
#
# 10 LEU HN 9 SER HB+ 4.50 (# 1384:20 Unique 2.02, 3.21 A)
&rst
ixpk= 1384, nxpk= 20, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 136, 137,
&end
#
# 0 AMB 20-2:1385 0 AMB 20-1:1385 2.80 (# 1385:20 Double Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 134, 128,
igr2= 136, 137, 136, 137,
&end
#
# 0 AMB 20-2:1386 0 AMB 20-1:1386 5.50 (# 1386:20 Double Ambig)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1486,1618,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,
&end
#
# 93 VAL HN 93 VAL MGY 2.80 (# 1387:20 Unique 1.92, 3.83 A)
&rst
ixpk= 1387, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 93 VAL HB 93 VAL MGY 2.80 (# 1388:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1388, nxpk= 20, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:1389 93 VAL MGY 2.80 (# 1389:20 Single Ambig)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1490,1491,1492,2152,2153,2152,2153, 201,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:1390 93 VAL MGY 2.80 (# 1390:20 Single Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2148,2149,2150, 203, 204, 205, 207, 208, 209,2155,
2156,2157,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:1391 0 AMB 20-1:1391 2.80 (# 1391:20 Double Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1682, 451,
igr2=1691,1692,1693,1695,1696,1697, 273, 274, 275, 277,
278, 279,
&end
#
# 0 AMB 20-2:1392 105 LEU MDY 7.00 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1701,1648,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1393 0 AMB 20-1:1393 4.50 (# 1393:20 Double Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 728, 729,1893,1894,
igr2= 273, 274, 275, 277, 278, 279,1691,1692,1693,1695,
1696,1697,
&end
#
# 0 AMB 20-2:1394 0 AMB 20-1:1394 2.80 (# 1394:20 Double Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1686,1687,1311,1312, 271,
igr2=1691,1692,1693,1695,1696,1697, 273, 274, 275, 277,
278, 279,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 2.80 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2022,1747,
igr2=2028,2029,2030,2032,2033,2034,1691,1692,1693,1695,
1696,1697,
&end
#
# 0 AMB 20-2:1396 0 AMB 20-1:1396 2.80 (# 1396:20 Double Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1910,1911,2038, 431, 435,
igr2=1691,1692,1693,1695,1696,1697,2028,2029,2030,2032,
2033,2034,
&end
#
# 77 PHE HE 75 LEU MDY 2.80 (# 1397:20 Unique 1.98, 5.01 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1254,1258,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 125 VAL HA 125 VAL MGY 2.80 (# 1398:20 Unique 1.99, 3.22 A)
&rst
ixpk= 1398, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:1399 0 AMB 20-1:1399 2.80 (# 1399:20 Double Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1765,2026,1890,1891,
igr2=1691,1692,1693,1695,1696,1697,2028,2029,2030,2032,
2033,2034,
&end
#
# 66 THR MG2 66 THR HA 2.80 (# 1401:20 Unique 2.23, 3.15 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1068,1069,1070,
&end
#
# 0 AMB 20-2:1402 66 THR HA 2.80 (# 1402:20 Single Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 0 AMB 20-2:1403 128 ILE HA 2.80 (# 1403:20 Single Ambig)
&rst
ixpk= 1403, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2272,2273,2274,2276,2277,2278,2170,2171,2172,2174,
2175,2176,2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:1404 0 AMB 20-1:1404 3.50 (# 1404:20 Double Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1=1459,1460,1461,1463,1464,1465,1459,1460,1461,1463,
1464,1465, 152, 153, 154, 156, 157, 158, 152, 153,
154, 156, 157, 158, 992, 993, 994, 996, 997, 998,
992, 993, 994, 996, 997, 998,
igr2=1342,1343,1342,1343, 136, 137, 136, 137,1342,1343,
1342,1343,
&end
#
# 0 AMB 20-2:1405 83 SER HB- 4.50 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1062,1338,
igr2=1342,1343,
&end
#
# 83 SER HA 83 SER HB- 2.80 (# 1406:20 Unique 2.27, 2.59 A)
&rst
ixpk= 1406, nxpk= 20, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1342,1343,
&end
#
# 109 VAL HN 109 VAL HA 4.50 (# 1407:20 Unique 2.21, 2.34 A)
&rst
ixpk= 1407, nxpk= 20, iat=1761,1763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HN 109 VAL HA 2.80 (# 1408:20 Unique 2.40, 2.80 A)
&rst
ixpk= 1408, nxpk= 20, iat=1777,1763, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 VAL HB 109 VAL HA 4.50 (# 1409:20 Unique 2.26, 2.57 A)
&rst
ixpk= 1409, nxpk= 20, iat=1765,1763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ALA MB 109 VAL HA 4.50 (# 1410:20 Unique 1.92, 2.87 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1842,1843,1844,
&end
#
# 0 AMB 20-2:1411 109 VAL HA 2.80 (# 1411:20 Single Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL MGX 109 VAL HA 3.50 (# 1412:20 Unique 2.04, 3.41 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:1413 0 AMB 20-1:1413 2.80 (# 1413:20 Double Ambig)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1498,2284,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,
&end
#
# 0 AMB 20-2:1414 105 LEU MDY 4.50 (# 1414:20 Single Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1747,1725,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1415 0 AMB 20-1:1415 2.80 (# 1415:20 Double Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1684,1975,
igr2=1691,1692,1693,1695,1696,1697,2028,2029,2030,2032,
2033,2034,
&end
#
# 0 AMB 20-2:1416 105 LEU MDY 3.50 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1620,1850,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 117 ASN HB+ 105 LEU MDY 3.50 (# 1417:20 Unique 1.97, 4.85 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1905,1906,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 117 ASN HB- 105 LEU MDY 3.50 (# 1418:20 Unique 1.97, 4.85 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1905,1906,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1419 0 AMB 20-1:1419 2.80 (# 1419:20 Double Ambig)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1729,1730,1689,2088,
igr2=1691,1692,1693,1695,1696,1697,2028,2029,2030,2032,
2033,2034,
&end
#
# 0 AMB 20-2:1420 105 LEU MDY 2.80 (# 1420:20 Single Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1842,1843,1844,1686,1687,1735,1736,1735,1736,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1421 0 AMB 20-1:1421 4.50 (# 1421:20 Double Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1848,1665, 235,
igr2=1691,1692,1693,1695,1696,1697, 273, 274, 275, 277,
278, 279,
&end
#
# 104 MET HG- 105 LEU MDY 4.50 (# 1422:20 Unique 1.97, 6.33 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1672,1673,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1423 83 SER HB- 3.50 (# 1423:20 Single Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1459,1460,1461,1463,1464,1465,1459,1460,1461,1463,
1464,1465, 992, 993, 994, 996, 997, 998, 992, 993,
994, 996, 997, 998, 55, 56, 57, 59, 60, 61,
igr2=1342,1343,
&end
#
# 0 AMB 20-2:1424 0 AMB 20-1:1424 4.50 (# 1424:20 Double Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2357,2228,2251,2067,
igr2=2288,2289,2290,2292,2293,2294,1502,1503,1504,1506,
1507,1508,
&end
#
# 78 TYR HN 94 LEU MDY 4.50 (# 1426:20 Unique 3.65, 7.02 A)
&rst
ixpk= 1426, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 79 VAL HN 94 LEU MDY 4.50 (# 1427:20 Unique 2.97, 5.62 A)
&rst
ixpk= 1427, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 95 ASN HN 94 LEU MDY 4.50 (# 1428:20 Unique 2.06, 4.62 A)
&rst
ixpk= 1428, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 4.50 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1162,1575,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,
&end
#
# 94 LEU HN 94 LEU MDY 4.50 (# 1430:20 Unique 2.64, 5.04 A)
&rst
ixpk= 1430, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 77 PHE HD 0 AMB 20-1:1431 3.50 (# 1431:20 Single Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1252,1260,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,
&end
#
# 69 TYR HA 0 AMB 20-1:1432 4.50 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1521,1522,1523,1525,1526,1527,1136,1137,
&end
#
# 78 TYR HA 0 AMB 20-1:1433 4.50 (# 1433:20 Single Ambig)
&rst
ixpk= 1433, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1521,1522,1523,1525,1526,1527,1136,1137,
&end
#
# 0 AMB 20-2:1434 0 AMB 20-1:1434 2.80 (# 1434:20 Double Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1514,1166,1167,1342,1343,1331,1332,
igr2=1521,1522,1523,1525,1526,1527,1136,1137, 55, 56,
57, 59, 60, 61,
&end
#
# 0 AMB 20-2:1435 0 AMB 20-1:1435 2.80 (# 1435:20 Double Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1248,1249,1248,1249,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1436 0 AMB 20-1:1436 2.80 (# 1436:20 Double Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1248,1249,1476,1477,1476,1477,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1437 0 AMB 20-1:1437 2.80 (# 1437:20 Double Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1133,1134,1519,
igr2=1521,1522,1523,1525,1526,1527,1136,1137,
&end
#
# 0 AMB 20-2:1438 0 AMB 20-1:1438 4.50 (# 1438:20 Double Ambig)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.85, r4=11.35,
igr1=1112,1113,1227,1228,1227,1228,1268,1269,1599,1600,
1227,1228,1268,1269,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,1565,1566,
1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:1439 100 SER HA 4.50 (# 1439:20 Single Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1652,1653,1652,1653,
&end
#
# 143 VAL MGY 100 SER HA 4.50 (# 1440:20 Unique 2.20, 4.40 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 98 PHE HN 98 PHE HA 4.50 (# 1442:20 Unique 2.64, 2.70 A)
&rst
ixpk= 1442, nxpk= 20, iat=1575,1577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 PHE HB+ 98 PHE HA 4.50 (# 1443:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1579,1580,
&end
#
# 98 PHE HB- 98 PHE HA 4.50 (# 1444:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1579,1580,
&end
#
# 98 PHE HD 98 PHE HA 4.50 (# 1445:20 Unique 2.37, 3.67 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1583,1591,
&end
#
# 0 AMB 20-2:1446 0 AMB 20-1:1446 2.80 (# 1446:20 Double Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1011,1012,1013,1015,1016,1017,1627,1628,1629,1631,
1632,1633,
igr2= 774,1577,
&end
#
# 0 AMB 20-2:1447 48 ILE HA 3.50 (# 1447:20 Single Ambig)
&rst
ixpk= 1447, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 772, 791,
&end
#
# 0 AMB 20-2:1448 0 AMB 20-1:1448 4.50 (# 1448:20 Double Ambig)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 829, 830,1622,1623,
igr2= 774,1577,
&end
#
# 48 ILE HB 48 ILE HA 4.50 (# 1449:20 Unique 2.82, 2.98 A)
&rst
ixpk= 1449, nxpk= 20, iat= 776, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE QD1 48 ILE HA 4.50 (# 1450:20 Unique 2.20, 3.30 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 785, 786, 787,
&end
#
# 0 AMB 20-2:1451 0 AMB 20-1:1451 2.80 (# 1451:20 Double Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1747,1725,
igr2=1732,1733,1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:1452 0 AMB 20-1:1452 3.50 (# 1452:20 Double Ambig)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1738,1739,1738,1739,1738,1739,
igr2=1732,1733,1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:1453 0 AMB 20-1:1453 2.80 (# 1453:20 Double Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1729,1730,1729,1730,
igr2=1732,1733,1732,1733,
&end
#
# 107 LYS HB- 0 AMB 20-1:1454 3.50 (# 1454:20 Single Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1729,1730,
igr2=1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:1455 0 AMB 20-1:1455 2.80 (# 1455:20 Double Ambig)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1735,1736,1735,1736,1735,1736,1686,1687,1686,1687,
igr2=1732,1733,1732,1733,1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:1456 10 LEU MDY 2.80 (# 1456:20 Single Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 143, 162,
igr2= 152, 153, 154, 156, 157, 158,
&end
#
# 0 AMB 20-2:1457 0 AMB 20-1:1457 2.80 (# 1457:20 Double Ambig)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 147, 148, 147, 148, 91,
igr2= 152, 153, 154, 156, 157, 158, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 20-2:1458 143 VAL MGY 2.80 (# 1458:20 Single Ambig)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1665,2282,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1459 143 VAL MGY 4.50 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2266,1660,1661,2249,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1460 143 VAL MGY 2.80 (# 1460:20 Single Ambig)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2234,1609,1667,1620,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1461 143 VAL MGY 2.80 (# 1461:20 Single Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1672,1673,1655,1656,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1462 0 AMB 20-1:1462 3.50 (# 1462:20 Double Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2088,1676,1677,1678,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,
&end
#
# 71 SER HN 70 LYS HG+ 4.50 (# 1463:20 Unique 1.92, 2.83 A)
&rst
ixpk= 1463, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1136,1137,
&end
#
# 0 AMB 20-2:1464 0 AMB 20-1:1464 3.50 (# 1464:20 Double Ambig)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1129,1545,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,1565,1566,
1567,1569,1570,1571,
&end
#
# 0 AMB 20-2:1465 10 LEU MDY 4.50 (# 1465:20 Single Ambig)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 170, 179,1357,1366,
igr2= 152, 153, 154, 156, 157, 158,
&end
#
# 0 AMB 20-2:1467 10 LEU MDY 2.80 (# 1467:20 Single Ambig)
&rst
ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1331,1332, 136, 137,
igr2= 152, 153, 154, 156, 157, 158,
&end
#
# 0 AMB 20-2:1468 10 LEU MDY 4.50 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 166, 167, 226, 227, 226, 227,
igr2= 152, 153, 154, 156, 157, 158,
&end
#
# 0 AMB 20-2:1469 0 AMB 20-1:1469 2.80 (# 1469:20 Double Ambig)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 25, 26,1437,1438,2130,
igr2= 93, 94, 95, 97, 98, 99, 152, 153, 154, 156,
157, 158,
&end
#
# 0 AMB 20-2:1470 0 AMB 20-1:1470 4.50 (# 1470:20 Double Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1444,1445,1446, 107, 108, 25, 26,
igr2= 152, 153, 154, 156, 157, 158, 93, 94, 95, 97,
98, 99,
&end
#
# 135 LEU HN 134 ILE HA 3.50 (# 1471:20 Unique 2.18, 2.26 A)
&rst
ixpk= 1471, nxpk= 20, iat=2161,2144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 LEU HN 65 LEU MDX 3.50 (# 1472:20 Unique 3.19, 4.35 A)
&rst
ixpk= 1472, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:1473 0 AMB 20-1:1473 4.50 (# 1473:20 Double Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1254,1258, 711, 715,
igr2=1565,1566,1567,1569,1570,1571,1052,1053,1054,1056,
1057,1058,1136,1137,
&end
#
# 65 LEU HA 65 LEU MDX 2.80 (# 1474:20 Unique 2.06, 4.09 A)
&rst
ixpk= 1474, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:1475 0 AMB 20-1:1475 2.80 (# 1475:20 Double Ambig)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1387,1329,1225,
igr2=1423,1424,1425,1427,1428,1429,1052,1053,1054,1056,
1057,1058,1136,1137,
&end
#
# 0 AMB 20-2:1476 0 AMB 20-1:1476 2.80 (# 1476:20 Double Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1389,1390, 226, 227, 226, 227,
igr2=1423,1424,1425,1427,1428,1429,1052,1053,1054,1056,
1057,1058,
&end
#
# 0 AMB 20-2:1477 0 AMB 20-1:1477 2.80 (# 1477:20 Double Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1560,1561,1142,1143,1025,1026,
igr2=1565,1566,1567,1569,1570,1571,1136,1137,1052,1053,
1054,1056,1057,1058,
&end
#
# 65 LEU HB+ 65 LEU MDX 2.80 (# 1478:20 Unique 2.00, 3.27 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1047,1048,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:1479 0 AMB 20-1:1479 2.80 (# 1479:20 Double Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1821,1822,1050,1421,1818,1819,
igr2=1876,1877,1878,1880,1881,1882,1052,1053,1054,1056,
1057,1058,1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 20-2:1480 0 AMB 20-1:1480 2.80 (# 1480:20 Double Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2028,2029,2030,2032,2033,2034,1307,1308,1309,1958,
1959,2016,2017,2018,
igr2=1565,1566,1567,1569,1570,1571,1052,1053,1054,1056,
1057,1058,
&end
#
# 143 VAL HN 142 VAL MGX 4.50 (# 1482:20 Unique 2.03, 4.17 A)
&rst
ixpk= 1482, nxpk= 20, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1483 142 VAL MGX 4.50 (# 1483:20 Single Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2067,2228,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 127 GLU HG- 142 VAL MGX 4.50 (# 1484:20 Unique 1.99, 5.16 A)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2057,2058,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1485 142 VAL MGX 3.50 (# 1485:20 Single Ambig)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2270,2256,2257,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1486 142 VAL MGX 2.80 (# 1486:20 Single Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2054,2055,2054,2055,2253,2254,2253,2254,2187,2188,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 128 ILE HN 142 VAL MGX 4.50 (# 1487:20 Unique 2.23, 4.73 A)
&rst
ixpk= 1487, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 142 VAL HN 142 VAL MGX 2.80 (# 1488:20 Unique 2.16, 4.07 A)
&rst
ixpk= 1488, nxpk= 20, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 142 VAL HA 142 VAL MGX 3.50 (# 1489:20 Unique 2.16, 3.23 A)
&rst
ixpk= 1489, nxpk= 20, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1490 134 ILE HA 4.50 (# 1490:20 Single Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2152,2153,2152,2153,2146,
&end
#
# 0 AMB 20-2:1491 134 ILE HA 2.80 (# 1491:20 Single Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2090,2091,2092,2094,2095,2096,2148,2149,2150,
&end
#
# 0 AMB 20-2:1494 0 AMB 20-1:1494 4.50 (# 1494:20 Double Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1627,1628,1629,1631,1632,1633,2272,2273,2274,2276,
2277,2278,1565,1566,1567,1569,1570,1571,
igr2=1611,1612,1611,1612,1611,1612,
&end
#
# 0 AMB 20-2:1495 0 AMB 20-1:1495 3.50 (# 1495:20 Double Ambig)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1414,1867,
igr2=1423,1424,1425,1427,1428,1429,1876,1877,1878,1880,
1881,1882,
&end
#
# 0 AMB 20-2:1496 0 AMB 20-1:1496 2.80 (# 1496:20 Double Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1416,1869,
igr2=1423,1424,1425,1427,1428,1429,1876,1877,1878,1880,
1881,1882,
&end
#
# 129 VAL HN 129 VAL MGY 3.50 (# 1497:20 Unique 1.95, 3.92 A)
&rst
ixpk= 1497, nxpk= 20, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:1498 129 VAL MGY 2.80 (# 1498:20 Single Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2088,2069,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:1499 129 VAL MGY 3.50 (# 1499:20 Single Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2144,2114,2115,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 148 LEU HA 148 LEU MDY 3.50 (# 1500:20 Unique 2.00, 3.84 A)
&rst
ixpk= 1500, nxpk= 20, iat=2367, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2374,2375,2376,2378,2379,2380,
&end
#
# 102 SER HN 0 AMB 20-1:1504 2.80 (# 1504:20 Single Ambig)
&rst
ixpk= 1504, nxpk= 20, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1641,1642,1641,1642,1639,
&end
#
# 0 AMB 20-2:1505 0 AMB 20-1:1505 2.80 (# 1505:20 Double Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1701,1648,
igr2=1639,1641,1642,1641,1642,
&end
#
# 99 ASP HA 0 AMB 20-1:1506 3.50 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1641,1642,1641,1642,
&end
#
# 111 LYS HN 111 LYS HA 4.50 (# 1507:20 Unique 2.66, 2.75 A)
&rst
ixpk= 1507, nxpk= 20, iat=1792,1794, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LYS HB+ 111 LYS HA 3.50 (# 1508:20 Unique 2.28, 2.50 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1796,1797,
&end
#
# 0 AMB 20-2:1509 111 LYS HA 2.80 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1796,1797,1852,1853,
&end
#
# 111 LYS HG- 111 LYS HA 3.50 (# 1510:20 Unique 2.65, 3.60 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1799,1800,
&end
#
# 0 AMB 20-2:1511 111 LYS HA 3.50 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1208,1209, 411, 412, 413, 415, 416, 417, 411, 412,
413, 415, 416, 417,
&end
#
# 0 AMB 20-2:1512 111 LYS HA 2.80 (# 1512:20 Single Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
&end
#
# 30 TYR HD 28 ALA MB 4.50 (# 1513:20 Unique 3.03, 6.39 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 481, 490,
igr2= 445, 446, 447,
&end
#
# 28 ALA HN 28 ALA MB 3.50 (# 1514:20 Unique 2.79, 3.57 A)
&rst
ixpk= 1514, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 445, 446, 447,
&end
#
# 30 TYR HE 28 ALA MB 3.50 (# 1515:20 Unique 2.25, 5.92 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 483, 488,
igr2= 445, 446, 447,
&end
#
# 130 ASP HN 0 AMB 20-1:1516 3.50 (# 1516:20 Single Ambig)
&rst
ixpk= 1516, nxpk= 20, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2170,2171,2172,2174,2175,2176,2090,2091,2092,2094,
2095,2096,
&end
#
# 0 AMB 20-2:1518 0 AMB 20-1:1518 4.50 (# 1518:20 Double Ambig)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=2119,2365,2180,
igr2=2090,2091,2092,2094,2095,2096,2374,2375,2376,2378,
2379,2380,2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:1519 148 LEU MDY 2.80 (# 1519:20 Single Ambig)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2369,2370,2369,2370,2372,
igr2=2374,2375,2376,2378,2379,2380,
&end
#
# 52 THR HN 52 THR HA 4.50 (# 1520:20 Unique 2.68, 2.80 A)
&rst
ixpk= 1520, nxpk= 20, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 THR HB 52 THR HA 3.50 (# 1521:20 Unique 2.38, 2.52 A)
&rst
ixpk= 1521, nxpk= 20, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR MG2 52 THR HA 3.50 (# 1522:20 Unique 2.73, 4.25 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 908, 909, 910,
&end
#
# 52 THR MG2 52 THR HA 2.80 (# 1523:20 Unique 2.23, 3.19 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 853, 854, 855,
&end
#
# 96 CYS HN 96 CYS HA 4.50 (# 1524:20 Unique 2.68, 2.83 A)
&rst
ixpk= 1524, nxpk= 20, iat=1545,1547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 CYS HB- 96 CYS HA 4.50 (# 1525:20 Unique 2.36, 2.78 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1549,1550,
&end
#
# 0 AMB 20-2:1526 96 CYS HA 4.50 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2225,2226,1599,1600,
&end
#
# 109 VAL MGX 0 AMB 20-1:1527 2.80 (# 1527:20 Single Ambig)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1639,1641,1642,1641,1642,
&end
#
# 0 AMB 20-2:1528 0 AMB 20-1:1528 5.50 (# 1528:20 Double Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 283,1399,
igr2= 445, 446, 447,1068,1069,1070,
&end
#
# 0 AMB 20-2:1529 0 AMB 20-1:1529 3.50 (# 1529:20 Double Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1062, 451, 983,
igr2=1068,1069,1070, 445, 446, 447,
&end
#
# 17 LEU HA 28 ALA MB 4.50 (# 1530:20 Unique 2.10, 4.00 A)
&rst
ixpk= 1530, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 445, 446, 447,
&end
#
# 0 AMB 20-2:1531 28 ALA MB 3.50 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 388, 389, 388, 389,
igr2= 445, 446, 447,
&end
#
# 30 TYR HH 28 ALA MB 4.50 (# 1532:20 Unique 3.85, 5.45 A)
&rst
ixpk= 1532, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 445, 446, 447,
&end
#
# 14 LYS HN 13 VAL MGY 3.50 (# 1533:20 Unique 1.94, 3.93 A)
&rst
ixpk= 1533, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 13 VAL HN 13 VAL MGY 2.80 (# 1534:20 Unique 2.03, 3.96 A)
&rst
ixpk= 1534, nxpk= 20, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 31 TYR HD 13 VAL MGY 4.50 (# 1535:20 Unique 2.00, 6.64 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 502, 511,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1536 0 AMB 20-1:1536 2.80 (# 1536:20 Double Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2042,2043,2042,2043, 498, 499,
igr2=2002,2003,2004,2006,2007,2008, 203, 204, 205, 207,
208, 209,
&end
#
# 0 AMB 20-2:1537 13 VAL MGY 2.80 (# 1537:20 Single Ambig)
&rst
ixpk= 1537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 201,2152,2153,2152,2153,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 123 LEU HB- 123 LEU MDY 2.80 (# 1538:20 Unique 2.01, 3.27 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1997,1998,
igr2=2002,2003,2004,2006,2007,2008,
&end
#
# 129 VAL MGX 13 VAL MGY 4.50 (# 1539:20 Unique 1.98, 4.66 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2090,2091,2092,2094,2095,2096,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 123 LEU HN 123 LEU MDY 4.50 (# 1540:20 Unique 3.13, 4.52 A)
&rst
ixpk= 1540, nxpk= 20, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2002,2003,2004,2006,2007,2008,
&end
#
# 0 AMB 20-2:1541 13 VAL MGY 4.50 (# 1541:20 Single Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2119,2126,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1542 0 AMB 20-1:1542 2.80 (# 1542:20 Double Ambig)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 199,1995,2128,
igr2= 203, 204, 205, 207, 208, 209,2002,2003,2004,2006,
2007,2008,
&end
#
# 0 AMB 20-2:1543 123 LEU MDY 4.50 (# 1543:20 Single Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1949,1950,1949,1950,2014,
igr2=2002,2003,2004,2006,2007,2008,
&end
#
# 132 GLY HA+ 13 VAL MGY 3.50 (# 1544:20 Unique 1.99, 5.34 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2121,2122,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1545 0 AMB 20-1:1545 2.80 (# 1545:20 Double Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1997,1998,2000, 255, 256,1936,1937,1936,1937,
igr2=2002,2003,2004,2006,2007,2008, 203, 204, 205, 207,
208, 209,
&end
#
# 14 LYS HN 13 VAL HA 3.50 (# 1546:20 Unique 2.18, 2.42 A)
&rst
ixpk= 1546, nxpk= 20, iat= 213, 199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 VAL HN 13 VAL HA 4.50 (# 1547:20 Unique 2.21, 2.59 A)
&rst
ixpk= 1547, nxpk= 20, iat= 197, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL MGY 13 VAL HA 2.80 (# 1548:20 Unique 1.99, 3.25 A)
&rst
ixpk= 1548, nxpk= 20, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1549 0 AMB 20-1:1549 4.50 (# 1549:20 Double Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1301,2100, 183,1575,
igr2= 203, 204, 205, 207, 208, 209,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 31 TYR HE 13 VAL MGY 4.50 (# 1550:20 Unique 2.36, 7.42 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 504, 509,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1551 0 AMB 20-1:1551 3.50 (# 1551:20 Double Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 941,1452, 187,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 203, 204, 205, 207, 208, 209,
&end
#
# 135 LEU HN 135 LEU MDY 4.50 (# 1552:20 Unique 2.20, 4.57 A)
&rst
ixpk= 1552, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:1553 135 LEU MDY 2.80 (# 1553:20 Single Ambig)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2104,2105,2104,2105,
igr2=2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:1555 13 VAL HA 4.50 (# 1555:20 Single Ambig)
&rst
ixpk= 1555, nxpk= 20, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 201, 217, 218, 223, 224,
&end
#
# 143 VAL MGY 100 SER HB+ 5.50 (# 1556:20 Unique 2.18, 5.63 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1611,1612,
&end
#
# 0 AMB 20-2:1557 66 THR MG2 4.50 (# 1557:20 Single Ambig)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1320, 973,
igr2=1068,1069,1070,
&end
#
# 67 VAL HN 66 THR MG2 3.50 (# 1558:20 Unique 2.26, 3.94 A)
&rst
ixpk= 1558, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1068,1069,1070,
&end
#
# 66 THR HA 66 THR MG2 2.80 (# 1560:20 Unique 2.23, 3.15 A)
&rst
ixpk= 1560, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1068,1069,1070,
&end
#
# 0 AMB 20-2:1561 66 THR MG2 2.80 (# 1561:20 Single Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1342,1343,1066,
igr2=1068,1069,1070,
&end
#
# 87 GLU HG- 66 THR MG2 3.50 (# 1562:20 Unique 1.98, 4.83 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1406,1407,
igr2=1068,1069,1070,
&end
#
# 87 GLU HB- 66 THR MG2 2.80 (# 1563:20 Unique 1.98, 3.21 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1403,1404,
igr2=1068,1069,1070,
&end
#
# 0 AMB 20-2:1564 66 THR MG2 2.80 (# 1564:20 Single Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 990, 964, 965, 987, 988, 987, 988,
igr2=1068,1069,1070,
&end
#
# 0 AMB 20-2:1565 0 AMB 20-1:1565 5.50 (# 1565:20 Double Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1092, 402,1385,
igr2=1068,1069,1070, 445, 446, 447,
&end
#
# 38 VAL HA 38 VAL MGY 2.80 (# 1566:20 Unique 2.29, 3.12 A)
&rst
ixpk= 1566, nxpk= 20, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 146 VAL HN 0 AMB 20-1:1567 2.80 (# 1567:20 Single Ambig)
&rst
ixpk= 1567, nxpk= 20, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:1568 0 AMB 20-1:1568 4.50 (# 1568:20 Double Ambig)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2315,1915,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,1876,1877,1878,1880,1881,1882,
&end
#
# 147 ALA HN 0 AMB 20-1:1569 4.50 (# 1569:20 Single Ambig)
&rst
ixpk= 1569, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 145 ARG HA 0 AMB 20-1:1570 4.50 (# 1570:20 Single Ambig)
&rst
ixpk= 1570, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 146 VAL HA 0 AMB 20-1:1571 2.80 (# 1571:20 Single Ambig)
&rst
ixpk= 1571, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 127 GLU HG- 0 AMB 20-1:1572 4.50 (# 1572:20 Single Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2057,2058,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:1573 0 AMB 20-1:1573 2.80 (# 1573:20 Double Ambig)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2343,2054,2055,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:1574 0 AMB 20-1:1574 2.80 (# 1574:20 Double Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2388,2389,2388,2389,2388,2389,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 123 LEU HB- 0 AMB 20-1:1575 4.50 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1997,1998,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 124 ALA MB 0 AMB 20-1:1576 2.80 (# 1576:20 Single Ambig)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2016,2017,2018,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 109 VAL HN 109 VAL MGY 4.50 (# 1577:20 Unique 1.95, 3.86 A)
&rst
ixpk= 1577, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 98 PHE HE 109 VAL MGY 2.80 (# 1578:20 Unique 2.02, 6.42 A)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1585,1589,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:1580 109 VAL MGY 4.50 (# 1580:20 Single Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1639,1641,1642,1641,1642,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL HA 109 VAL MGY 2.80 (# 1581:20 Unique 2.04, 3.41 A)
&rst
ixpk= 1581, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:1582 0 AMB 20-1:1582 2.80 (# 1582:20 Double Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1765,1729,1730,2187,2188,2187,2188,
igr2=1767,1768,1769,1771,1772,1773,2170,2171,2172,2174,
2175,2176,
&end
#
# 132 GLY HN 129 VAL MGX 4.50 (# 1584:20 Unique 1.95, 4.91 A)
&rst
ixpk= 1584, nxpk= 20, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 132 GLY HA- 129 VAL MGX 4.50 (# 1585:20 Unique 2.07, 5.55 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2121,2122,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:1586 129 VAL MGX 4.50 (# 1586:20 Single Ambig)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 201,2146,2152,2153,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:1588 0 AMB 20-1:1588 2.80 (# 1588:20 Double Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 682, 683, 682, 683,1268,1269,
igr2= 605, 606, 607, 609, 610, 611,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:1589 0 AMB 20-1:1589 2.80 (# 1589:20 Double Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 599,1301,
igr2= 605, 606, 607, 609, 610, 611,1082,1083,1084,1086,
1087,1088,
&end
#
# 39 LYS HN 38 VAL MGY 3.50 (# 1590:20 Unique 3.04, 4.11 A)
&rst
ixpk= 1590, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1591 38 VAL MGY 4.50 (# 1591:20 Single Ambig)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 617, 592, 593, 671,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 38 VAL HB 38 VAL MGY 2.80 (# 1592:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1592, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1593 0 AMB 20-1:1593 2.80 (# 1593:20 Double Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1311,1312, 679, 680, 676, 677,
igr2=1082,1083,1084,1086,1087,1088, 605, 606, 607, 609,
610, 611,
&end
#
# 0 AMB 20-2:1594 0 AMB 20-1:1594 4.50 (# 1594:20 Double Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1116,1125, 664, 665,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 239, 240, 241,
&end
#
# 68 VAL HA 0 AMB 20-1:1595 2.80 (# 1595:20 Single Ambig)
&rst
ixpk= 1595, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 20-2:1596 0 AMB 20-1:1596 2.80 (# 1596:20 Double Ambig)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1476,1477,1476,1477,1476,1477,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 20-2:1597 19 LEU MDY 2.80 (# 1597:20 Single Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 268, 269, 385, 386,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 19 LEU HN 19 LEU MDY 4.50 (# 1598:20 Unique 2.00, 4.08 A)
&rst
ixpk= 1598, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 18 ILE HN 19 LEU MDY 5.50 (# 1599:20 Unique 2.78, 5.77 A)
&rst
ixpk= 1599, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 26 LEU HN 19 LEU MDY 3.50 (# 1600:20 Unique 2.49, 5.64 A)
&rst
ixpk= 1600, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 20 ASP HN 19 LEU MDY 4.50 (# 1601:20 Unique 3.31, 5.28 A)
&rst
ixpk= 1601, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 25 ARG HN 19 LEU MDY 3.50 (# 1602:20 Unique 2.21, 5.50 A)
&rst
ixpk= 1602, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 19 LEU HA 19 LEU MDY 2.80 (# 1603:20 Unique 1.94, 4.21 A)
&rst
ixpk= 1603, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 24 ASP HA 19 LEU MDY 4.50 (# 1604:20 Unique 3.17, 6.69 A)
&rst
ixpk= 1604, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 25 ARG HA 19 LEU MDY 2.80 (# 1605:20 Unique 1.98, 4.10 A)
&rst
ixpk= 1605, nxpk= 20, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1606 19 LEU MDY 4.50 (# 1606:20 Single Ambig)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 723, 388, 389, 388, 389, 425, 426,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:1607 19 LEU MDY 2.80 (# 1607:20 Single Ambig)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 382, 383, 725, 726, 309,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 130 ASP HN 129 VAL MGX 3.50 (# 1608:20 Unique 2.18, 4.52 A)
&rst
ixpk= 1608, nxpk= 20, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 129 VAL HB 129 VAL MGX 3.50 (# 1610:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1610, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 129 VAL HN 129 VAL MGX 4.50 (# 1611:20 Unique 1.95, 3.92 A)
&rst
ixpk= 1611, nxpk= 20, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 134 ILE HN 133 VAL HA 2.80 (# 1613:20 Unique 2.18, 2.36 A)
&rst
ixpk= 1613, nxpk= 20, iat=2142,2128, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 VAL HN 133 VAL HA 4.50 (# 1614:20 Unique 2.21, 2.73 A)
&rst
ixpk= 1614, nxpk= 20, iat=2126,2128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ALA HN 60 ALA MB 2.80 (# 1615:20 Unique 2.31, 3.30 A)
&rst
ixpk= 1615, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 977, 978, 979,
&end
#
# 67 VAL HN 60 ALA MB 4.50 (# 1616:20 Unique 2.33, 4.22 A)
&rst
ixpk= 1616, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 977, 978, 979,
&end
#
# 61 LEU HN 60 ALA MB 2.80 (# 1617:20 Unique 1.94, 3.28 A)
&rst
ixpk= 1617, nxpk= 20, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 977, 978, 979,
&end
#
# 69 TYR HD 60 ALA MB 3.50 (# 1618:20 Unique 2.22, 5.51 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1116,1125,
igr2= 977, 978, 979,
&end
#
# 0 AMB 20-2:1619 60 ALA MB 4.50 (# 1619:20 Single Ambig)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 956, 985,
igr2= 977, 978, 979,
&end
#
# 67 VAL HB 60 ALA MB 5.50 (# 1620:20 Unique 1.97, 5.01 A)
&rst
ixpk= 1620, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 977, 978, 979,
&end
#
# 0 AMB 20-2:1621 60 ALA MB 4.50 (# 1621:20 Single Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 964, 965,1006,1007,1006,1007, 990,
igr2= 977, 978, 979,
&end
#
# 0 AMB 20-2:1622 60 ALA MB 2.80 (# 1622:20 Single Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 977, 978, 979,
&end
#
# 62 LEU MDY 60 ALA MB 2.80 (# 1623:20 Unique 2.03, 5.48 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1011,1012,1013,1015,1016,1017,
igr2= 977, 978, 979,
&end
#
# 52 THR MG2 60 ALA MB 3.50 (# 1624:20 Unique 1.98, 3.56 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 853, 854, 855,
igr2= 977, 978, 979,
&end
#
# 0 AMB 20-2:1625 125 VAL MGX 4.50 (# 1625:20 Single Ambig)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2084,2012,
igr2=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:1626 0 AMB 20-1:1626 3.50 (# 1626:20 Double Ambig)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2022, 162,
igr2=2028,2029,2030,2032,2033,2034, 189, 190, 191,
&end
#
# 0 AMB 20-2:1627 0 AMB 20-1:1627 2.80 (# 1627:20 Double Ambig)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2038, 170, 179, 431, 435,
igr2=2028,2029,2030,2032,2033,2034, 189, 190, 191,
&end
#
# 0 AMB 20-2:1628 0 AMB 20-1:1628 2.80 (# 1628:20 Double Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 504, 509,1359,1364, 172, 177,
igr2=2028,2029,2030,2032,2033,2034, 189, 190, 191,
&end
#
# 125 VAL HA 125 VAL MGX 3.50 (# 1629:20 Unique 1.99, 3.22 A)
&rst
ixpk= 1629, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:1630 0 AMB 20-1:1630 4.50 (# 1630:20 Double Ambig)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 166, 167,2042,2043,
igr2= 189, 190, 191,2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:1631 0 AMB 20-1:1631 3.50 (# 1631:20 Double Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1457, 461, 462,
igr2=1068,1069,1070,2028,2029,2030,2032,2033,2034,
&end
#
# 129 VAL MGX 125 VAL MGX 5.50 (# 1632:20 Unique 2.05, 6.69 A)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2090,2091,2092,2094,2095,2096,
igr2=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:1633 0 AMB 20-1:1633 5.50 (# 1633:20 Double Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1993,1349,
igr2=2028,2029,2030,2032,2033,2034,1068,1069,1070, 189,
190, 191,
&end
#
# 133 VAL HA 12 THR MG2 3.50 (# 1634:20 Unique 2.02, 3.50 A)
&rst
ixpk= 1634, nxpk= 20, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 189, 190, 191,
&end
#
# 0 AMB 20-2:1635 0 AMB 20-1:1635 2.80 (# 1635:20 Double Ambig)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1331,1332, 187,
igr2=1068,1069,1070, 189, 190, 191,
&end
#
# 0 AMB 20-2:1636 67 VAL MGY 4.50 (# 1636:20 Single Ambig)
&rst
ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1320, 973,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1637 67 VAL MGY 3.50 (# 1637:20 Single Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1285,1076,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 68 VAL HN 67 VAL MGY 3.50 (# 1638:20 Unique 1.94, 4.33 A)
&rst
ixpk= 1638, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 62 LEU HN 67 VAL MGY 4.50 (# 1639:20 Unique 2.18, 5.49 A)
&rst
ixpk= 1639, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1640 0 AMB 20-1:1640 3.50 (# 1640:20 Double Ambig)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1116,1125, 664, 665,
igr2=1082,1083,1084,1086,1087,1088, 605, 606, 607, 609,
610, 611,
&end
#
# 78 TYR HE 67 VAL MGY 5.50 (# 1641:20 Unique 2.81, 7.13 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1274,1279,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 78 TYR HA 67 VAL MGY 5.50 (# 1642:20 Unique 2.68, 5.14 A)
&rst
ixpk= 1642, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 80 ILE HA 67 VAL MGY 5.50 (# 1643:20 Unique 1.98, 4.15 A)
&rst
ixpk= 1643, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 67 VAL HB 67 VAL MGY 2.80 (# 1644:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1644, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 48 ILE QG2 67 VAL MGY 4.50 (# 1645:20 Unique 1.98, 5.40 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 778, 779, 780,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 68 VAL HN 0 AMB 20-1:1646 2.80 (# 1646:20 Single Ambig)
&rst
ixpk= 1646, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 68 VAL HB 0 AMB 20-1:1648 2.80 (# 1648:20 Single Ambig)
&rst
ixpk= 1648, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 20-2:1649 0 AMB 20-1:1649 2.80 (# 1649:20 Double Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1289,1480,1481,1482,1516,1517,1516,1517,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 20-2:1650 0 AMB 20-1:1650 2.80 (# 1650:20 Double Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 494,1108, 245,
igr2= 239, 240, 241,1098,1099,1100,1102,1103,1104,1098,
1099,1100,1102,1103,1104,
&end
#
# 15 ALA HN 15 ALA MB 4.50 (# 1651:20 Unique 2.65, 3.47 A)
&rst
ixpk= 1651, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 239, 240, 241,
&end
#
# 0 AMB 20-2:1652 0 AMB 20-1:1652 2.80 (# 1652:20 Double Ambig)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 956, 237,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 239, 240, 241,
&end
#
# 133 VAL HB 133 VAL HA 4.50 (# 1653:20 Unique 2.39, 2.78 A)
&rst
ixpk= 1653, nxpk= 20, iat=2130,2128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 THR MG2 133 VAL HA 4.50 (# 1655:20 Unique 2.02, 3.50 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 189, 190, 191,
&end
#
# 0 AMB 20-2:1656 133 VAL HA 2.80 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2132,2133,2134,2136,2137,2138,2132,2133,2134,2136,
2137,2138,
&end
#
# 0 AMB 20-2:1657 49 PHE HA 3.50 (# 1657:20 Single Ambig)
&rst
ixpk= 1657, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 791, 811,
&end
#
# 49 PHE HD 49 PHE HA 4.50 (# 1658:20 Unique 2.31, 3.53 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 799, 807,
&end
#
# 0 AMB 20-2:1659 49 PHE HA 2.80 (# 1659:20 Single Ambig)
&rst
ixpk= 1659, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 795, 796, 795, 796,
&end
#
# 0 AMB 20-2:1660 49 PHE HA 4.50 (# 1660:20 Single Ambig)
&rst
ixpk= 1660, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1011,1012,1013,1015,1016,1017,
&end
#
# 79 VAL HN 0 AMB 20-1:1661 3.50 (# 1661:20 Single Ambig)
&rst
ixpk= 1661, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1291,1292,1293,1295,1296,1297,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 0 AMB 20-2:1662 0 AMB 20-1:1662 4.50 (# 1662:20 Double Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1301,1575,
igr2= 239, 240, 241,1098,1099,1100,1102,1103,1104,1098,
1099,1100,1102,1103,1104,
&end
#
# 30 TYR HD 15 ALA MB 3.50 (# 1663:20 Unique 2.16, 4.37 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 481, 490,
igr2= 239, 240, 241,
&end
#
# 30 TYR HE 15 ALA MB 7.00 (# 1664:20 Unique 3.45, 5.11 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 483, 488,
igr2= 239, 240, 241,
&end
#
# 30 TYR HA 15 ALA MB 2.80 (# 1665:20 Unique 1.98, 2.77 A)
&rst
ixpk= 1665, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 239, 240, 241,
&end
#
# 81 GLY HN 90 LEU MDY 4.50 (# 1666:20 Unique 2.15, 4.56 A)
&rst
ixpk= 1666, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 89 MET HN 90 LEU MDY 4.50 (# 1667:20 Unique 3.22, 5.43 A)
&rst
ixpk= 1667, nxpk= 20, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1668 90 LEU MDY 2.80 (# 1668:20 Single Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1452,1331,1332,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 89 MET HG+ 90 LEU MDY 3.50 (# 1669:20 Unique 1.95, 3.96 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1440,1441,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1670 90 LEU MDY 4.50 (# 1670:20 Single Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1469,1338,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1671 90 LEU MDY 2.80 (# 1671:20 Single Ambig)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1403,1404,1437,1438,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 90 LEU HG 90 LEU MDY 2.80 (# 1672:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1672, nxpk= 20, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:1673 0 AMB 20-1:1673 4.50 (# 1673:20 Double Ambig)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1672,1673, 370, 371, 425, 426,
igr2=1627,1628,1629,1631,1632,1633, 311, 312, 313, 315,
316, 317,
&end
#
# 57 SER HN 55 THR MG2 4.50 (# 1674:20 Unique 1.94, 3.46 A)
&rst
ixpk= 1674, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 908, 909, 910,
&end
#
# 94 LEU HN 79 VAL MGX 3.50 (# 1675:20 Unique 2.59, 4.37 A)
&rst
ixpk= 1675, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1291,1292,1293,1295,1296,1297,
&end
#
# 94 LEU HA 79 VAL MGX 2.80 (# 1676:20 Unique 1.98, 4.09 A)
&rst
ixpk= 1676, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1291,1292,1293,1295,1296,1297,
&end
#
# 0 AMB 20-2:1677 0 AMB 20-1:1677 4.50 (# 1677:20 Double Ambig)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1486,1993,
igr2=1502,1503,1504,1506,1507,1508,2345,2346,2347,2349,
2350,2351,2345,2346,2347,2349,2350,2351,
&end
#
# 0 AMB 20-2:1678 0 AMB 20-1:1678 4.50 (# 1678:20 Double Ambig)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2384,2365,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:1679 0 AMB 20-1:1679 3.50 (# 1679:20 Double Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2357,1995,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 146 VAL HA 0 AMB 20-1:1680 2.80 (# 1680:20 Single Ambig)
&rst
ixpk= 1680, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:1681 0 AMB 20-1:1681 2.80 (# 1681:20 Double Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2343,2054,2055,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:1682 0 AMB 20-1:1682 2.80 (# 1682:20 Double Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2388,2389,2388,2389,2388,2389,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 123 LEU HB- 0 AMB 20-1:1683 2.80 (# 1683:20 Single Ambig)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1997,1998,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 14 LYS HN 13 VAL MGX 4.50 (# 1684:20 Unique 1.94, 3.93 A)
&rst
ixpk= 1684, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1686 13 VAL MGX 2.80 (# 1686:20 Single Ambig)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 199,2128,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:1687 13 VAL MGX 2.80 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 201,2152,2153,2152,2153,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 129 VAL MGX 13 VAL MGX 4.50 (# 1688:20 Unique 1.98, 4.66 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2090,2091,2092,2094,2095,2096,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 55 THR HN 55 THR MG2 5.50 (# 1689:20 Unique 1.94, 4.03 A)
&rst
ixpk= 1689, nxpk= 20, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 69 TYR HD 55 THR MG2 5.50 (# 1690:20 Unique 3.48, 6.46 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1116,1125,
igr2= 908, 909, 910,
&end
#
# 55 THR HA 55 THR MG2 2.80 (# 1691:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1691, nxpk= 20, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 908, 909, 910,
&end
#
# 55 THR HB 55 THR MG2 2.80 (# 1692:20 Unique 2.28, 2.69 A)
&rst
ixpk= 1692, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 908, 909, 910,
&end
#
# 0 AMB 20-2:1693 0 AMB 20-1:1693 2.80 (# 1693:20 Double Ambig)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1450,2126,
igr2=1459,1460,1461,1463,1464,1465,2132,2133,2134,2136,
2137,2138,
&end
#
# 11 TYR HE 133 VAL MGX 5.50 (# 1694:20 Unique 2.00, 8.19 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 172, 177,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 133 VAL HA 133 VAL MGX 2.80 (# 1695:20 Unique 2.12, 3.28 A)
&rst
ixpk= 1695, nxpk= 20, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 109 VAL HB 101 LEU MDY 2.80 (# 1696:20 Unique 1.99, 5.57 A)
&rst
ixpk= 1696, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1697 101 LEU MDY 4.50 (# 1697:20 Single Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1637,1682,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 101 LEU HN 101 LEU MDY 4.50 (# 1698:20 Unique 1.92, 3.78 A)
&rst
ixpk= 1698, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 121 LEU HN 101 LEU MDY 4.50 (# 1699:20 Unique 3.30, 5.95 A)
&rst
ixpk= 1699, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1700 101 LEU MDY 5.50 (# 1700:20 Single Ambig)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1585,1589,1252,1260,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1701 101 LEU MDY 2.80 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1620,1850,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1702 101 LEU MDY 5.50 (# 1702:20 Single Ambig)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1641,1642,1641,1642,1639,1949,1950,1949,1950,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1703 101 LEU MDY 2.80 (# 1703:20 Single Ambig)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1676,1677,1678,1625,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1704 101 LEU MDY 2.80 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1958,1959,2016,2017,2018,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:1705 0 AMB 20-1:1705 3.50 (# 1705:20 Double Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1496,2355,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,
&end
#
# 0 AMB 20-2:1706 143 VAL MGX 2.80 (# 1706:20 Single Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1665,2282,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1707 0 AMB 20-1:1707 2.80 (# 1707:20 Double Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 187,2234,1667,
igr2=2132,2133,2134,2136,2137,2138,2288,2289,2290,2292,
2293,2294,
&end
#
# 0 AMB 20-2:1708 0 AMB 20-1:1708 2.80 (# 1708:20 Double Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1498,2284,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,
&end
#
# 0 AMB 20-2:1709 0 AMB 20-1:1709 4.50 (# 1709:20 Double Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
igr1=1549,1550,2302,2303,2302,2303,2121,2122,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,2132,2133,2134,2136,2137,2138,
&end
#
# 104 MET HG- 143 VAL MGX 3.50 (# 1710:20 Unique 1.98, 4.32 A)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1672,1673,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1711 143 VAL MGX 2.80 (# 1711:20 Single Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1669,1670,1669,1670,2286,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1712 0 AMB 20-1:1712 4.50 (# 1712:20 Double Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2012,1682,2339,1545,1607,
igr2=2288,2289,2290,2292,2293,2294,1502,1503,1504,1506,
1507,1508,
&end
#
# 134 ILE HN 133 VAL MGX 3.50 (# 1713:20 Unique 1.94, 3.95 A)
&rst
ixpk= 1713, nxpk= 20, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 11 TYR HD 133 VAL MGX 4.50 (# 1714:20 Unique 2.70, 7.24 A)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 170, 179,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 0 AMB 20-2:1715 133 VAL MGX 4.50 (# 1715:20 Single Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2104,2105,2104,2105,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 133 VAL HB 133 VAL MGX 2.80 (# 1716:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1716, nxpk= 20, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 51 LYS HB+ 52 THR MG2 4.50 (# 1717:20 Unique 2.81, 4.57 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 829, 830,
igr2= 853, 854, 855,
&end
#
# 0 AMB 20-2:1718 52 THR MG2 2.80 (# 1718:20 Single Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 853, 854, 855,
&end
#
# 56 ASP HN 55 THR HA 4.50 (# 1722:20 Unique 2.27, 2.69 A)
&rst
ixpk= 1722, nxpk= 20, iat= 916, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR HN 55 THR HA 4.50 (# 1723:20 Unique 2.26, 2.79 A)
&rst
ixpk= 1723, nxpk= 20, iat= 902, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR MG2 55 THR HA 2.80 (# 1724:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 908, 909, 910,
&end
#
# 94 LEU HN 93 VAL MGX 3.50 (# 1725:20 Unique 2.05, 4.34 A)
&rst
ixpk= 1725, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 93 VAL HB 93 VAL MGX 2.80 (# 1726:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1726, nxpk= 20, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:1727 0 AMB 20-1:1727 2.80 (# 1727:20 Double Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=2359,2360,2361,1560,1561,2168, 147, 148, 147, 148,
igr2=2288,2289,2290,2292,2293,2294,1502,1503,1504,1506,
1507,1508,2132,2133,2134,2136,2137,2138,
&end
#
# 133 VAL HN 133 VAL MGY 3.50 (# 1728:20 Unique 1.96, 3.89 A)
&rst
ixpk= 1728, nxpk= 20, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 0 AMB 20-2:1729 0 AMB 20-1:1729 2.80 (# 1729:20 Double Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2128,2357,
igr2=2132,2133,2134,2136,2137,2138,2288,2289,2290,2292,
2293,2294,
&end
#
# 52 THR HN 52 THR MG2 4.50 (# 1731:20 Unique 1.83, 3.03 A)
&rst
ixpk= 1731, nxpk= 20, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 853, 854, 855,
&end
#
# 69 TYR HD 52 THR MG2 3.50 (# 1732:20 Unique 1.99, 4.27 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1116,1125,
igr2= 853, 854, 855,
&end
#
# 78 TYR HE 52 THR MG2 3.50 (# 1733:20 Unique 1.97, 4.69 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1274,1279,
igr2= 853, 854, 855,
&end
#
# 52 THR HA 52 THR MG2 2.80 (# 1734:20 Unique 2.23, 3.19 A)
&rst
ixpk= 1734, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 853, 854, 855,
&end
#
# 52 THR HB 52 THR MG2 2.80 (# 1735:20 Unique 2.28, 2.69 A)
&rst
ixpk= 1735, nxpk= 20, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 853, 854, 855,
&end
#
# 60 ALA MB 52 THR MG2 3.50 (# 1737:20 Unique 1.98, 3.56 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 977, 978, 979,
igr2= 853, 854, 855,
&end
#
# 48 ILE QG2 52 THR MG2 4.50 (# 1738:20 Unique 2.37, 4.93 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 778, 779, 780,
igr2= 853, 854, 855,
&end
#
# 35 TYR HN 34 THR MG2 4.50 (# 1739:20 Unique 1.89, 4.30 A)
&rst
ixpk= 1739, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 545, 546, 547,
&end
#
# 34 THR HN 34 THR MG2 4.50 (# 1740:20 Unique 2.48, 4.00 A)
&rst
ixpk= 1740, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 545, 546, 547,
&end
#
# 35 TYR HD 34 THR MG2 4.50 (# 1741:20 Unique 1.97, 5.24 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 561, 570,
igr2= 545, 546, 547,
&end
#
# 35 TYR HE 34 THR MG2 3.50 (# 1742:20 Unique 2.09, 5.19 A)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 568,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1743 34 THR MG2 5.50 (# 1743:20 Single Ambig)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 555, 529,
igr2= 545, 546, 547,
&end
#
# 34 THR HB 34 THR MG2 2.80 (# 1744:20 Unique 2.28, 2.69 A)
&rst
ixpk= 1744, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 545, 546, 547,
&end
#
# 34 THR HA 34 THR MG2 2.80 (# 1745:20 Unique 2.16, 3.14 A)
&rst
ixpk= 1745, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:1746 34 THR MG2 4.50 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 226, 227, 226, 227,
igr2= 545, 546, 547,
&end
#
# 5 ILE HB 5 ILE HA 3.50 (# 1747:20 Unique 2.99, 3.01 A)
&rst
ixpk= 1747, nxpk= 20, iat= 69, 67, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1748 5 ILE HA 5.50 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 88, 89, 88, 89, 53, 50, 51, 50, 51,
&end
#
# 5 ILE HG1+ 5 ILE HA 4.50 (# 1749:20 Unique 2.20, 2.92 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 75, 76,
&end
#
# 0 AMB 20-2:1750 5 ILE HA 2.80 (# 1750:20 Single Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 78, 79, 80, 71, 72, 73,
&end
#
# 0 AMB 20-2:1751 67 VAL MGX 2.80 (# 1751:20 Single Ambig)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1285,1076,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1752 67 VAL MGX 5.50 (# 1752:20 Single Ambig)
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 711, 715, 767, 768,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 80 ILE HA 67 VAL MGX 4.50 (# 1753:20 Unique 1.98, 4.15 A)
&rst
ixpk= 1753, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 66 THR HA 67 VAL MGX 4.50 (# 1754:20 Unique 3.34, 5.47 A)
&rst
ixpk= 1754, nxpk= 20, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 67 VAL HB 67 VAL MGX 2.80 (# 1755:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1755, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1756 67 VAL MGX 2.80 (# 1756:20 Single Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1311,1312,1006,1007,1006,1007,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 134 ILE HN 133 VAL MGY 3.50 (# 1757:20 Unique 1.94, 3.95 A)
&rst
ixpk= 1757, nxpk= 20, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 133 VAL HB 133 VAL MGY 2.80 (# 1758:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1758, nxpk= 20, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 0 AMB 20-2:1759 44 PHE HA 2.80 (# 1759:20 Single Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 767, 768, 701,
&end
#
# 44 PHE HD 44 PHE HA 2.80 (# 1760:20 Unique 2.20, 3.54 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 709, 717,
&end
#
# 0 AMB 20-2:1761 44 PHE HA 2.80 (# 1761:20 Single Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 762, 763, 762, 763,
&end
#
# 44 PHE HB- 44 PHE HA 3.50 (# 1762:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 705, 706,
&end
#
# 6 LEU HN 5 ILE HA 2.80 (# 1763:20 Unique 2.18, 2.35 A)
&rst
ixpk= 1763, nxpk= 20, iat= 84, 67, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ILE HN 5 ILE HA 3.50 (# 1764:20 Unique 2.68, 2.88 A)
&rst
ixpk= 1764, nxpk= 20, iat= 65, 67, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HG1- 5 ILE HA 3.50 (# 1765:20 Unique 2.20, 2.92 A)
&rst
ixpk= 1765, nxpk= 20, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 75, 76,
&end
#
# 0 AMB 20-2:1766 67 VAL MGX 4.50 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1320, 973,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 68 VAL HN 67 VAL MGX 4.50 (# 1767:20 Unique 1.94, 4.33 A)
&rst
ixpk= 1767, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 62 LEU HN 67 VAL MGX 3.50 (# 1768:20 Unique 2.18, 5.49 A)
&rst
ixpk= 1768, nxpk= 20, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 61 LEU HA 67 VAL MGX 5.50 (# 1769:20 Unique 2.50, 5.59 A)
&rst
ixpk= 1769, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 48 ILE QG2 67 VAL MGX 4.50 (# 1770:20 Unique 1.98, 5.40 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 778, 779, 780,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:1771 38 VAL MGX 3.50 (# 1771:20 Single Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 673, 674, 673, 674, 625, 626,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 42 LYS HG- 38 VAL MGX 2.80 (# 1772:20 Unique 1.99, 5.19 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 676, 677,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 38 VAL HN 38 VAL MGX 3.50 (# 1776:20 Unique 1.94, 3.66 A)
&rst
ixpk= 1776, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 39 LYS HN 38 VAL MGX 2.80 (# 1777:20 Unique 3.04, 4.11 A)
&rst
ixpk= 1777, nxpk= 20, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1778 38 VAL MGX 4.50 (# 1778:20 Single Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 617, 592, 593,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 38 VAL HA 38 VAL MGX 2.80 (# 1779:20 Unique 2.29, 3.12 A)
&rst
ixpk= 1779, nxpk= 20, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1780 38 VAL MGX 2.80 (# 1780:20 Single Ambig)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 682, 683, 682, 683,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 38 VAL HB 38 VAL MGX 2.80 (# 1781:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1781, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1782 38 VAL MGX 2.80 (# 1782:20 Single Ambig)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 679, 680, 676, 677,
igr2= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 20-2:1783 142 VAL MGY 4.50 (# 1783:20 Single Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2315,2022,2195,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1784 142 VAL MGY 5.50 (# 1784:20 Single Ambig)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2339,2012,2084,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 143 VAL HN 142 VAL MGY 3.50 (# 1785:20 Unique 2.03, 4.17 A)
&rst
ixpk= 1785, nxpk= 20, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 142 VAL HN 142 VAL MGY 3.50 (# 1786:20 Unique 2.16, 4.07 A)
&rst
ixpk= 1786, nxpk= 20, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1787 142 VAL MGY 4.50 (# 1787:20 Single Ambig)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1609,2234,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 124 ALA HA 142 VAL MGY 2.80 (# 1788:20 Unique 1.99, 4.34 A)
&rst
ixpk= 1788, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 142 VAL HA 142 VAL MGY 3.50 (# 1789:20 Unique 2.16, 3.23 A)
&rst
ixpk= 1789, nxpk= 20, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 127 GLU HG- 142 VAL MGY 4.50 (# 1790:20 Unique 1.99, 5.16 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2057,2058,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1791 142 VAL MGY 2.80 (# 1791:20 Single Ambig)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2054,2055,2054,2055,2057,2058,2253,2254,2253,2254,
2187,2188,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1792 142 VAL MGY 5.50 (# 1792:20 Single Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2225,2226,1676,1677,1678,1625,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 124 ALA MB 142 VAL MGY 2.80 (# 1793:20 Unique 2.57, 5.62 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2016,2017,2018,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:1794 122 PHE HA 2.80 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1973,2022,
&end
#
# 122 PHE HD 122 PHE HA 3.50 (# 1795:20 Unique 2.18, 3.37 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1981,1989,
&end
#
# 0 AMB 20-2:1797 122 PHE HA 2.80 (# 1797:20 Single Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1977,1978,1977,1978,
&end
#
# 123 LEU HN 122 PHE HA 4.50 (# 1798:20 Unique 3.49, 3.57 A)
&rst
ixpk= 1798, nxpk= 20, iat=1993,1975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 VAL MGY 122 PHE HA 4.50 (# 1799:20 Unique 2.72, 4.88 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:1801 109 VAL MGX 2.80 (# 1801:20 Single Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1639,1641,1642,1641,1642,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL HN 109 VAL MGX 2.80 (# 1803:20 Unique 1.95, 3.86 A)
&rst
ixpk= 1803, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:1804 109 VAL MGX 4.50 (# 1804:20 Single Ambig)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1701,1648,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 77 PHE HE 109 VAL MGX 3.50 (# 1805:20 Unique 2.64, 6.44 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1254,1258,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 108 ASN HA 109 VAL MGX 4.50 (# 1806:20 Unique 3.24, 5.14 A)
&rst
ixpk= 1806, nxpk= 20, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:1807 109 VAL MGX 4.50 (# 1807:20 Single Ambig)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1727,1597,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL HA 109 VAL MGX 2.80 (# 1808:20 Unique 2.04, 3.41 A)
&rst
ixpk= 1808, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:1809 109 VAL MGX 2.80 (# 1809:20 Single Ambig)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1765,1729,1730,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 101 LEU HB+ 109 VAL MGX 2.80 (# 1810:20 Unique 1.97, 4.39 A)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1622,1623,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 119 GLU HN 119 GLU HA 3.50 (# 1811:20 Unique 2.68, 2.80 A)
&rst
ixpk= 1811, nxpk= 20, iat=1932,1934, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 GLY HN 119 GLU HA 3.50 (# 1812:20 Unique 3.49, 3.53 A)
&rst
ixpk= 1812, nxpk= 20, iat=1947,1934, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 PHE HD 119 GLU HA 2.80 (# 1813:20 Unique 2.13, 4.30 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1981,1989,
&end
#
# 0 AMB 20-2:1814 119 GLU HA 3.50 (# 1814:20 Single Ambig)
&rst
ixpk= 1814, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1977,1978,1977,1978,
&end
#
# 0 AMB 20-2:1815 119 GLU HA 2.80 (# 1815:20 Single Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:1816 119 GLU HA 2.80 (# 1816:20 Single Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1936,1937,1936,1937,
&end
#
# 40 GLU HN 39 LYS HA 4.50 (# 1817:20 Unique 3.44, 3.54 A)
&rst
ixpk= 1817, nxpk= 20, iat= 637, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1818 87 GLU HA 3.50 (# 1818:20 Single Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1406,1407,1406,1407,
&end
#
# 0 AMB 20-2:1819 87 GLU HA 2.80 (# 1819:20 Single Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1403,1404,1403,1404,
&end
#
# 66 THR MG2 87 GLU HA 3.50 (# 1820:20 Unique 2.41, 4.51 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1068,1069,1070,
&end
#
# 90 LEU MDX 87 GLU HA 2.80 (# 1821:20 Unique 1.95, 4.04 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1459,1460,1461,1463,1464,1465,
&end
#
# 87 GLU HN 87 GLU HA 4.50 (# 1822:20 Unique 2.17, 2.70 A)
&rst
ixpk= 1822, nxpk= 20, iat=1399,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 LYS HN 39 LYS HA 2.80 (# 1823:20 Unique 2.68, 2.70 A)
&rst
ixpk= 1823, nxpk= 20, iat= 615, 617, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 LEU HN 87 GLU HA 5.50 (# 1824:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1824, nxpk= 20, iat=1414,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 LEU HN 87 GLU HA 4.50 (# 1825:20 Unique 3.29, 3.53 A)
&rst
ixpk= 1825, nxpk= 20, iat=1450,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1826 0 AMB 20-1:1826 2.80 (# 1826:20 Double Ambig)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 673, 674, 673, 674, 625, 626,1871,1872, 673, 674,
1874,1802,1803,
igr2= 617,1816, 671,
&end
#
# 0 AMB 20-2:1827 39 LYS HA 3.50 (# 1827:20 Single Ambig)
&rst
ixpk= 1827, nxpk= 20, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 676, 677, 622, 623,
&end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 2.80 (# 1828:20 Double Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882, 659, 660,
igr2=1816, 671,
&end
#
# 40 GLU HN 40 GLU HA 4.50 (# 1830:20 Unique 2.79, 2.83 A)
&rst
ixpk= 1830, nxpk= 20, iat= 637, 639, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1831 40 GLU HA 3.50 (# 1831:20 Single Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 644, 645, 557, 558,
&end
#
# 0 AMB 20-2:1832 40 GLU HA 2.80 (# 1832:20 Single Ambig)
&rst
ixpk= 1832, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 644, 645, 641, 642,
&end
#
# 43 ALA MB 40 GLU HA 4.50 (# 1833:20 Unique 2.81, 4.60 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 695, 696, 697,
&end
#
# 112 ARG HN 112 ARG HA 3.50 (# 1834:20 Unique 2.62, 2.75 A)
&rst
ixpk= 1834, nxpk= 20, iat=1814,1816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 LEU HN 112 ARG HA 4.50 (# 1835:20 Unique 3.04, 3.31 A)
&rst
ixpk= 1835, nxpk= 20, iat=1867,1816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1836 0 AMB 20-1:1836 2.80 (# 1836:20 Double Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 679, 680, 676, 677,1821,1822, 625, 626,
igr2= 617,1816,
&end
#
# 42 LYS HN 0 AMB 20-1:1837 3.50 (# 1837:20 Single Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 671, 617,
&end
#
# 81 GLY HN 80 ILE QG2 3.50 (# 1838:20 Unique 1.97, 3.30 A)
&rst
ixpk= 1838, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1307,1308,1309,
&end
#
# 80 ILE HN 80 ILE QG2 5.50 (# 1839:20 Unique 4.28, 4.49 A)
&rst
ixpk= 1839, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:1840 80 ILE QG2 4.50 (# 1840:20 Single Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1062, 983,1338,
igr2=1307,1308,1309,
&end
#
# 15 ALA HN 80 ILE QG2 4.50 (# 1841:20 Unique 3.31, 4.57 A)
&rst
ixpk= 1841, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1307,1308,1309,
&end
#
# 80 ILE HA 80 ILE QG2 2.80 (# 1843:20 Unique 2.16, 3.07 A)
&rst
ixpk= 1843, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1307,1308,1309,
&end
#
# 80 ILE HB 80 ILE QG2 2.80 (# 1844:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1844, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:1845 80 ILE QG2 2.80 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 217, 218, 223, 224, 223, 224, 220, 221, 220, 221,
1311,1312,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:1846 80 ILE QG2 2.80 (# 1846:20 Single Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1314,1315,1316,1052,1053,1054,1056,1057,1058,
igr2=1307,1308,1309,
&end
#
# 62 LEU MDX 80 ILE QG2 4.50 (# 1847:20 Unique 2.39, 7.11 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1011,1012,1013,1015,1016,1017,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:1848 80 ILE QG2 7.00 (# 1848:20 Single Ambig)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1=1025,1026, 557, 558,1028,1029,1403,1404, 581, 582,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:1850 0 AMB 20-1:1850 4.50 (# 1850:20 Double Ambig)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2394,2395,2394,2395,1824,1825,1824,1825,
igr2=2317,1816,
&end
#
# 0 AMB 20-2:1851 113 ALA MB 4.50 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1756,1757,1910,1911,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:1852 113 ALA MB 5.50 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1850,1816,
igr2=1842,1843,1844,
&end
#
# 110 GLU HG+ 113 ALA MB 2.80 (# 1853:20 Unique 1.93, 3.55 A)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1784,1785,
igr2=1842,1843,1844,
&end
#
# 31 TYR HN 31 TYR HA 4.50 (# 1854:20 Unique 2.80, 2.91 A)
&rst
ixpk= 1854, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 ASP HN 31 TYR HA 4.50 (# 1855:20 Unique 2.69, 3.12 A)
&rst
ixpk= 1855, nxpk= 20, iat= 515, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1856 31 TYR HA 3.50 (# 1856:20 Single Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499, 464, 465,
&end
#
# 31 TYR HB+ 31 TYR HA 4.50 (# 1857:20 Unique 2.51, 2.83 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 498, 499,
&end
#
# 83 SER HN 83 SER HA 4.50 (# 1858:20 Unique 2.17, 2.61 A)
&rst
ixpk= 1858, nxpk= 20, iat=1338,1340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1859 83 SER HA 4.50 (# 1859:20 Single Ambig)
&rst
ixpk= 1859, nxpk= 20, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1394,1395,1349,
&end
#
# 0 AMB 20-2:1860 83 SER HA 2.80 (# 1860:20 Single Ambig)
&rst
ixpk= 1860, nxpk= 20, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1342,1343,1342,1343,
&end
#
# 0 AMB 20-2:1861 45 GLU HA 3.50 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 273, 274, 275, 277, 278, 279, 311, 312, 313, 315,
316, 317, 311, 312, 313, 315, 316, 317,
&end
#
# 45 GLU HN 45 GLU HA 4.50 (# 1862:20 Unique 2.75, 2.81 A)
&rst
ixpk= 1862, nxpk= 20, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HB- 45 GLU HA 4.50 (# 1863:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1863, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 725, 726,
&end
#
# 112 ARG HN 113 ALA MB 4.50 (# 1864:20 Unique 4.20, 5.37 A)
&rst
ixpk= 1864, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1842,1843,1844,
&end
#
# 114 LEU HN 113 ALA MB 2.80 (# 1865:20 Unique 2.31, 3.35 A)
&rst
ixpk= 1865, nxpk= 20, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1842,1843,1844,
&end
#
# 113 ALA HN 113 ALA MB 2.80 (# 1866:20 Unique 1.98, 2.81 A)
&rst
ixpk= 1866, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1842,1843,1844,
&end
#
# 113 ALA HA 113 ALA MB 2.80 (# 1867:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1867, nxpk= 20, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1842,1843,1844,
&end
#
# 109 VAL HA 113 ALA MB 4.50 (# 1868:20 Unique 1.92, 2.87 A)
&rst
ixpk= 1868, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:1869 113 ALA MB 4.50 (# 1869:20 Single Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1738,1739,1738,1739,1905,1906,
igr2=1842,1843,1844,
&end
#
# 108 ASN HB+ 113 ALA MB 4.50 (# 1870:20 Unique 2.41, 5.08 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1751,1752,
igr2=1842,1843,1844,
&end
#
# 110 GLU HG- 113 ALA MB 2.80 (# 1871:20 Unique 1.93, 3.55 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1784,1785,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:1872 113 ALA MB 3.50 (# 1872:20 Single Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1732,1733,1732,1733,1799,1800,
igr2=1842,1843,1844,
&end
#
# 0 AMB 20-2:1873 113 ALA MB 2.80 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
igr2=1842,1843,1844,
&end
#
# 31 TYR HE 31 TYR HA 5.50 (# 1875:20 Unique 4.60, 5.39 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 504, 509,
&end
#
# 0 AMB 20-2:1877 82 SER HA 4.50 (# 1877:20 Single Ambig)
&rst
ixpk= 1877, nxpk= 20, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1062,1338,
&end
#
# 82 SER HB- 82 SER HA 4.50 (# 1878:20 Unique 2.26, 2.71 A)
&rst
ixpk= 1878, nxpk= 20, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1331,1332,
&end
#
# 0 AMB 20-2:1881 144 HIS HA 2.80 (# 1881:20 Single Ambig)
&rst
ixpk= 1881, nxpk= 20, iat= -1,2300, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2302,2303,2302,2303,
&end
#
# 105 LEU HN 104 MET HA 4.50 (# 1882:20 Unique 3.52, 3.61 A)
&rst
ixpk= 1882, nxpk= 20, iat=1682,1667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 MET HG- 104 MET HA 3.50 (# 1883:20 Unique 2.19, 3.48 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1672,1673,
&end
#
# 104 MET HN 104 MET HA 4.50 (# 1884:20 Unique 2.70, 2.80 A)
&rst
ixpk= 1884, nxpk= 20, iat=1665,1667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 LEU HN 94 LEU HA 4.50 (# 1885:20 Unique 2.67, 2.72 A)
&rst
ixpk= 1885, nxpk= 20, iat=1512,1514, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 LEU HB+ 94 LEU HA 3.50 (# 1886:20 Unique 2.27, 2.65 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1516,1517,
&end
#
# 0 AMB 20-2:1887 94 LEU HA 2.80 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1516,1517,1560,1561,
&end
#
# 0 AMB 20-2:1888 94 LEU HA 2.80 (# 1888:20 Single Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1291,1292,1293,1295,1296,1297,1502,1503,1504,1506,
1507,1508,
&end
#
# 0 AMB 20-2:1889 94 LEU HA 2.80 (# 1889:20 Single Ambig)
&rst
ixpk= 1889, nxpk= 20, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1565,1566,1567,1569,1570,1571,1565,1566,1567,1569,
1570,1571,1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:1890 3 ALA MB 4.50 (# 1890:20 Single Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 46, 65,
igr2= 40, 41, 42,
&end
#
# 3 ALA HA 3 ALA MB 2.80 (# 1891:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1891, nxpk= 20, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 40, 41, 42,
&end
#
# 3 ALA HN 3 ALA MB 4.50 (# 1892:20 Unique 1.97, 3.16 A)
&rst
ixpk= 1892, nxpk= 20, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 40, 41, 42,
&end
#
# 0 AMB 20-2:1893 3 ALA MB 4.50 (# 1893:20 Single Ambig)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,
igr2= 40, 41, 42,
&end
#
# 0 AMB 20-2:1894 104 MET HA 4.50 (# 1894:20 Single Ambig)
&rst
ixpk= 1894, nxpk= 20, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1701,1648,
&end
#
# 0 AMB 20-2:1895 0 AMB 20-1:1895 2.80 (# 1895:20 Double Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1655,1656,1672,1673,
igr2=2234,1667,
&end
#
# 106 ARG HB- 104 MET HA 5.50 (# 1896:20 Unique 4.53, 5.62 A)
&rst
ixpk= 1896, nxpk= 20, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1705,1706,
&end
#
# 0 AMB 20-2:1897 140 GLN HA 2.80 (# 1897:20 Single Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1,2234, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1655,1656,2239,2240,
&end
#
# 0 AMB 20-2:1898 0 AMB 20-1:1898 2.80 (# 1898:20 Double Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1669,1670,1669,1670,2236,2237,1652,1653,1652,1653,
igr2=1667,2234,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 4.50 (# 1899:20 Double Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2225,2226,1676,1677,1678,1689,
igr2=2234,1667,
&end
#
# 143 VAL MGY 0 AMB 20-1:1900 4.50 (# 1900:20 Single Ambig)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2288,2289,2290,2292,2293,2294,
igr2=2234,1667,
&end
#
# 144 HIS HN 145 ARG HA 5.50 (# 1902:20 Unique 4.41, 5.09 A)
&rst
ixpk= 1902, nxpk= 20, iat=2298,2317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 ALA MB 145 ARG HA 7.00 (# 1905:20 Unique 4.50, 6.16 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2359,2360,2361,
&end
#
# 147 ALA MB 144 HIS HA 3.50 (# 1906:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1,2300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2359,2360,2361,
&end
#
# 143 VAL MGX 144 HIS HA 5.50 (# 1907:20 Unique 3.30, 5.14 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1,2300, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:1909 97 LEU HA 4.50 (# 1909:20 Single Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1556,1575,
&end
#
# 0 AMB 20-2:1910 97 LEU HA 5.50 (# 1910:20 Single Ambig)
&rst
ixpk= 1910, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2225,2226,1625,
&end
#
# 97 LEU HB- 97 LEU HA 3.50 (# 1911:20 Unique 2.20, 2.63 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 0 AMB 20-2:1912 97 LEU HA 5.50 (# 1912:20 Single Ambig)
&rst
ixpk= 1912, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1545,2012,2084,
&end
#
# 0 AMB 20-2:1913 97 LEU HA 4.50 (# 1913:20 Single Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1565,1566,1567,1569,1570,1571,2075,2076,
&end
#
# 146 VAL HN 144 HIS HA 4.50 (# 1914:20 Unique 3.70, 4.10 A)
&rst
ixpk= 1914, nxpk= 20, iat=2339,2300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 VAL HN 144 HIS HA 5.50 (# 1915:20 Unique 4.58, 5.03 A)
&rst
ixpk= 1915, nxpk= 20, iat=2282,2300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1916 9 SER HA 2.80 (# 1916:20 Single Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 136, 137, 136, 137,
&end
#
# 0 AMB 20-2:1917 121 LEU HA 4.50 (# 1917:20 Single Ambig)
&rst
ixpk= 1917, nxpk= 20, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2022,1973,
&end
#
# 121 LEU HN 121 LEU HA 3.50 (# 1918:20 Unique 2.81, 2.85 A)
&rst
ixpk= 1918, nxpk= 20, iat=1954,1956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1919 0 AMB 20-1:1919 2.80 (# 1919:20 Double Ambig)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1958,1959,1560,1561,
igr2=1956,1558,
&end
#
# 0 AMB 20-2:1920 121 LEU HA 2.80 (# 1920:20 Single Ambig)
&rst
ixpk= 1920, nxpk= 20, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=2016,2017,2018,1958,1959,
&end
#
# 121 LEU MDY 121 LEU HA 3.50 (# 1921:20 Unique 2.89, 4.51 A)
&rst
ixpk= 1921, nxpk= 20, iat= -1,1956, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 41 GLN HN 41 GLN HA 4.50 (# 1922:20 Unique 2.71, 2.81 A)
&rst
ixpk= 1922, nxpk= 20, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1924 41 GLN HA 5.50 (# 1924:20 Single Ambig)
&rst
ixpk= 1924, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 660, 659, 660,
&end
#
# 114 LEU HN 114 LEU HA 3.50 (# 1925:20 Unique 2.72, 2.79 A)
&rst
ixpk= 1925, nxpk= 20, iat=1848,1850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 PHE HN 76 TYR HA 4.50 (# 1927:20 Unique 2.19, 2.20 A)
&rst
ixpk= 1927, nxpk= 20, iat=1244,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 SER HA 76 TYR HA 5.50 (# 1928:20 Unique 1.76, 1.99 A)
&rst
ixpk= 1928, nxpk= 20, iat=1153,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 ASN HN 114 LEU HA 4.50 (# 1929:20 Unique 2.89, 3.19 A)
&rst
ixpk= 1929, nxpk= 20, iat=1901,1850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1930 114 LEU HA 2.80 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1855,1852,1853,
&end
#
# 146 VAL HN 147 ALA MB 5.50 (# 1931:20 Unique 3.87, 4.92 A)
&rst
ixpk= 1931, nxpk= 20, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2359,2360,2361,
&end
#
# 147 ALA HN 147 ALA MB 2.80 (# 1932:20 Unique 1.98, 3.07 A)
&rst
ixpk= 1932, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2359,2360,2361,
&end
#
# 144 HIS HA 147 ALA MB 3.50 (# 1933:20 Unique 2.00, 3.26 A)
&rst
ixpk= 1933, nxpk= 20, iat=2300, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2359,2360,2361,
&end
#
# 147 ALA HA 147 ALA MB 2.80 (# 1934:20 Unique 2.24, 2.66 A)
&rst
ixpk= 1934, nxpk= 20, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2359,2360,2361,
&end
#
# 0 AMB 20-2:1935 147 ALA MB 5.50 (# 1935:20 Single Ambig)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2341,1949,1950,
igr2=2359,2360,2361,
&end
#
# 0 AMB 20-2:1936 147 ALA MB 4.50 (# 1936:20 Single Ambig)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2394,2395,2394,2395,2302,2303,2302,2303,
igr2=2359,2360,2361,
&end
#
# 0 AMB 20-2:1937 147 ALA MB 3.50 (# 1937:20 Single Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1669,1670,1669,1670,2343,1652,1653,
igr2=2359,2360,2361,
&end
#
# 0 AMB 20-2:1938 147 ALA MB 2.80 (# 1938:20 Single Ambig)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2288,2289,2290,2292,2293,2294,2345,2346,2347,2349,
2350,2351,2345,2346,2347,2349,2350,2351,
igr2=2359,2360,2361,
&end
#
# 0 AMB 20-2:1939 14 LYS HA 4.50 (# 1939:20 Single Ambig)
&rst
ixpk= 1939, nxpk= 20, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 494, 245,
&end
#
# 0 AMB 20-2:1940 14 LYS HA 4.50 (# 1940:20 Single Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 226, 227, 226, 227, 498, 499,
&end
#
# 0 AMB 20-2:1941 14 LYS HA 5.50 (# 1941:20 Single Ambig)
&rst
ixpk= 1941, nxpk= 20, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 203, 204, 205, 207, 208, 209, 239, 240, 241,
&end
#
# 14 LYS HN 14 LYS HA 4.50 (# 1942:20 Unique 2.84, 2.92 A)
&rst
ixpk= 1942, nxpk= 20, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1943 14 LYS HA 4.50 (# 1943:20 Single Ambig)
&rst
ixpk= 1943, nxpk= 20, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 519, 520, 498, 499,
&end
#
# 14 LYS HB- 14 LYS HA 3.50 (# 1944:20 Unique 2.40, 2.83 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 217, 218,
&end
#
# 0 AMB 20-2:1945 14 LYS HA 2.80 (# 1945:20 Single Ambig)
&rst
ixpk= 1945, nxpk= 20, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 220, 221, 220, 221, 217, 218, 223, 224,
&end
#
# 91 MET HN 88 LEU HA 4.50 (# 1946:20 Unique 3.11, 3.46 A)
&rst
ixpk= 1946, nxpk= 20, iat=1469,1416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 MET HN 88 LEU HA 5.50 (# 1947:20 Unique 3.58, 3.61 A)
&rst
ixpk= 1947, nxpk= 20, iat=1433,1416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1948 114 LEU HA 2.80 (# 1948:20 Single Ambig)
&rst
ixpk= 1948, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1857,1858,1859,1861,1862,1863,1627,1628,1629,1631,
1632,1633,1767,1768,1769,1771,1772,1773,1691,1692,
1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:1949 0 AMB 20-1:1949 2.80 (# 1949:20 Double Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1867,1414,
igr2=1869,1416,
&end
#
# 0 AMB 20-2:1950 88 LEU HA 2.80 (# 1950:20 Single Ambig)
&rst
ixpk= 1950, nxpk= 20, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:1951 0 AMB 20-1:1951 2.80 (# 1951:20 Double Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1871,1872,1418,1419,
igr2=1869,1416,
&end
#
# 117 ASN HD2- 114 LEU HA 4.50 (# 1952:20 Unique 1.92, 3.19 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1910,1911,
&end
#
# 90 LEU HN 90 LEU HA 4.50 (# 1953:20 Unique 2.70, 2.76 A)
&rst
ixpk= 1953, nxpk= 20, iat=1450,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HN 57 SER HA 2.80 (# 1954:20 Unique 2.22, 2.35 A)
&rst
ixpk= 1954, nxpk= 20, iat= 939, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 SER HN 57 SER HA 4.50 (# 1955:20 Unique 2.17, 2.28 A)
&rst
ixpk= 1955, nxpk= 20, iat= 928, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 MET HG- 115 LEU HA 3.50 (# 1956:20 Unique 1.95, 2.31 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1922,1923,
&end
#
# 53 HIS HN 53 HIS HA 3.50 (# 1957:20 Unique 2.26, 2.75 A)
&rst
ixpk= 1957, nxpk= 20, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1958 0 AMB 20-1:1958 2.80 (# 1958:20 Double Ambig)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1291,1292,1293,1295,1296,1297,1622,1623,2288,2289,
2290,2292,2293,2294,1098,1099,1100,1102,1103,1104,
1098,1099,1100,1102,1103,1104,
igr2=1452,1620,
&end
#
# 104 MET HN 101 LEU HA 4.50 (# 1959:20 Unique 2.86, 3.47 A)
&rst
ixpk= 1959, nxpk= 20, iat=1665,1620, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1961 101 LEU HA 3.50 (# 1961:20 Single Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1676,1677,1678,1625,
&end
#
# 0 AMB 20-2:1962 137 SER HA 4.50 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2184,2185,2184,2185,
&end
#
# 128 ILE QG2 137 SER HA 5.50 (# 1963:20 Unique 2.40, 5.03 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2071,2072,2073,
&end
#
# 84 TYR HN 84 TYR HA 4.50 (# 1964:20 Unique 2.63, 2.84 A)
&rst
ixpk= 1964, nxpk= 20, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1965 84 TYR HA 2.80 (# 1965:20 Single Ambig)
&rst
ixpk= 1965, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1353,1354,1353,1354,
&end
#
# 15 ALA HA 30 TYR HA 4.50 (# 1966:20 Unique 2.38, 2.93 A)
&rst
ixpk= 1966, nxpk= 20, iat= 237, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HB+ 30 TYR HA 4.50 (# 1967:20 Unique 2.61, 2.87 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 477, 478,
&end
#
# 30 TYR HB- 30 TYR HA 5.50 (# 1968:20 Unique 2.61, 2.87 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 99 ASP HN 99 ASP HA 4.50 (# 1969:20 Unique 2.64, 2.81 A)
&rst
ixpk= 1969, nxpk= 20, iat=1595,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 SER HN 99 ASP HA 3.50 (# 1970:20 Unique 2.96, 3.27 A)
&rst
ixpk= 1970, nxpk= 20, iat=1637,1597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1971 99 ASP HA 3.50 (# 1971:20 Single Ambig)
&rst
ixpk= 1971, nxpk= 20, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1641,1642,1641,1642,
&end
#
# 99 ASP HB+ 99 ASP HA 4.50 (# 1972:20 Unique 2.46, 2.86 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1599,1600,
&end
#
# 124 ALA HN 123 LEU HA 4.50 (# 1973:20 Unique 3.53, 3.60 A)
&rst
ixpk= 1973, nxpk= 20, iat=2012,1995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 LEU HN 123 LEU HA 4.50 (# 1974:20 Unique 2.80, 2.88 A)
&rst
ixpk= 1974, nxpk= 20, iat=1993,1995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1975 123 LEU HA 3.50 (# 1975:20 Single Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2042,2043,2042,2043,
&end
#
# 0 AMB 20-2:1976 123 LEU HA 2.80 (# 1976:20 Single Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,
&end
#
# 116 GLU HN 115 LEU HA 4.50 (# 1977:20 Unique 3.35, 3.51 A)
&rst
ixpk= 1977, nxpk= 20, iat=1886,1869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1978 0 AMB 20-1:1978 3.50 (# 1978:20 Double Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1922,1923, 865, 866,
igr2=1869, 863,
&end
#
# 0 AMB 20-2:1979 0 AMB 20-1:1979 2.80 (# 1979:20 Double Ambig)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1423,1424,1425,1427,1428,1429,1423,1424,1425,1427,
1428,1429,1876,1877,1878,1880,1881,1882,1876,1877,
1878,1880,1881,1882, 411, 412, 413, 415, 416, 417,
igr2=1416,1869,
&end
#
# 0 AMB 20-2:1980 0 AMB 20-1:1980 2.80 (# 1980:20 Double Ambig)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1871,1872,1418,1419, 865, 866,2388,2389,2388,2389,
igr2=1869,1416, 863,2386,
&end
#
# 0 AMB 20-2:1981 43 ALA MB 5.50 (# 1981:20 Single Ambig)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 669, 721,
igr2= 695, 696, 697,
&end
#
# 46 LYS HN 43 ALA MB 5.50 (# 1982:20 Unique 4.72, 5.37 A)
&rst
ixpk= 1982, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 695, 696, 697,
&end
#
# 44 PHE HN 43 ALA MB 4.50 (# 1983:20 Unique 2.43, 3.44 A)
&rst
ixpk= 1983, nxpk= 20, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 695, 696, 697,
&end
#
# 43 ALA HN 43 ALA MB 3.50 (# 1984:20 Unique 2.88, 3.57 A)
&rst
ixpk= 1984, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 695, 696, 697,
&end
#
# 0 AMB 20-2:1985 43 ALA MB 5.50 (# 1985:20 Single Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 617, 671,
igr2= 695, 696, 697,
&end
#
# 0 AMB 20-2:1986 43 ALA MB 4.50 (# 1986:20 Single Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 628, 629, 628, 629, 705, 706, 749, 750,
igr2= 695, 696, 697,
&end
#
# 0 AMB 20-2:1987 43 ALA MB 5.50 (# 1987:20 Single Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 705, 706, 644, 645,
igr2= 695, 696, 697,
&end
#
# 0 AMB 20-2:1988 43 ALA MB 3.50 (# 1988:20 Single Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 557, 558, 641, 642, 644, 645,
igr2= 695, 696, 697,
&end
#
# 0 AMB 20-2:1989 43 ALA MB 3.50 (# 1989:20 Single Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 625, 626, 740, 741, 673, 674, 673, 674,
igr2= 695, 696, 697,
&end
#
# 129 VAL HN 128 ILE QG2 4.50 (# 1993:20 Unique 2.29, 3.94 A)
&rst
ixpk= 1993, nxpk= 20, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:1996 128 ILE QG2 2.80 (# 1996:20 Single Ambig)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2155,2156,2157,2078,2079,2080,2170,2171,2172,2174,
2175,2176,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:1997 134 ILE QG2 5.50 (# 1997:20 Single Ambig)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2165,2166, 255, 256,1519,1454,1455, 147, 148,
igr2=2148,2149,2150,
&end
#
# 84 TYR HD 84 TYR HA 5.50 (# 1999:20 Unique 3.37, 4.19 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1357,1366,
&end
#
# 73 ILE HN 72 SER HA 2.80 (# 2000:20 Unique 2.23, 2.37 A)
&rst
ixpk= 2000, nxpk= 20, iat=1173,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 SER HN 72 SER HA 4.50 (# 2001:20 Unique 2.80, 2.89 A)
&rst
ixpk= 2001, nxpk= 20, iat=1162,1164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2002 30 TYR HA 2.80 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 494, 245, 473,
&end
#
# 72 SER HB+ 72 SER HA 3.50 (# 2003:20 Unique 2.32, 2.74 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1166,1167,
&end
#
# 15 ALA MB 30 TYR HA 2.80 (# 2004:20 Unique 1.98, 2.77 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 239, 240, 241,
&end
#
# 28 ALA HN 27 PHE HA 4.50 (# 2005:20 Unique 2.24, 2.85 A)
&rst
ixpk= 2005, nxpk= 20, iat= 441, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 PHE HD 27 PHE HA 2.80 (# 2006:20 Unique 2.06, 3.53 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 429, 437,
&end
#
# 27 PHE HB- 27 PHE HA 4.50 (# 2007:20 Unique 2.46, 2.81 A)
&rst
ixpk= 2007, nxpk= 20, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 0 AMB 20-2:2008 0 AMB 20-1:2008 4.50 (# 2008:20 Double Ambig)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
igr1= 461, 462,1183,1184, 287, 293, 294, 385, 386, 220,
221, 656, 657,1311,1312,1133,1134,
igr2= 475,1164, 423,
&end
#
# 0 AMB 20-2:2009 0 AMB 20-1:2009 4.50 (# 2009:20 Double Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 445, 446, 447, 258, 259, 260,
igr2= 423, 475,
&end
#
# 0 AMB 20-2:2010 0 AMB 20-1:2010 4.50 (# 2010:20 Double Ambig)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 273, 274, 275, 277, 278, 279,1963,1964,1965,1967,
1968,1969,1213,1214,1215,1217,1218,1219, 296, 297,
298,
igr2= 475, 423,1164,
&end
#
# 0 AMB 20-2:2011 89 MET HA 3.50 (# 2011:20 Single Ambig)
&rst
ixpk= 2011, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1433,1496,
&end
#
# 0 AMB 20-2:2012 89 MET HA 2.80 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1490,1491,1492,2152,2153,
&end
#
# 91 MET HN 91 MET HA 4.50 (# 2013:20 Unique 2.81, 2.87 A)
&rst
ixpk= 2013, nxpk= 20, iat=1469,1471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2014 91 MET HA 3.50 (# 2014:20 Single Ambig)
&rst
ixpk= 2014, nxpk= 20, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1476,1477,1476,1477,
&end
#
# 94 LEU MDX 91 MET HA 4.50 (# 2015:20 Unique 1.98, 5.29 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 141 GLN HG+ 141 GLN HA 4.50 (# 2016:20 Unique 1.98, 3.02 A)
&rst
ixpk= 2016, nxpk= 20, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2256,2257,
&end
#
# 0 AMB 20-2:2017 0 AMB 20-1:2017 2.80 (# 2017:20 Double Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1516,1517,2253,2254,2253,2254,1473,1474,1473,1474,
igr2=1471,2251,
&end
#
# 149 ARG HN 149 ARG HA 2.80 (# 2018:20 Unique 2.18, 2.71 A)
&rst
ixpk= 2018, nxpk= 20, iat=2384,2386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2019 149 ARG HA 3.50 (# 2019:20 Single Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:2020 0 AMB 20-1:2020 2.80 (# 2020:20 Double Ambig)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=2391,2392,2391,2392, 309, 382, 383,
igr2=2386, 380,
&end
#
# 26 LEU HN 25 ARG HA 3.50 (# 2021:20 Unique 2.24, 2.34 A)
&rst
ixpk= 2021, nxpk= 20, iat= 402, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 LEU HA 25 ARG HA 4.50 (# 2022:20 Unique 2.00, 2.42 A)
&rst
ixpk= 2022, nxpk= 20, iat= 304, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2023 25 ARG HA 2.80 (# 2023:20 Single Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 106 ARG HN 106 ARG HA 2.80 (# 2024:20 Unique 2.16, 2.21 A)
&rst
ixpk= 2024, nxpk= 20, iat=1701,1703, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2025 106 ARG HA 4.50 (# 2025:20 Single Ambig)
&rst
ixpk= 2025, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1711,1712,1711,1712,
&end
#
# 106 ARG HB+ 106 ARG HA 2.80 (# 2026:20 Unique 2.39, 2.79 A)
&rst
ixpk= 2026, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1705,1706,
&end
#
# 106 ARG HB- 106 ARG HA 2.80 (# 2027:20 Unique 2.39, 2.79 A)
&rst
ixpk= 2027, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1705,1706,
&end
#
# 0 AMB 20-2:2028 128 ILE QG2 5.50 (# 2028:20 Single Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2152,2153,2152,2153,
igr2=2071,2072,2073,
&end
#
# 18 ILE HN 18 ILE QG2 5.50 (# 2029:20 Unique 4.25, 4.62 A)
&rst
ixpk= 2029, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 289, 290, 291,
&end
#
# 76 TYR HN 18 ILE QG2 4.50 (# 2030:20 Unique 3.41, 5.12 A)
&rst
ixpk= 2030, nxpk= 20, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:2031 18 ILE QG2 4.50 (# 2031:20 Single Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 402,1244,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:2032 18 ILE QG2 4.50 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 421,1867,
igr2= 289, 290, 291,
&end
#
# 77 PHE HD 18 ILE QG2 3.50 (# 2033:20 Unique 1.98, 4.92 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1252,1260,
igr2= 289, 290, 291,
&end
#
# 77 PHE HE 18 ILE QG2 4.50 (# 2034:20 Unique 2.33, 4.86 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1254,1258,
igr2= 289, 290, 291,
&end
#
# 19 LEU HA 18 ILE QG2 5.50 (# 2035:20 Unique 3.96, 5.21 A)
&rst
ixpk= 2035, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 289, 290, 291,
&end
#
# 27 PHE HB- 18 ILE QG2 5.50 (# 2036:20 Unique 3.31, 4.59 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 425, 426,
igr2= 289, 290, 291,
&end
#
# 75 LEU HB+ 18 ILE QG2 5.50 (# 2037:20 Unique 3.89, 5.49 A)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1208,1209,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:2038 18 ILE QG2 2.80 (# 2038:20 Single Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 293, 294, 287,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:2039 18 ILE QG2 2.80 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 406, 407, 406, 407,1852,1853,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:2040 18 ILE QG2 2.80 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417, 411, 412, 413, 415, 416, 417,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:2041 18 ILE QG2 2.80 (# 2041:20 Single Ambig)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 296, 297, 298,
igr2= 289, 290, 291,
&end
#
# 49 PHE HN 48 ILE QG2 3.50 (# 2042:20 Unique 2.21, 3.89 A)
&rst
ixpk= 2042, nxpk= 20, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2043 48 ILE QG2 4.50 (# 2043:20 Single Ambig)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 825, 758, 767, 768,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2044 48 ILE QG2 5.50 (# 2044:20 Single Ambig)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 709, 717, 847,
igr2= 778, 779, 780,
&end
#
# 78 TYR HD 48 ILE QG2 4.50 (# 2045:20 Unique 1.99, 3.96 A)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1272,1281,
igr2= 778, 779, 780,
&end
#
# 78 TYR HE 48 ILE QG2 4.50 (# 2046:20 Unique 1.98, 3.92 A)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1274,1279,
igr2= 778, 779, 780,
&end
#
# 48 ILE HA 48 ILE QG2 4.50 (# 2047:20 Unique 2.52, 3.37 A)
&rst
ixpk= 2047, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 778, 779, 780,
&end
#
# 45 GLU HA 48 ILE QG2 4.50 (# 2048:20 Unique 2.21, 4.10 A)
&rst
ixpk= 2048, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2049 48 ILE QG2 3.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1268,1269, 795, 796, 795, 796,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2050 48 ILE QG2 4.50 (# 2050:20 Single Ambig)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1311,1312, 832, 833, 832, 833,1006,1007,1006,1007,
igr2= 778, 779, 780,
&end
#
# 48 ILE HB 48 ILE QG2 2.80 (# 2051:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2051, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2052 48 ILE QG2 2.80 (# 2052:20 Single Ambig)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2053 48 ILE QG2 2.80 (# 2053:20 Single Ambig)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 273, 274, 275, 277, 278, 279, 853, 854, 855, 311,
312, 313, 315, 316, 317, 311, 312, 313, 315, 316,
317,
igr2= 778, 779, 780,
&end
#
# 48 ILE HG1+ 48 ILE QG2 3.50 (# 2054:20 Unique 2.58, 3.65 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 782, 783,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:2056 0 AMB 20-1:2056 4.50 (# 2056:20 Double Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=1186,1187,1188,1139,1140,1136,1137,1857,1858,1859,
1861,1862,1863,
igr2=1164, 423,
&end
#
# 0 AMB 20-2:2057 0 AMB 20-1:2057 3.50 (# 2057:20 Double Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 425, 426, 464, 465,
igr2= 423, 475,
&end
#
# 88 LEU MDY 89 MET HA 5.50 (# 2059:20 Unique 2.06, 6.85 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1423,1424,1425,1427,1428,1429,
&end
#
# 99 ASP HB- 99 ASP HA 2.80 (# 2060:20 Unique 2.46, 2.86 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1599,1600,
&end
#
# 141 GLN HG- 141 GLN HA 3.50 (# 2061:20 Unique 1.98, 3.02 A)
&rst
ixpk= 2061, nxpk= 20, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2256,2257,
&end
#
# 0 AMB 20-2:2062 141 GLN HA 5.50 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2282,2232,
&end
#
# 0 AMB 20-2:2063 141 GLN HA 3.50 (# 2063:20 Single Ambig)
&rst
ixpk= 2063, nxpk= 20, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2266,2249,
&end
#
# 0 AMB 20-2:2064 141 GLN HA 3.50 (# 2064:20 Single Ambig)
&rst
ixpk= 2064, nxpk= 20, iat= -1,2251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2302,2303,2302,2303,
&end
#
# 63 GLU HN 63 GLU HA 2.80 (# 2065:20 Unique 2.17, 2.25 A)
&rst
ixpk= 2065, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 GLY HN 63 GLU HA 3.50 (# 2066:20 Unique 2.59, 2.75 A)
&rst
ixpk= 2066, nxpk= 20, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2067 63 GLU HA 2.80 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1028,1029,1025,1026, 28, 29, 28, 29,
&end
#
# 0 AMB 20-2:2068 63 GLU HA 2.80 (# 2068:20 Single Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1028,1029,1025,1026,
&end
#
# 91 MET HN 92 ALA MB 5.50 (# 2069:20 Unique 4.01, 5.09 A)
&rst
ixpk= 2069, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1490,1491,1492,
&end
#
# 92 ALA HN 92 ALA MB 2.80 (# 2070:20 Unique 2.49, 3.43 A)
&rst
ixpk= 2070, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1490,1491,1492,
&end
#
# 93 VAL HN 92 ALA MB 2.80 (# 2071:20 Unique 1.94, 3.12 A)
&rst
ixpk= 2071, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1490,1491,1492,
&end
#
# 0 AMB 20-2:2072 92 ALA MB 5.50 (# 2072:20 Single Ambig)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1540,1541,1450,2180,
igr2=1490,1491,1492,
&end
#
# 0 AMB 20-2:2073 92 ALA MB 2.80 (# 2073:20 Single Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1435,1488,
igr2=1490,1491,1492,
&end
#
# 0 AMB 20-2:2074 92 ALA MB 3.50 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2199,2200,1452,
igr2=1490,1491,1492,
&end
#
# 0 AMB 20-2:2075 92 ALA MB 4.50 (# 2075:20 Single Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2199,2200,1498,
igr2=1490,1491,1492,
&end
#
# 0 AMB 20-2:2076 92 ALA MB 4.50 (# 2076:20 Single Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1535,1536,1535,1536,
igr2=1490,1491,1492,
&end
#
# 0 AMB 20-2:2077 92 ALA MB 3.50 (# 2077:20 Single Ambig)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1502,1503,1504,1506,1507,1508,1291,1292,1293,1295,
1296,1297,
igr2=1490,1491,1492,
&end
#
# 134 ILE QD1 92 ALA MB 4.50 (# 2078:20 Unique 2.01, 4.84 A)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2155,2156,2157,
igr2=1490,1491,1492,
&end
#
# 7 GLU HN 5 ILE QG2 5.50 (# 2079:20 Unique 2.43, 4.28 A)
&rst
ixpk= 2079, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 71, 72, 73,
&end
#
# 5 ILE HA 5 ILE QG2 2.80 (# 2080:20 Unique 2.44, 3.21 A)
&rst
ixpk= 2080, nxpk= 20, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 71, 72, 73,
&end
#
# 5 ILE HG1+ 5 ILE QG2 2.80 (# 2081:20 Unique 2.00, 3.30 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 75, 76,
igr2= 71, 72, 73,
&end
#
# 0 AMB 20-2:2082 0 AMB 20-1:2082 2.80 (# 2082:20 Double Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1486,1901,1915,1618,
igr2=1435,1888,1597,
&end
#
# 116 GLU HN 116 GLU HA 2.80 (# 2083:20 Unique 2.77, 2.83 A)
&rst
ixpk= 2083, nxpk= 20, iat=1886,1888, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 GLU HG- 116 GLU HA 3.50 (# 2084:20 Unique 2.32, 3.21 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1893,1894,
&end
#
# 116 GLU HB+ 116 GLU HA 2.80 (# 2085:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2085, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1890,1891,
&end
#
# 89 MET HB+ 89 MET HA 2.80 (# 2086:20 Unique 2.36, 2.51 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1437,1438,
&end
#
# 118 MET HN 118 MET HA 3.50 (# 2088:20 Unique 2.66, 2.80 A)
&rst
ixpk= 2088, nxpk= 20, iat=1915,1917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2089 118 MET HA 3.50 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1954,1981,1989,
&end
#
# 118 MET HB- 118 MET HA 3.50 (# 2091:20 Unique 2.53, 2.85 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1919,1920,
&end
#
# 121 LEU HB- 118 MET HA 4.50 (# 2092:20 Unique 2.81, 4.03 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1958,1959,
&end
#
# 121 LEU MDX 118 MET HA 3.50 (# 2093:20 Unique 2.01, 4.47 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:2094 92 ALA MB 5.50 (# 2094:20 Single Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1500,1440,1441,
igr2=1490,1491,1492,
&end
#
# 73 ILE HN 73 ILE QG2 4.50 (# 2095:20 Unique 3.94, 4.67 A)
&rst
ixpk= 2095, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1179,1180,1181,
&end
#
# 74 ASP HN 73 ILE QG2 2.80 (# 2096:20 Unique 3.17, 3.96 A)
&rst
ixpk= 2096, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1179,1180,1181,
&end
#
# 108 ASN HD2- 73 ILE QG2 4.50 (# 2097:20 Unique 1.92, 3.91 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1756,1757,
igr2=1179,1180,1181,
&end
#
# 108 ASN HA 73 ILE QG2 7.00 (# 2098:20 Unique 2.14, 5.68 A)
&rst
ixpk= 2098, nxpk= 20, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1179,1180,1181,
&end
#
# 74 ASP HB+ 73 ILE QG2 5.50 (# 2099:20 Unique 3.08, 5.16 A)
&rst
ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1196,1197,
igr2=1179,1180,1181,
&end
#
# 73 ILE HB 73 ILE QG2 2.80 (# 2100:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2100, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1179,1180,1181,
&end
#
# 73 ILE HG1+ 73 ILE QG2 3.50 (# 2101:20 Unique 2.01, 3.23 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1183,1184,
igr2=1179,1180,1181,
&end
#
# 73 ILE HG1- 73 ILE QG2 2.80 (# 2102:20 Unique 2.01, 3.23 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1183,1184,
igr2=1179,1180,1181,
&end
#
# 6 LEU HN 5 ILE QG2 4.50 (# 2103:20 Unique 1.95, 4.34 A)
&rst
ixpk= 2103, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 71, 72, 73,
&end
#
# 0 AMB 20-2:2104 5 ILE QG2 4.50 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 128, 86,
igr2= 71, 72, 73,
&end
#
# 8 PRO HB- 5 ILE QG2 4.50 (# 2105:20 Unique 2.07, 4.72 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 125, 126,
igr2= 71, 72, 73,
&end
#
# 0 AMB 20-2:2106 5 ILE QG2 2.80 (# 2106:20 Single Ambig)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 125, 126, 69,
igr2= 71, 72, 73,
&end
#
# 5 ILE HG1- 5 ILE QG2 2.80 (# 2107:20 Unique 2.00, 3.30 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 75, 76,
igr2= 71, 72, 73,
&end
#
# 0 AMB 20-2:2109 0 AMB 20-1:2109 3.50 (# 2109:20 Double Ambig)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 825,2298,
igr2= 827,2251,
&end
#
# 0 AMB 20-2:2110 51 LYS HA 2.80 (# 2110:20 Single Ambig)
&rst
ixpk= 2110, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 829, 830, 882, 883,
&end
#
# 0 AMB 20-2:2111 51 LYS HA 2.80 (# 2111:20 Single Ambig)
&rst
ixpk= 2111, nxpk= 20, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 835, 836, 835, 836, 829, 830,
&end
#
# 110 GLU HB- 73 ILE QG2 2.80 (# 2113:20 Unique 1.93, 3.15 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1781,1782,
igr2=1179,1180,1181,
&end
#
# 124 ALA HN 124 ALA MB 2.80 (# 2114:20 Unique 2.07, 2.81 A)
&rst
ixpk= 2114, nxpk= 20, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2016,2017,2018,
&end
#
# 125 VAL HN 124 ALA MB 2.80 (# 2115:20 Unique 2.15, 3.28 A)
&rst
ixpk= 2115, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:2116 124 ALA MB 5.50 (# 2116:20 Single Ambig)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1993,1618,
igr2=2016,2017,2018,
&end
#
# 124 ALA HA 124 ALA MB 2.80 (# 2117:20 Unique 2.31, 2.66 A)
&rst
ixpk= 2117, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2016,2017,2018,
&end
#
# 125 VAL HA 124 ALA MB 4.50 (# 2118:20 Unique 3.87, 4.78 A)
&rst
ixpk= 2118, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:2119 124 ALA MB 3.50 (# 2119:20 Single Ambig)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1560,1561,2026,2057,2058,2054,2055,2054,2055,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:2120 124 ALA MB 2.80 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2288,2289,2290,2292,2293,2294,2075,2076,2075,2076,
1565,1566,1567,1569,1570,1571,2002,2003,2004,2006,
2007,2008,2002,2003,2004,2006,2007,2008,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:2121 124 ALA MB 2.80 (# 2121:20 Single Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2078,2079,2080,2272,2273,2274,2276,2277,2278,2272,
2273,2274,2276,2277,2278,1627,1628,1629,1631,1632,
1633,
igr2=2016,2017,2018,
&end
#
# 121 LEU MDY 124 ALA MB 4.50 (# 2122:20 Unique 3.76, 6.85 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1963,1964,1965,1967,1968,1969,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:2124 118 MET ME 5.50 (# 2124:20 Single Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1932, 391,
igr2=1926,1927,1928,
&end
#
# 27 PHE HN 118 MET ME 4.50 (# 2125:20 Unique 2.98, 4.96 A)
&rst
ixpk= 2125, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1926,1927,1928,
&end
#
# 0 AMB 20-2:2126 118 MET ME 3.50 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1915,1901,
igr2=1926,1927,1928,
&end
#
# 28 ALA HN 118 MET ME 5.50 (# 2127:20 Unique 4.81, 6.16 A)
&rst
ixpk= 2127, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1926,1927,1928,
&end
#
# 0 AMB 20-2:2128 118 MET ME 3.50 (# 2128:20 Single Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1983,1987,1981,1989,
igr2=1926,1927,1928,
&end
#
# 27 PHE HD 118 MET ME 3.50 (# 2129:20 Unique 2.13, 4.86 A)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 429, 437,
igr2=1926,1927,1928,
&end
#
# 27 PHE HA 118 MET ME 3.50 (# 2130:20 Unique 2.05, 4.01 A)
&rst
ixpk= 2130, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1926,1927,1928,
&end
#
# 118 MET HA 118 MET ME 3.50 (# 2131:20 Unique 2.41, 3.66 A)
&rst
ixpk= 2131, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1926,1927,1928,
&end
#
# 115 LEU HA 118 MET ME 3.50 (# 2132:20 Unique 2.80, 3.80 A)
&rst
ixpk= 2132, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1926,1927,1928,
&end
#
# 118 MET HG- 118 MET ME 2.80 (# 2133:20 Unique 1.99, 3.47 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1922,1923,
igr2=1926,1927,1928,
&end
#
# 118 MET HB- 118 MET ME 2.80 (# 2134:20 Unique 2.31, 4.40 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1919,1920,
igr2=1926,1927,1928,
&end
#
# 0 AMB 20-2:2135 118 MET ME 2.80 (# 2135:20 Single Ambig)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 406, 407, 406, 407,
igr2=1926,1927,1928,
&end
#
# 0 AMB 20-2:2136 118 MET ME 7.00 (# 2136:20 Single Ambig)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=2028,2029,2030,2032,2033,2034, 445, 446, 447, 258,
259, 260,
igr2=1926,1927,1928,
&end
#
# 0 AMB 20-2:2137 118 MET ME 2.80 (# 2137:20 Single Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1857,1858,1859,1861,1862,1863,1961, 411, 412, 413,
415, 416, 417,
igr2=1926,1927,1928,
&end
#
# 121 LEU MDX 118 MET ME 2.80 (# 2138:20 Unique 1.99, 4.87 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1963,1964,1965,1967,1968,1969,
igr2=1926,1927,1928,
&end
#
# 86 ASN HD2- 89 MET ME 4.50 (# 2139:20 Unique 1.94, 5.35 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1394,1395,
igr2=1444,1445,1446,
&end
#
# 89 MET HN 89 MET ME 4.50 (# 2140:20 Unique 2.68, 4.82 A)
&rst
ixpk= 2140, nxpk= 20, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1444,1445,1446,
&end
#
# 0 AMB 20-2:2142 89 MET ME 5.50 (# 2142:20 Single Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 145,1435,
igr2=1444,1445,1446,
&end
#
# 0 AMB 20-2:2143 89 MET ME 4.50 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 187,1331,1332,
igr2=1444,1445,1446,
&end
#
# 89 MET HG+ 89 MET ME 3.50 (# 2145:20 Unique 2.26, 3.68 A)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1440,1441,
igr2=1444,1445,1446,
&end
#
# 12 THR MG2 89 MET ME 4.50 (# 2147:20 Unique 1.99, 5.41 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 189, 190, 191,
igr2=1444,1445,1446,
&end
#
# 0 AMB 20-2:2148 0 AMB 20-1:2148 2.80 (# 2148:20 Double Ambig)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 152, 153, 154, 156, 157, 158,1521,1522,1523,1525,
1526,1527,2132,2133,2134,2136,2137,2138,
igr2=1444,1445,1446,1480,1481,1482,
&end
#
# 135 LEU HN 134 ILE QG2 4.50 (# 2149:20 Unique 4.01, 4.95 A)
&rst
ixpk= 2149, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2148,2149,2150,
&end
#
# 134 ILE HN 134 ILE QG2 4.50 (# 2150:20 Unique 2.08, 3.22 A)
&rst
ixpk= 2150, nxpk= 20, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:2151 134 ILE QG2 4.50 (# 2151:20 Single Ambig)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2126,2180,2119,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:2152 134 ILE QG2 4.50 (# 2152:20 Single Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2128, 199,2067,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:2153 134 ILE QG2 4.50 (# 2153:20 Single Ambig)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2199,2200,1498,
igr2=2148,2149,2150,
&end
#
# 93 VAL HB 134 ILE QG2 5.50 (# 2154:20 Unique 2.61, 4.52 A)
&rst
ixpk= 2154, nxpk= 20, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:2155 134 ILE QG2 3.50 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1437,1438,1444,1445,1446,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:2156 134 ILE QG2 2.80 (# 2156:20 Single Ambig)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2152,2153,2152,2153,2146,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:2157 134 ILE QG2 2.80 (# 2157:20 Single Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 203, 204, 205, 207, 208, 209,1502,1503,1504,1506,
1507,1508,
igr2=2148,2149,2150,
&end
#
# 54 ARG HN 51 LYS HA 5.50 (# 2159:20 Unique 3.29, 4.11 A)
&rst
ixpk= 2159, nxpk= 20, iat= 878, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2160 0 AMB 20-1:2160 2.80 (# 2160:20 Double Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 964, 965, 958,2152,2153,2152,2153, 201,
igr2=1480,1481,1482,1444,1445,1446,
&end
#
# 58 GLU HN 91 MET ME 5.50 (# 2161:20 Unique 4.36, 5.97 A)
&rst
ixpk= 2161, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1480,1481,1482,
&end
#
# 59 ILE HN 91 MET ME 5.50 (# 2162:20 Unique 4.03, 6.21 A)
&rst
ixpk= 2162, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1480,1481,1482,
&end
#
# 0 AMB 20-2:2167 16 ILE QG2 5.50 (# 2167:20 Single Ambig)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2026,1560,1561,1926,1927,1928,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:2168 26 LEU HA 4.50 (# 2168:20 Single Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1213,1214,1215,1217,1218,1219,1213,1214,
1215,1217,1218,1219,1211,
&end
#
# 86 ASN HN 85 GLU HA 3.50 (# 2170:20 Unique 2.38, 3.09 A)
&rst
ixpk= 2170, nxpk= 20, iat=1385,1372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 GLU HN 85 GLU HA 3.50 (# 2171:20 Unique 2.17, 2.63 A)
&rst
ixpk= 2171, nxpk= 20, iat=1370,1372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2172 0 AMB 20-1:2172 5.50 (# 2172:20 Double Ambig)
&rst
ixpk= 2172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1905,1906,1389,1390,1389,1390,
igr2=1917,1372,
&end
#
# 0 AMB 20-2:2173 85 GLU HA 3.50 (# 2173:20 Single Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1377,1378,1377,1378,
&end
#
# 0 AMB 20-2:2174 0 AMB 20-1:2174 2.80 (# 2174:20 Double Ambig)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1374,1375,1374,1375,1919,1920,
igr2=1372,1917,
&end
#
# 0 AMB 20-2:2175 127 GLU HA 3.50 (# 2175:20 Single Ambig)
&rst
ixpk= 2175, nxpk= 20, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2054,2055,2054,2055,
&end
#
# 50 ASN HN 50 ASN HA 3.50 (# 2176:20 Unique 2.62, 2.71 A)
&rst
ixpk= 2176, nxpk= 20, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 PHE HD 50 ASN HA 3.50 (# 2178:20 Unique 2.34, 5.00 A)
&rst
ixpk= 2178, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 799, 807,
&end
#
# 0 AMB 20-2:2179 0 AMB 20-1:2179 2.80 (# 2179:20 Double Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 888, 889, 888, 889, 815, 816, 838, 839,
igr2= 880, 813, 827,
&end
#
# 0 AMB 20-2:2180 50 ASN HA 2.80 (# 2180:20 Single Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 865, 866, 815, 816,
&end
#
# 55 THR HN 0 AMB 20-1:2181 4.50 (# 2181:20 Single Ambig)
&rst
ixpk= 2181, nxpk= 20, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 880, 827,
&end
#
# 0 AMB 20-2:2182 0 AMB 20-1:2182 3.50 (# 2182:20 Double Ambig)
&rst
ixpk= 2182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 885, 886, 885, 886,
igr2= 880, 827,
&end
#
# 30 TYR HN 29 LYS HA 2.80 (# 2183:20 Unique 2.18, 2.28 A)
&rst
ixpk= 2183, nxpk= 20, iat= 473, 453, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 LYS HB+ 29 LYS HA 3.50 (# 2184:20 Unique 2.32, 2.77 A)
&rst
ixpk= 2184, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 455, 456,
&end
#
# 94 LEU HG 91 MET ME 4.50 (# 2186:20 Unique 2.10, 5.35 A)
&rst
ixpk= 2186, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1480,1481,1482,
&end
#
# 0 AMB 20-2:2187 91 MET ME 4.50 (# 2187:20 Single Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1469,1108,
igr2=1480,1481,1482,
&end
#
# 92 ALA HN 91 MET ME 5.50 (# 2188:20 Unique 3.98, 5.89 A)
&rst
ixpk= 2188, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1480,1481,1482,
&end
#
# 95 ASN HD2+ 91 MET ME 4.50 (# 2189:20 Unique 2.62, 4.68 A)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1540,1541,
igr2=1480,1481,1482,
&end
#
# 95 ASN HD2- 91 MET ME 4.50 (# 2190:20 Unique 2.62, 4.68 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1540,1541,
igr2=1480,1481,1482,
&end
#
# 68 VAL HA 91 MET ME 5.50 (# 2191:20 Unique 4.05, 5.43 A)
&rst
ixpk= 2191, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1480,1481,1482,
&end
#
# 91 MET HA 91 MET ME 3.50 (# 2192:20 Unique 1.99, 3.64 A)
&rst
ixpk= 2192, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1480,1481,1482,
&end
#
# 0 AMB 20-2:2193 91 MET ME 7.00 (# 2193:20 Single Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1416,1322,1323,
igr2=1480,1481,1482,
&end
#
# 58 GLU HA 91 MET ME 4.50 (# 2194:20 Unique 2.86, 4.31 A)
&rst
ixpk= 2194, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1480,1481,1482,
&end
#
# 0 AMB 20-2:2195 91 MET ME 2.80 (# 2195:20 Single Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1476,1477,1476,1477,
igr2=1480,1481,1482,
&end
#
# 68 VAL HB 91 MET ME 4.50 (# 2196:20 Unique 2.22, 4.36 A)
&rst
ixpk= 2196, nxpk= 20, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1480,1481,1482,
&end
#
# 0 AMB 20-2:2197 91 MET ME 2.80 (# 2197:20 Single Ambig)
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
igr2=1480,1481,1482,
&end
#
# 67 VAL HN 59 ILE QG2 5.50 (# 2200:20 Unique 3.37, 5.49 A)
&rst
ixpk= 2200, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2202 59 ILE QG2 5.50 (# 2202:20 Single Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 932, 933, 932, 933,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2203 59 ILE QG2 2.80 (# 2203:20 Single Ambig)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 946, 947,1403,1404,1403,1404,
igr2= 960, 961, 962,
&end
#
# 26 LEU HN 26 LEU HA 4.50 (# 2204:20 Unique 2.74, 2.80 A)
&rst
ixpk= 2204, nxpk= 20, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HG 26 LEU HA 3.50 (# 2205:20 Unique 2.33, 2.79 A)
&rst
ixpk= 2205, nxpk= 20, iat= 409, 404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2206 26 LEU HA 2.80 (# 2206:20 Single Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,
&end
#
# 27 PHE HN 26 LEU HA 4.50 (# 2207:20 Unique 3.59, 3.63 A)
&rst
ixpk= 2207, nxpk= 20, iat= 421, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2208 26 LEU HA 2.80 (# 2208:20 Single Ambig)
&rst
ixpk= 2208, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 406, 407, 406, 407,
&end
#
# 48 ILE HN 47 ASN HA 4.50 (# 2209:20 Unique 2.79, 3.32 A)
&rst
ixpk= 2209, nxpk= 20, iat= 772, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2210 47 ASN HA 2.80 (# 2210:20 Single Ambig)
&rst
ixpk= 2210, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 758, 767, 768,
&end
#
# 0 AMB 20-2:2211 47 ASN HA 2.80 (# 2211:20 Single Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 815, 816, 762, 763, 762, 763,
&end
#
# 0 AMB 20-2:2212 47 ASN HA 5.50 (# 2212:20 Single Ambig)
&rst
ixpk= 2212, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 832, 833, 832, 833, 743, 744,
&end
#
# 17 LEU HN 16 ILE QG2 3.50 (# 2213:20 Unique 2.08, 3.36 A)
&rst
ixpk= 2213, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 251, 252, 253,
&end
#
# 27 PHE HE 16 ILE QG2 4.50 (# 2214:20 Unique 2.00, 5.35 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 431, 435,
igr2= 251, 252, 253,
&end
#
# 27 PHE HD 16 ILE QG2 2.80 (# 2215:20 Unique 1.99, 5.27 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 429, 437,
igr2= 251, 252, 253,
&end
#
# 16 ILE HG1- 16 ILE QG2 2.80 (# 2216:20 Unique 2.16, 3.45 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 255, 256,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:2217 16 ILE QG2 2.80 (# 2217:20 Single Ambig)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 249, 461, 462,
igr2= 251, 252, 253,
&end
#
# 16 ILE HG1+ 16 ILE QG2 2.80 (# 2218:20 Unique 2.16, 3.45 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 255, 256,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:2219 16 ILE QG2 2.80 (# 2219:20 Single Ambig)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 293, 294,2028,2029,2030,2032,2033,2034,
igr2= 251, 252, 253,
&end
#
# 60 ALA HN 59 ILE QG2 3.50 (# 2220:20 Unique 1.92, 3.22 A)
&rst
ixpk= 2220, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 960, 961, 962,
&end
#
# 58 GLU HN 59 ILE QG2 7.00 (# 2221:20 Unique 4.80, 6.28 A)
&rst
ixpk= 2221, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 960, 961, 962,
&end
#
# 59 ILE HN 59 ILE QG2 3.50 (# 2222:20 Unique 2.70, 4.13 A)
&rst
ixpk= 2222, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2223 59 ILE QG2 3.50 (# 2223:20 Single Ambig)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 956, 985,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2224 59 ILE QG2 5.50 (# 2224:20 Single Ambig)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1064, 930,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2225 59 ILE QG2 3.50 (# 2225:20 Single Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1406,1407,1406,1407,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2226 59 ILE QG2 4.50 (# 2226:20 Single Ambig)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 943, 944, 865, 866,
igr2= 960, 961, 962,
&end
#
# 59 ILE HB 59 ILE QG2 2.80 (# 2227:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2227, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2228 59 ILE QG2 4.50 (# 2228:20 Single Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 977, 978, 979,1454,1455,
igr2= 960, 961, 962,
&end
#
# 0 AMB 20-2:2229 0 AMB 20-1:2229 3.50 (# 2229:20 Double Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1686,1687, 455, 456,
igr2=1684, 453,
&end
#
# 16 ILE HA 16 ILE QG2 2.80 (# 2230:20 Unique 2.57, 3.34 A)
&rst
ixpk= 2230, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:2231 95 ASN HA 5.50 (# 2231:20 Single Ambig)
&rst
ixpk= 2231, nxpk= 20, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1575,1556,
&end
#
# 98 PHE HB+ 95 ASN HA 4.50 (# 2232:20 Unique 2.18, 3.15 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1579,1580,
&end
#
# 0 AMB 20-2:2233 95 ASN HA 2.80 (# 2233:20 Single Ambig)
&rst
ixpk= 2233, nxpk= 20, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1535,1536,1535,1536,
&end
#
# 137 SER HN 136 GLU HA 2.80 (# 2234:20 Unique 2.21, 2.40 A)
&rst
ixpk= 2234, nxpk= 20, iat=2195,2182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 106 ARG HN 105 LEU HA 4.50 (# 2235:20 Unique 2.93, 3.47 A)
&rst
ixpk= 2235, nxpk= 20, iat=1701,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2236 105 LEU HA 4.50 (# 2236:20 Single Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1669,1670,1669,1670,1729,1730,1890,1891,
&end
#
# 105 LEU HG 105 LEU HA 3.50 (# 2237:20 Unique 2.34, 3.53 A)
&rst
ixpk= 2237, nxpk= 20, iat=1689,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2238 0 AMB 20-1:2238 2.80 (# 2238:20 Double Ambig)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697, 458, 459, 458, 459,
igr2=1684, 453,
&end
#
# 0 AMB 20-2:2239 0 AMB 20-1:2239 3.50 (# 2239:20 Double Ambig)
&rst
ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 461, 462,1686,1687,
igr2= 453,1684,
&end
#
# 98 PHE HB- 95 ASN HA 4.50 (# 2240:20 Unique 2.18, 3.15 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1579,1580,
&end
#
# 0 AMB 20-2:2241 0 AMB 20-1:2241 3.50 (# 2241:20 Double Ambig)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 25, 26,2184,2185,2184,2185,
igr2= 23,2182,
&end
#
# 107 LYS HN 107 LYS HA 2.80 (# 2242:20 Unique 2.24, 2.78 A)
&rst
ixpk= 2242, nxpk= 20, iat=1725,1727, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 LYS HB- 107 LYS HA 2.80 (# 2243:20 Unique 2.28, 2.81 A)
&rst
ixpk= 2243, nxpk= 20, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1729,1730,
&end
#
# 0 AMB 20-2:2244 107 LYS HA 4.50 (# 2244:20 Single Ambig)
&rst
ixpk= 2244, nxpk= 20, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1732,1733,1732,1733,
&end
#
# 124 ALA HN 124 ALA HA 4.50 (# 2245:20 Unique 2.67, 2.76 A)
&rst
ixpk= 2245, nxpk= 20, iat=2012,2014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2248 124 ALA HA 4.50 (# 2248:20 Single Ambig)
&rst
ixpk= 2248, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2057,2058,2054,2055,2054,2055,
&end
#
# 124 ALA MB 124 ALA HA 2.80 (# 2249:20 Unique 2.31, 2.66 A)
&rst
ixpk= 2249, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2016,2017,2018,
&end
#
# 0 AMB 20-2:2250 124 ALA HA 4.50 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,2288,2289,2290,2292,2293,2294,2075,2076,
&end
#
# 105 LEU HB+ 104 MET ME 5.50 (# 2251:20 Unique 2.90, 6.26 A)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1686,1687,
igr2=1676,1677,1678,
&end
#
# 104 MET HN 104 MET ME 4.50 (# 2252:20 Unique 3.62, 5.03 A)
&rst
ixpk= 2252, nxpk= 20, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2253 104 MET ME 5.50 (# 2253:20 Single Ambig)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1947,1648,1701,
igr2=1676,1677,1678,
&end
#
# 121 LEU HN 104 MET ME 4.50 (# 2254:20 Unique 3.18, 4.46 A)
&rst
ixpk= 2254, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1676,1677,1678,
&end
#
# 101 LEU HA 104 MET ME 2.80 (# 2256:20 Unique 1.99, 3.29 A)
&rst
ixpk= 2256, nxpk= 20, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2257 104 MET ME 2.80 (# 2257:20 Single Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1949,1950,1949,1950,
igr2=1676,1677,1678,
&end
#
# 117 ASN HB+ 104 MET ME 4.50 (# 2259:20 Unique 2.19, 4.94 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1905,1906,
igr2=1676,1677,1678,
&end
#
# 104 MET HG- 104 MET ME 3.50 (# 2260:20 Unique 1.99, 3.36 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1672,1673,
igr2=1676,1677,1678,
&end
#
# 104 MET HG+ 104 MET ME 3.50 (# 2261:20 Unique 1.99, 3.36 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1672,1673,
igr2=1676,1677,1678,
&end
#
# 117 ASN HB- 104 MET ME 4.50 (# 2262:20 Unique 2.19, 4.94 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1905,1906,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2263 104 MET ME 3.50 (# 2263:20 Single Ambig)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1669,1670,1669,1670,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2264 104 MET ME 4.50 (# 2264:20 Single Ambig)
&rst
ixpk= 2264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1686,1687,1997,1998,
igr2=1676,1677,1678,
&end
#
# 124 ALA MB 104 MET ME 2.80 (# 2265:20 Unique 1.99, 4.01 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2016,2017,2018,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2266 104 MET ME 2.80 (# 2266:20 Single Ambig)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2288,2289,2290,2292,2293,2294,2002,2003,2004,2006,
2007,2008,2002,2003,2004,2006,2007,2008,
igr2=1676,1677,1678,
&end
#
# 121 LEU MDY 104 MET ME 4.50 (# 2267:20 Unique 5.23, 7.44 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1963,1964,1965,1967,1968,1969,
igr2=1676,1677,1678,
&end
#
# 135 LEU HB- 135 LEU HA 3.50 (# 2268:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2268, nxpk= 20, iat= -1,2163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2165,2166,
&end
#
# 0 AMB 20-2:2270 92 ALA HA 3.50 (# 2270:20 Single Ambig)
&rst
ixpk= 2270, nxpk= 20, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1535,1536,1535,1536,
&end
#
# 21 ASN HN 21 ASN HA 4.50 (# 2271:20 Unique 2.74, 2.86 A)
&rst
ixpk= 2271, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 TYR HD 21 ASN HA 3.50 (# 2272:20 Unique 2.08, 4.32 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1231,1240,
&end
#
# 49 PHE HE 21 ASN HA 3.50 (# 2273:20 Unique 2.00, 4.32 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 801, 805,
&end
#
# 21 ASN HB+ 21 ASN HA 3.50 (# 2274:20 Unique 2.35, 2.60 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 337, 338,
&end
#
# 0 AMB 20-2:2275 21 ASN HA 3.50 (# 2275:20 Single Ambig)
&rst
ixpk= 2275, nxpk= 20, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 337, 338,1227,1228,
&end
#
# 0 AMB 20-2:2278 0 AMB 20-1:2278 3.50 (# 2278:20 Double Ambig)
&rst
ixpk= 2278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 152, 153, 154, 156, 157, 158, 55, 56, 57, 59,
60, 61, 78, 79, 80,
igr2= 145, 48,
&end
#
# 46 LYS HN 43 ALA HA 4.50 (# 2279:20 Unique 3.21, 3.47 A)
&rst
ixpk= 2279, nxpk= 20, iat= 736, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2280 43 ALA HA 4.50 (# 2280:20 Single Ambig)
&rst
ixpk= 2280, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 746, 747, 746, 747,
&end
#
# 0 AMB 20-2:2281 43 ALA HA 4.50 (# 2281:20 Single Ambig)
&rst
ixpk= 2281, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 701, 767, 768, 758,
&end
#
# 43 ALA HN 43 ALA HA 3.50 (# 2282:20 Unique 2.69, 2.79 A)
&rst
ixpk= 2282, nxpk= 20, iat= 691, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2283 43 ALA HA 3.50 (# 2283:20 Single Ambig)
&rst
ixpk= 2283, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 740, 741, 740, 741,
&end
#
# 0 AMB 20-2:2284 43 ALA HA 2.80 (# 2284:20 Single Ambig)
&rst
ixpk= 2284, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 743, 744, 743, 744, 695, 696, 697,
&end
#
# 0 AMB 20-2:2285 18 ILE QD1 4.50 (# 2285:20 Single Ambig)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1=1852,1853, 268, 269, 406, 407, 406, 407, 271,1560,
1561,
igr2= 296, 297, 298,
&end
#
# 18 ILE HN 18 ILE QD1 5.50 (# 2286:20 Unique 2.82, 4.27 A)
&rst
ixpk= 2286, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 77 PHE HD 18 ILE QD1 2.80 (# 2287:20 Unique 2.09, 5.02 A)
&rst
ixpk= 2287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1252,1260,
igr2= 296, 297, 298,
&end
#
# 0 AMB 20-2:2288 18 ILE QD1 3.50 (# 2288:20 Single Ambig)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 429, 437,1254,1258,
igr2= 296, 297, 298,
&end
#
# 27 PHE HB+ 18 ILE QD1 4.50 (# 2289:20 Unique 1.98, 4.37 A)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 425, 426,
igr2= 296, 297, 298,
&end
#
# 27 PHE HB- 18 ILE QD1 4.50 (# 2290:20 Unique 1.98, 4.37 A)
&rst
ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 425, 426,
igr2= 296, 297, 298,
&end
#
# 0 AMB 20-2:2291 18 ILE QD1 2.80 (# 2291:20 Single Ambig)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 287, 293, 294,
igr2= 296, 297, 298,
&end
#
# 18 ILE QG2 18 ILE QD1 2.80 (# 2292:20 Unique 2.01, 3.85 A)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 289, 290, 291,
igr2= 296, 297, 298,
&end
#
# 18 ILE HA 18 ILE QD1 5.50 (# 2296:20 Unique 1.97, 3.99 A)
&rst
ixpk= 2296, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 0 AMB 20-2:2297 18 ILE QD1 5.50 (# 2297:20 Single Ambig)
&rst
ixpk= 2297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1926,1927,1928,1958,1959,1560,1561,2026,
igr2= 296, 297, 298,
&end
#
# 27 PHE HN 18 ILE QD1 5.50 (# 2298:20 Unique 4.10, 5.75 A)
&rst
ixpk= 2298, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 0 AMB 20-2:2301 0 AMB 20-1:2301 3.50 (# 2301:20 Double Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 93, 94, 95, 97, 98, 99, 93, 94, 95, 97,
98, 99,1521,1522,1523,1525,1526,1527,
igr2= 86,1131,
&end
#
# 7 GLU HN 6 LEU HA 3.50 (# 2302:20 Unique 2.38, 3.25 A)
&rst
ixpk= 2302, nxpk= 20, iat= 103, 86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2303 6 LEU HA 2.80 (# 2303:20 Single Ambig)
&rst
ixpk= 2303, nxpk= 20, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 88, 89, 88, 89,
&end
#
# 35 TYR HN 35 TYR HA 4.50 (# 2304:20 Unique 2.86, 2.89 A)
&rst
ixpk= 2304, nxpk= 20, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR HD 35 TYR HA 4.50 (# 2305:20 Unique 2.25, 3.74 A)
&rst
ixpk= 2305, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 561, 570,
&end
#
# 0 AMB 20-2:2306 35 TYR HA 4.50 (# 2306:20 Single Ambig)
&rst
ixpk= 2306, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 641, 642, 557, 558,
&end
#
# 7 GLU HN 7 GLU HA 3.50 (# 2308:20 Unique 2.18, 2.64 A)
&rst
ixpk= 2308, nxpk= 20, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2309 7 GLU HA 3.50 (# 2309:20 Single Ambig)
&rst
ixpk= 2309, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 110, 111, 110, 111,
&end
#
# 7 GLU HB- 7 GLU HA 2.80 (# 2310:20 Unique 2.43, 2.81 A)
&rst
ixpk= 2310, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 107, 108,
&end
#
# 7 GLU HB+ 7 GLU HA 2.80 (# 2311:20 Unique 2.43, 2.81 A)
&rst
ixpk= 2311, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 107, 108,
&end
#
# 81 GLY HN 80 ILE QD1 5.50 (# 2312:20 Unique 4.38, 5.97 A)
&rst
ixpk= 2312, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1314,1315,1316,
&end
#
# 79 VAL HN 80 ILE QD1 4.50 (# 2313:20 Unique 3.17, 5.08 A)
&rst
ixpk= 2313, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1314,1315,1316,
&end
#
# 0 AMB 20-2:2314 80 ILE QD1 4.50 (# 2314:20 Single Ambig)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 264,1092,
igr2=1314,1315,1316,
&end
#
# 80 ILE HN 80 ILE QD1 4.50 (# 2315:20 Unique 1.93, 3.09 A)
&rst
ixpk= 2315, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1314,1315,1316,
&end
#
# 15 ALA HN 80 ILE QD1 5.50 (# 2316:20 Unique 2.90, 4.74 A)
&rst
ixpk= 2316, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1314,1315,1316,
&end
#
# 44 PHE HD 80 ILE QD1 4.50 (# 2317:20 Unique 3.77, 6.76 A)
&rst
ixpk= 2317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 709, 717,
igr2=1314,1315,1316,
&end
#
# 44 PHE HE 80 ILE QD1 2.80 (# 2318:20 Unique 2.00, 5.21 A)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 711, 715,
igr2=1314,1315,1316,
&end
#
# 80 ILE HA 80 ILE QD1 3.50 (# 2319:20 Unique 2.27, 4.12 A)
&rst
ixpk= 2319, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1314,1315,1316,
&end
#
# 78 TYR HB+ 80 ILE QD1 3.50 (# 2320:20 Unique 2.21, 4.07 A)
&rst
ixpk= 2320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1268,1269,
igr2=1314,1315,1316,
&end
#
# 78 TYR HB- 80 ILE QD1 3.50 (# 2321:20 Unique 2.21, 4.07 A)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1268,1269,
igr2=1314,1315,1316,
&end
#
# 67 VAL HB 80 ILE QD1 5.50 (# 2322:20 Unique 1.96, 4.42 A)
&rst
ixpk= 2322, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1314,1315,1316,
&end
#
# 80 ILE HB 80 ILE QD1 3.50 (# 2323:20 Unique 1.96, 3.06 A)
&rst
ixpk= 2323, nxpk= 20, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1314,1315,1316,
&end
#
# 80 ILE HG1- 80 ILE QD1 2.80 (# 2324:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1311,1312,
igr2=1314,1315,1316,
&end
#
# 0 AMB 20-2:2325 80 ILE QD1 2.80 (# 2325:20 Single Ambig)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 271,1311,1312,
igr2=1314,1315,1316,
&end
#
# 80 ILE QG2 80 ILE QD1 3.50 (# 2326:20 Unique 1.97, 4.29 A)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1307,1308,1309,
igr2=1314,1315,1316,
&end
#
# 17 LEU MDX 80 ILE QD1 2.80 (# 2327:20 Unique 1.98, 3.98 A)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 273, 274, 275, 277, 278, 279,
igr2=1314,1315,1316,
&end
#
# 48 ILE HG1+ 80 ILE QD1 4.50 (# 2328:20 Unique 3.35, 5.42 A)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 782, 783,
igr2=1314,1315,1316,
&end
#
# 48 ILE QD1 80 ILE QD1 2.80 (# 2329:20 Unique 1.97, 3.96 A)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 785, 786, 787,
igr2=1314,1315,1316,
&end
#
# 48 ILE QG2 80 ILE QD1 3.50 (# 2330:20 Unique 3.36, 5.48 A)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 778, 779, 780,
igr2=1314,1315,1316,
&end
#
# 0 AMB 20-2:2332 0 AMB 20-1:2332 4.50 (# 2332:20 Double Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1500,1440,1441,
igr2=2155,2156,2157,2078,2079,2080,
&end
#
# 134 ILE HB 134 ILE QD1 3.50 (# 2333:20 Unique 1.99, 2.81 A)
&rst
ixpk= 2333, nxpk= 20, iat=2146, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2155,2156,2157,
&end
#
# 0 AMB 20-2:2334 0 AMB 20-1:2334 3.50 (# 2334:20 Double Ambig)
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1437,1438,2286,
igr2=2155,2156,2157,2078,2079,2080,
&end
#
# 128 ILE QG2 0 AMB 20-1:2335 2.80 (# 2335:20 Single Ambig)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2071,2072,2073,
igr2=2155,2156,2157,2078,2079,2080,
&end
#
# 63 GLU HN 62 LEU HA 3.50 (# 2336:20 Unique 2.18, 2.32 A)
&rst
ixpk= 2336, nxpk= 20, iat=1021,1004, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LEU HN 62 LEU HA 4.50 (# 2337:20 Unique 2.84, 2.90 A)
&rst
ixpk= 2337, nxpk= 20, iat=1002,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2338 62 LEU HA 3.50 (# 2338:20 Single Ambig)
&rst
ixpk= 2338, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1006,1007,1006,1007, 832, 833, 832, 833,
&end
#
# 113 ALA HN 113 ALA HA 3.50 (# 2339:20 Unique 2.68, 2.75 A)
&rst
ixpk= 2339, nxpk= 20, iat=1838,1840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 LEU HN 128 ILE QD1 3.50 (# 2340:20 Unique 2.51, 3.73 A)
&rst
ixpk= 2340, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2078,2079,2080,
&end
#
# 0 AMB 20-2:2341 0 AMB 20-1:2341 5.50 (# 2341:20 Double Ambig)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2084,1545,2012,
igr2=2155,2156,2157,2078,2079,2080,
&end
#
# 0 AMB 20-2:2342 128 ILE QD1 4.50 (# 2342:20 Single Ambig)
&rst
ixpk= 2342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2065,2050,
igr2=2078,2079,2080,
&end
#
# 0 AMB 20-2:2343 128 ILE QD1 4.50 (# 2343:20 Single Ambig)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2067,2228,
igr2=2078,2079,2080,
&end
#
# 97 LEU HA 128 ILE QD1 2.80 (# 2344:20 Unique 1.99, 2.47 A)
&rst
ixpk= 2344, nxpk= 20, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2078,2079,2080,
&end
#
# 125 VAL HA 128 ILE QD1 3.50 (# 2345:20 Unique 2.43, 4.09 A)
&rst
ixpk= 2345, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2078,2079,2080,
&end
#
# 97 LEU HB- 128 ILE QD1 2.80 (# 2346:20 Unique 1.99, 3.33 A)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1560,1561,
igr2=2078,2079,2080,
&end
#
# 114 LEU HN 113 ALA HA 4.50 (# 2348:20 Unique 3.55, 3.62 A)
&rst
ixpk= 2348, nxpk= 20, iat=1848,1840, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2349 113 ALA HA 4.50 (# 2349:20 Single Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1886,1910,1911,1756,1757,
&end
#
# 116 GLU HG+ 113 ALA HA 4.50 (# 2350:20 Unique 1.88, 2.84 A)
&rst
ixpk= 2350, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1893,1894,
&end
#
# 116 GLU HB- 113 ALA HA 3.50 (# 2351:20 Unique 2.22, 3.55 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:2352 113 ALA HA 2.80 (# 2352:20 Single Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1842,1843,1844,1821,1822,
&end
#
# 60 ALA HN 59 ILE QD1 4.50 (# 2353:20 Unique 1.94, 3.62 A)
&rst
ixpk= 2353, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 967, 968, 969,
&end
#
# 59 ILE HN 59 ILE QD1 5.50 (# 2354:20 Unique 3.77, 5.45 A)
&rst
ixpk= 2354, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 59 ILE HA 59 ILE QD1 4.50 (# 2355:20 Unique 1.97, 3.39 A)
&rst
ixpk= 2355, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2356 59 ILE QD1 5.50 (# 2356:20 Single Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1401,1452, 941,1331,1332,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2357 59 ILE QD1 4.50 (# 2357:20 Single Ambig)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1476,1477,1476,1477,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2358 59 ILE QD1 2.80 (# 2358:20 Single Ambig)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1096,1406,1407,1406,1407,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2359 59 ILE QD1 2.80 (# 2359:20 Single Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1403,1404,1480,1481,1482,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2360 59 ILE QD1 2.80 (# 2360:20 Single Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 964, 965, 987, 988, 987, 988,
igr2= 967, 968, 969,
&end
#
# 90 LEU HB- 59 ILE QD1 4.50 (# 2361:20 Unique 2.07, 4.24 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1454,1455,
igr2= 967, 968, 969,
&end
#
# 33 ASP HN 33 ASP HA 4.50 (# 2362:20 Unique 2.24, 2.80 A)
&rst
ixpk= 2362, nxpk= 20, iat= 527, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 LEU HG 59 ILE QD1 5.50 (# 2364:20 Unique 2.45, 4.38 A)
&rst
ixpk= 2364, nxpk= 20, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 34 THR HN 33 ASP HA 4.50 (# 2365:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2365, nxpk= 20, iat= 539, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2366 33 ASP HA 2.80 (# 2366:20 Single Ambig)
&rst
ixpk= 2366, nxpk= 20, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 531, 532, 531, 532,
&end
#
# 24 ASP HB+ 24 ASP HA 3.50 (# 2367:20 Unique 2.53, 2.86 A)
&rst
ixpk= 2367, nxpk= 20, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 370, 371,
&end
#
# 25 ARG HN 24 ASP HA 2.80 (# 2368:20 Unique 2.25, 2.30 A)
&rst
ixpk= 2368, nxpk= 20, iat= 378, 368, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ASP HN 24 ASP HA 3.50 (# 2369:20 Unique 2.85, 2.90 A)
&rst
ixpk= 2369, nxpk= 20, iat= 366, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASP HB- 24 ASP HA 2.80 (# 2370:20 Unique 2.53, 2.86 A)
&rst
ixpk= 2370, nxpk= 20, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 370, 371,
&end
#
# 0 AMB 20-2:2371 24 ASP HA 4.50 (# 2371:20 Single Ambig)
&rst
ixpk= 2371, nxpk= 20, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 382, 383, 409, 309,
&end
#
# 0 AMB 20-2:2372 24 ASP HA 4.50 (# 2372:20 Single Ambig)
&rst
ixpk= 2372, nxpk= 20, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 0 AMB 20-2:2373 147 ALA HA 5.50 (# 2373:20 Single Ambig)
&rst
ixpk= 2373, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1669,1670,1669,1670,
&end
#
# 147 ALA HN 147 ALA HA 3.50 (# 2374:20 Unique 2.21, 2.74 A)
&rst
ixpk= 2374, nxpk= 20, iat=2355,2357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 148 LEU HN 147 ALA HA 3.50 (# 2375:20 Unique 2.19, 3.24 A)
&rst
ixpk= 2375, nxpk= 20, iat=2365,2357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 ALA MB 147 ALA HA 2.80 (# 2376:20 Unique 2.24, 2.66 A)
&rst
ixpk= 2376, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2359,2360,2361,
&end
#
# 0 AMB 20-2:2377 147 ALA HA 3.50 (# 2377:20 Single Ambig)
&rst
ixpk= 2377, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2288,2289,2290,2292,2293,2294,2345,2346,2347,2349,
2350,2351,2345,2346,2347,2349,2350,2351,
&end
#
# 109 VAL HN 108 ASN HA 4.50 (# 2378:20 Unique 2.27, 3.41 A)
&rst
ixpk= 2378, nxpk= 20, iat=1761,1749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 ASN HN 108 ASN HA 3.50 (# 2379:20 Unique 2.20, 2.80 A)
&rst
ixpk= 2379, nxpk= 20, iat=1747,1749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2380 0 AMB 20-1:2380 4.50 (# 2380:20 Double Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1767,1768,1769,1771,1772,1773, 545, 546, 547,
igr2=1749, 529,
&end
#
# 16 ILE HN 16 ILE QD1 4.50 (# 2381:20 Unique 2.72, 4.73 A)
&rst
ixpk= 2381, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 258, 259, 260,
&end
#
# 31 TYR HE 16 ILE QD1 4.50 (# 2382:20 Unique 1.99, 5.50 A)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 504, 509,
igr2= 258, 259, 260,
&end
#
# 16 ILE HA 16 ILE QD1 4.50 (# 2383:20 Unique 3.80, 4.50 A)
&rst
ixpk= 2383, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:2385 16 ILE QD1 4.50 (# 2385:20 Single Ambig)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 451,2084,
igr2= 258, 259, 260,
&end
#
# 16 ILE HG1- 16 ILE QD1 2.80 (# 2386:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 255, 256,
igr2= 258, 259, 260,
&end
#
# 16 ILE HB 16 ILE QD1 2.80 (# 2387:20 Unique 1.97, 2.93 A)
&rst
ixpk= 2387, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 258, 259, 260,
&end
#
# 16 ILE HG1+ 16 ILE QD1 2.80 (# 2388:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 255, 256,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:2389 16 ILE QD1 2.80 (# 2389:20 Single Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2090,2091,2092,2094,2095,2096,1565,1566,1567,1569,
1570,1571,
igr2= 258, 259, 260,
&end
#
# 129 VAL MGX 16 ILE QD1 4.50 (# 2390:20 Unique 2.26, 5.56 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2090,2091,2092,2094,2095,2096,
igr2= 258, 259, 260,
&end
#
# 32 ASP HN 32 ASP HA 4.50 (# 2391:20 Unique 2.20, 2.80 A)
&rst
ixpk= 2391, nxpk= 20, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2392 0 AMB 20-1:2392 4.50 (# 2392:20 Double Ambig)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 519, 520, 337, 338,
igr2= 517,1194,
&end
#
# 32 ASP HB- 32 ASP HA 4.50 (# 2393:20 Unique 2.27, 2.76 A)
&rst
ixpk= 2393, nxpk= 20, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 519, 520,
&end
#
# 4 LEU HN 3 ALA HA 3.50 (# 2394:20 Unique 2.19, 2.28 A)
&rst
ixpk= 2394, nxpk= 20, iat= 46, 38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2395 3 ALA HA 4.50 (# 2395:20 Single Ambig)
&rst
ixpk= 2395, nxpk= 20, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 53, 88, 89, 88, 89, 50, 51, 50, 51,
&end
#
# 3 ALA MB 3 ALA HA 2.80 (# 2396:20 Unique 2.25, 2.66 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 40, 41, 42,
&end
#
# 5 ILE HA 5 ILE QD1 5.50 (# 2397:20 Unique 1.93, 3.95 A)
&rst
ixpk= 2397, nxpk= 20, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 78, 79, 80,
&end
#
# 5 ILE HB 5 ILE QD1 3.50 (# 2398:20 Unique 2.04, 3.06 A)
&rst
ixpk= 2398, nxpk= 20, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 78, 79, 80,
&end
#
# 5 ILE HG1+ 5 ILE QD1 2.80 (# 2399:20 Unique 2.27, 2.67 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 75, 76,
igr2= 78, 79, 80,
&end
#
# 5 ILE HG1- 5 ILE QD1 2.80 (# 2400:20 Unique 2.27, 2.67 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 75, 76,
igr2= 78, 79, 80,
&end
#
# 0 AMB 20-2:2401 3 ALA HA 4.50 (# 2401:20 Single Ambig)
&rst
ixpk= 2401, nxpk= 20, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 55, 56, 57, 59, 60, 61, 55, 56, 57, 59,
60, 61, 93, 94, 95, 97, 98, 99, 93, 94,
95, 97, 98, 99,
&end
#
# 5 ILE HN 5 ILE QD1 4.50 (# 2402:20 Unique 1.94, 3.68 A)
&rst
ixpk= 2402, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 78, 79, 80,
&end
#
# 73 ILE HN 73 ILE QD1 4.50 (# 2404:20 Unique 2.64, 4.17 A)
&rst
ixpk= 2404, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1186,1187,1188,
&end
#
# 74 ASP HN 73 ILE QD1 4.50 (# 2405:20 Unique 2.51, 3.85 A)
&rst
ixpk= 2405, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1186,1187,1188,
&end
#
# 109 VAL HN 73 ILE QD1 5.50 (# 2406:20 Unique 2.07, 5.55 A)
&rst
ixpk= 2406, nxpk= 20, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1186,1187,1188,
&end
#
# 108 ASN HD2- 73 ILE QD1 4.50 (# 2407:20 Unique 1.95, 5.46 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1756,1757,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:2408 73 ILE QD1 5.50 (# 2408:20 Single Ambig)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1164,1749,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:2409 73 ILE QD1 4.50 (# 2409:20 Single Ambig)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1763,1175,
igr2=1186,1187,1188,
&end
#
# 108 ASN HB+ 73 ILE QD1 2.80 (# 2410:20 Unique 2.00, 5.21 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1751,1752,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:2411 0 AMB 20-1:2411 2.80 (# 2411:20 Double Ambig)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1177,1377,1378,1377,1378,
igr2=1186,1187,1188, 78, 79, 80,
&end
#
# 0 AMB 20-2:2412 73 ILE QD1 2.80 (# 2412:20 Single Ambig)
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1781,1782,1765,1142,1143,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:2413 0 AMB 20-1:2413 2.80 (# 2413:20 Double Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 53,1183,1184,
igr2= 78, 79, 80,1186,1187,1188,
&end
#
# 73 ILE HG1- 73 ILE QD1 2.80 (# 2414:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1183,1184,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:2415 48 ILE QD1 4.50 (# 2415:20 Single Ambig)
&rst
ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 772, 791, 983,
igr2= 785, 786, 787,
&end
#
# 44 PHE HD 48 ILE QD1 4.50 (# 2416:20 Unique 3.36, 5.49 A)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 709, 717,
igr2= 785, 786, 787,
&end
#
# 78 TYR HD 48 ILE QD1 4.50 (# 2417:20 Unique 3.32, 5.60 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1272,1281,
igr2= 785, 786, 787,
&end
#
# 48 ILE HA 48 ILE QD1 4.50 (# 2418:20 Unique 2.20, 3.30 A)
&rst
ixpk= 2418, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:2419 48 ILE QD1 4.50 (# 2419:20 Single Ambig)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 723, 838, 839,
igr2= 785, 786, 787,
&end
#
# 78 TYR HB+ 48 ILE QD1 4.50 (# 2420:20 Unique 2.80, 5.17 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1268,1269,
igr2= 785, 786, 787,
&end
#
# 67 VAL HB 48 ILE QD1 4.50 (# 2421:20 Unique 2.90, 4.31 A)
&rst
ixpk= 2421, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 785, 786, 787,
&end
#
# 80 ILE HG1- 48 ILE QD1 4.50 (# 2422:20 Unique 1.98, 3.85 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1311,1312,
igr2= 785, 786, 787,
&end
#
# 62 LEU HG 48 ILE QD1 4.50 (# 2423:20 Unique 2.00, 4.42 A)
&rst
ixpk= 2423, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:2424 48 ILE QD1 2.80 (# 2424:20 Single Ambig)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1314,1315,1316,1082,1083,1084,1086,1087,1088,1082,
1083,1084,1086,1087,1088,
igr2= 785, 786, 787,
&end
#
# 48 ILE HG1- 48 ILE QD1 2.80 (# 2425:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 782, 783,
igr2= 785, 786, 787,
&end
#
# 48 ILE HG1+ 48 ILE QD1 2.80 (# 2426:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 782, 783,
igr2= 785, 786, 787,
&end
#
# 138 ASP HA 139 PRO HD- 4.50 (# 2428:20 Unique 1.97, 2.22 A)
&rst
ixpk= 2428, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2219,2220,
&end
#
# 0 AMB 20-2:2430 139 PRO HD- 4.50 (# 2430:20 Single Ambig)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2222,2223,2239,2240,2256,2257,
igr2=2219,2220,
&end
#
# 0 AMB 20-2:2431 139 PRO HD- 4.50 (# 2431:20 Single Ambig)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2222,2223,2253,2254,2253,2254,
igr2=2219,2220,
&end
#
# 138 ASP HA 139 PRO HD+ 3.50 (# 2432:20 Unique 1.97, 2.22 A)
&rst
ixpk= 2432, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2219,2220,
&end
#
# 0 AMB 20-2:2433 0 AMB 20-1:2433 3.50 (# 2433:20 Double Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2222,2223,2239,2240,
igr2=2219,2220,2219,2220,
&end
#
# 0 AMB 20-2:2434 0 AMB 20-1:2434 3.50 (# 2434:20 Double Ambig)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2222,2223,2253,2254,2253,2254,
igr2=2219,2220,2219,2220,2219,2220,
&end
#
# 7 GLU HA 8 PRO HD+ 2.80 (# 2435:20 Unique 2.09, 2.38 A)
&rst
ixpk= 2435, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:2437 0 AMB 20-1:2437 4.50 (# 2437:20 Double Ambig)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 110, 111, 110, 111, 125, 126,
igr2= 119, 120, 119, 120, 119, 120,
&end
#
# 0 AMB 20-2:2438 0 AMB 20-1:2438 2.80 (# 2438:20 Double Ambig)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 122, 123, 122, 123,
igr2= 119, 120, 119, 120,
&end
#
# 7 GLU HA 8 PRO HD- 3.50 (# 2439:20 Unique 2.09, 2.38 A)
&rst
ixpk= 2439, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:2440 8 PRO HD- 4.50 (# 2440:20 Single Ambig)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 86, 128,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:2442 8 PRO HD- 4.50 (# 2442:20 Single Ambig)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 110, 111, 110, 111, 125, 126,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:2443 8 PRO HD- 2.80 (# 2443:20 Single Ambig)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 122, 123, 122, 123,
igr2= 119, 120,
&end
#
# 0 AMB 20-2:2445 36 PRO HD- 3.50 (# 2445:20 Single Ambig)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 555, 529,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:2446 36 PRO HD- 4.50 (# 2446:20 Single Ambig)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 644, 645, 641, 642, 581, 582,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:2447 36 PRO HD- 2.80 (# 2447:20 Single Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 578, 579, 578, 579,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:2448 0 AMB 20-1:2448 3.50 (# 2448:20 Double Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 555, 529,
igr2= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:2449 0 AMB 20-1:2449 4.50 (# 2449:20 Double Ambig)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 644, 645, 581, 582,
igr2= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:2450 0 AMB 20-1:2450 2.80 (# 2450:20 Double Ambig)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 578, 579, 578, 579,
igr2= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:2455 18 ILE HA 3.50 (# 2455:20 Single Ambig)
&rst
ixpk= 2455, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 293, 294, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
&end
#
# 19 LEU HN 18 ILE HA 2.80 (# 2456:20 Unique 2.18, 2.24 A)
&rst
ixpk= 2456, nxpk= 20, iat= 302, 285, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2457 18 ILE HA 4.50 (# 2457:20 Single Ambig)
&rst
ixpk= 2457, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 293, 294, 287,
&end
#
# 18 ILE QG2 18 ILE HA 3.50 (# 2458:20 Unique 2.18, 3.09 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 289, 290, 291,
&end
#
# 59 ILE HB 59 ILE HA 4.50 (# 2459:20 Unique 2.60, 2.77 A)
&rst
ixpk= 2459, nxpk= 20, iat= 958, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ALA HN 59 ILE HA 2.80 (# 2460:20 Unique 2.21, 2.53 A)
&rst
ixpk= 2460, nxpk= 20, iat= 973, 956, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 VAL HA 59 ILE HA 4.50 (# 2461:20 Unique 1.88, 2.14 A)
&rst
ixpk= 2461, nxpk= 20, iat=1094, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE QD1 59 ILE HA 4.50 (# 2462:20 Unique 1.97, 3.39 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 967, 968, 969,
&end
#
# 69 TYR HN 59 ILE HA 5.50 (# 2463:20 Unique 2.64, 3.26 A)
&rst
ixpk= 2463, nxpk= 20, iat=1108, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HG1+ 59 ILE HA 4.50 (# 2464:20 Unique 2.00, 2.80 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 964, 965,
&end
#
# 0 AMB 20-2:2465 59 ILE HA 3.50 (# 2465:20 Single Ambig)
&rst
ixpk= 2465, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 964, 965,
&end
#
# 69 TYR HN 68 VAL HA 3.50 (# 2466:20 Unique 2.18, 2.27 A)
&rst
ixpk= 2466, nxpk= 20, iat=1108,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 VAL HB 68 VAL HA 4.50 (# 2467:20 Unique 2.35, 2.55 A)
&rst
ixpk= 2467, nxpk= 20, iat=1096,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLY HN 80 ILE HA 2.80 (# 2468:20 Unique 2.18, 2.25 A)
&rst
ixpk= 2468, nxpk= 20, iat=1320,1303, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 ILE HG1- 80 ILE HA 4.50 (# 2469:20 Unique 2.24, 3.06 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1311,1312,
&end
#
# 80 ILE HG1+ 80 ILE HA 4.50 (# 2470:20 Unique 2.24, 3.06 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1311,1312,
&end
#
# 80 ILE QG2 80 ILE HA 3.50 (# 2471:20 Unique 2.16, 3.07 A)
&rst
ixpk= 2471, nxpk= 20, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1307,1308,1309,
&end
#
# 0 AMB 20-2:2472 80 ILE HA 2.80 (# 2472:20 Single Ambig)
&rst
ixpk= 2472, nxpk= 20, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1082,1083,1084,1086,1087,1088,1314,1315,1316,
&end
#
# 0 AMB 20-2:2473 68 VAL HA 3.50 (# 2473:20 Single Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 79 VAL HN 78 TYR HA 2.80 (# 2474:20 Unique 2.19, 2.24 A)
&rst
ixpk= 2474, nxpk= 20, iat=1285,1266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 TYR HD 78 TYR HA 4.50 (# 2475:20 Unique 2.04, 3.51 A)
&rst
ixpk= 2475, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1272,1281,
&end
#
# 69 TYR HA 78 TYR HA 4.50 (# 2476:20 Unique 2.11, 2.92 A)
&rst
ixpk= 2476, nxpk= 20, iat=1110,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2477 78 TYR HA 3.50 (# 2477:20 Single Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1268,1269,1112,1113,
&end
#
# 0 AMB 20-2:2478 78 TYR HA 3.50 (# 2478:20 Single Ambig)
&rst
ixpk= 2478, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,1291,1292,1293,1295,1296,1297,1098,1099,
1100,1102,1103,1104,
&end
#
# 71 SER HN 71 SER HA 4.50 (# 2479:20 Unique 2.17, 2.36 A)
&rst
ixpk= 2479, nxpk= 20, iat=1151,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 PHE HN 71 SER HA 4.50 (# 2480:20 Unique 2.38, 3.35 A)
&rst
ixpk= 2480, nxpk= 20, iat=1244,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 SER HN 71 SER HA 3.50 (# 2481:20 Unique 2.22, 2.27 A)
&rst
ixpk= 2481, nxpk= 20, iat=1162,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2482 71 SER HA 4.50 (# 2482:20 Single Ambig)
&rst
ixpk= 2482, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1252,1260, 342, 343,
&end
#
# 0 AMB 20-2:2484 71 SER HA 2.80 (# 2484:20 Single Ambig)
&rst
ixpk= 2484, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1155,1156,1155,1156,
&end
#
# 70 LYS HN 69 TYR HA 3.50 (# 2485:20 Unique 2.19, 2.40 A)
&rst
ixpk= 2485, nxpk= 20, iat=1129,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 TYR HB- 69 TYR HA 4.50 (# 2486:20 Unique 2.33, 2.57 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1112,1113,
&end
#
# 0 AMB 20-2:2487 69 TYR HA 4.50 (# 2487:20 Single Ambig)
&rst
ixpk= 2487, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1291,1292,1293,1295,1296,1297,1082,1083,
1084,1086,1087,1088,1082,1083,1084,1086,1087,1088,
&end
#
# 94 LEU MDX 69 TYR HA 4.50 (# 2488:20 Unique 2.32, 4.26 A)
&rst
ixpk= 2488, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 78 TYR HA 69 TYR HA 4.50 (# 2489:20 Unique 2.11, 2.92 A)
&rst
ixpk= 2489, nxpk= 20, iat=1266,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HB+ 69 TYR HA 4.50 (# 2490:20 Unique 2.33, 2.57 A)
&rst
ixpk= 2490, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1112,1113,
&end
#
# 69 TYR HD 69 TYR HA 4.50 (# 2491:20 Unique 2.22, 4.13 A)
&rst
ixpk= 2491, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1125,
&end
#
# 62 LEU HN 61 LEU HA 2.80 (# 2497:20 Unique 2.18, 2.21 A)
&rst
ixpk= 2497, nxpk= 20, iat=1002, 985, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2498 61 LEU HA 2.80 (# 2498:20 Single Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 990, 987, 988, 987, 988,
&end
#
# 0 AMB 20-2:2499 61 LEU HA 2.80 (# 2499:20 Single Ambig)
&rst
ixpk= 2499, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 67 VAL HN 61 LEU HA 4.50 (# 2500:20 Unique 2.19, 2.97 A)
&rst
ixpk= 2500, nxpk= 20, iat=1076, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 TYR HN 75 LEU HA 3.50 (# 2501:20 Unique 2.18, 2.21 A)
&rst
ixpk= 2501, nxpk= 20, iat=1223,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASP HA 75 LEU HA 3.50 (# 2502:20 Unique 2.12, 2.84 A)
&rst
ixpk= 2502, nxpk= 20, iat= 323,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2503 75 LEU HA 2.80 (# 2503:20 Single Ambig)
&rst
ixpk= 2503, nxpk= 20, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
&end
#
# 0 AMB 20-2:2504 75 LEU HA 3.50 (# 2504:20 Single Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1208,1209,1796,1797,
&end
#
# 18 ILE HN 17 LEU HA 3.50 (# 2505:20 Unique 2.18, 2.27 A)
&rst
ixpk= 2505, nxpk= 20, iat= 283, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2506 17 LEU HA 3.50 (# 2506:20 Single Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 268, 269, 271,
&end
#
# 28 ALA MB 17 LEU HA 3.50 (# 2507:20 Unique 2.10, 4.00 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 445, 446, 447,
&end
#
# 0 AMB 20-2:2508 0 AMB 20-1:2508 4.50 (# 2508:20 Double Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1932,1162,
igr2=1903,1206,
&end
#
# 0 AMB 20-2:2509 117 ASN HA 2.80 (# 2509:20 Single Ambig)
&rst
ixpk= 2509, nxpk= 20, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1915,1901,
&end
#
# 0 AMB 20-2:2510 0 AMB 20-1:2510 4.50 (# 2510:20 Double Ambig)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1947, 342, 343,1910,1911,
igr2=1903,1206,
&end
#
# 0 AMB 20-2:2511 0 AMB 20-1:2511 4.50 (# 2511:20 Double Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1910,1911,1886,1252,1260,
igr2=1903,1206,
&end
#
# 0 AMB 20-2:2512 117 ASN HA 2.80 (# 2512:20 Single Ambig)
&rst
ixpk= 2512, nxpk= 20, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1905,1906,1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:2514 0 AMB 20-1:2514 4.50 (# 2514:20 Double Ambig)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 268, 269, 306, 307,
igr2= 266, 304,
&end
#
# 131 GLY HN 130 ASP HA 4.50 (# 2515:20 Unique 2.25, 2.90 A)
&rst
ixpk= 2515, nxpk= 20, iat=2112,2102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HN 19 LEU HA 4.50 (# 2516:20 Unique 1.88, 2.09 A)
&rst
ixpk= 2516, nxpk= 20, iat= 402, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2517 19 LEU HA 4.50 (# 2517:20 Single Ambig)
&rst
ixpk= 2517, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 409, 309,
&end
#
# 0 AMB 20-2:2518 0 AMB 20-1:2518 2.80 (# 2518:20 Double Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279,
igr2= 304, 266,
&end
#
# 0 AMB 20-2:2519 15 ALA HA 2.80 (# 2519:20 Single Ambig)
&rst
ixpk= 2519, nxpk= 20, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 494, 245,
&end
#
# 15 ALA HN 15 ALA HA 5.50 (# 2520:20 Unique 2.77, 2.85 A)
&rst
ixpk= 2520, nxpk= 20, iat= 235, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ALA MB 15 ALA HA 2.80 (# 2521:20 Unique 2.25, 2.66 A)
&rst
ixpk= 2521, nxpk= 20, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 239, 240, 241,
&end
#
# 20 ASP HN 19 LEU HA 2.80 (# 2522:20 Unique 2.30, 2.53 A)
&rst
ixpk= 2522, nxpk= 20, iat= 321, 304, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 ASN HN 20 ASP HA 5.50 (# 2523:20 Unique 2.42, 2.94 A)
&rst
ixpk= 2523, nxpk= 20, iat= 333, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HB+ 20 ASP HA 3.50 (# 2524:20 Unique 2.26, 2.71 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 325, 326,
&end
#
# 20 ASP HB- 20 ASP HA 3.50 (# 2525:20 Unique 2.26, 2.71 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 325, 326,
&end
#
# 20 ASP HN 20 ASP HA 4.50 (# 2526:20 Unique 2.71, 2.85 A)
&rst
ixpk= 2526, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LEU HA 20 ASP HA 4.50 (# 2527:20 Unique 2.12, 2.84 A)
&rst
ixpk= 2527, nxpk= 20, iat=1206, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2528 20 ASP HA 3.50 (# 2528:20 Single Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
&end
#
# 139 PRO HD- 138 ASP HA 3.50 (# 2530:20 Unique 1.97, 2.22 A)
&rst
ixpk= 2530, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2219,2220,
&end
#
# 139 PRO HD+ 138 ASP HA 3.50 (# 2531:20 Unique 1.97, 2.22 A)
&rst
ixpk= 2531, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2219,2220,
&end
#
# 0 AMB 20-2:2532 138 ASP HA 4.50 (# 2532:20 Single Ambig)
&rst
ixpk= 2532, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2187,2188,2187,2188,2222,2223,2236,2237,
&end
#
# 0 AMB 20-2:2534 129 VAL MGX 4.50 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2071,2072,2073,2028,2029,2030,2032,2033,2034, 258,
259, 260,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 45 GLU HG- 45 GLU HA 4.50 (# 2535:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2535, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 728, 729,
&end
#
# 45 GLU HG+ 45 GLU HA 4.50 (# 2536:20 Unique 2.36, 2.81 A)
&rst
ixpk= 2536, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 728, 729,
&end
#
# 41 GLN HB+ 41 GLN HA 4.50 (# 2537:20 Unique 2.33, 2.67 A)
&rst
ixpk= 2537, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 656, 657,
&end
#
# 75 LEU HN 75 LEU HB+ 5.50 (# 2539:20 Unique 2.52, 3.01 A)
&rst
ixpk= 2539, nxpk= 20, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:2540 0 AMB 20-1:2540 4.50 (# 2540:20 Double Ambig)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1252,1260, 342, 343,1756,1757,
igr2=1208,1209,1208,1209,1208,1209,
&end
#
# 75 LEU HA 75 LEU HB+ 4.50 (# 2541:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2541, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1208,1209,
&end
#
# 131 GLY HN 131 GLY HA+ 4.50 (# 2542:20 Unique 2.25, 2.61 A)
&rst
ixpk= 2542, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2114,2115,
&end
#
# 131 GLY HN 131 GLY HA- 4.50 (# 2543:20 Unique 2.25, 2.61 A)
&rst
ixpk= 2543, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2114,2115,
&end
#
# 130 ASP HA 131 GLY HA+ 5.50 (# 2544:20 Unique 4.37, 4.63 A)
&rst
ixpk= 2544, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 130 ASP HA 131 GLY HA- 5.50 (# 2545:20 Unique 4.37, 4.63 A)
&rst
ixpk= 2545, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2114,2115,
&end
#
# 0 AMB 20-2:2546 131 GLY HA- 5.50 (# 2546:20 Single Ambig)
&rst
ixpk= 2546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2090,2091,2092,2094,2095,2096,2132,2133,2134,2136,
2137,2138,2132,2133,2134,2136,2137,2138,
igr2=2114,2115,
&end
#
# 17 LEU HN 17 LEU HB+ 5.50 (# 2547:20 Unique 3.02, 3.61 A)
&rst
ixpk= 2547, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 268, 269,
&end
#
# 18 ILE HN 17 LEU HB+ 5.50 (# 2548:20 Unique 2.89, 3.77 A)
&rst
ixpk= 2548, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 268, 269,
&end
#
# 18 ILE HN 17 LEU HB- 5.50 (# 2549:20 Unique 2.89, 3.77 A)
&rst
ixpk= 2549, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 268, 269,
&end
#
# 17 LEU HN 17 LEU HB- 5.50 (# 2550:20 Unique 3.02, 3.61 A)
&rst
ixpk= 2550, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 268, 269,
&end
#
# 78 TYR HD 17 LEU HB+ 4.50 (# 2551:20 Unique 1.98, 5.23 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1272,1281,
igr2= 268, 269,
&end
#
# 78 TYR HD 17 LEU HB- 4.50 (# 2552:20 Unique 1.98, 5.23 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1272,1281,
igr2= 268, 269,
&end
#
# 17 LEU HA 17 LEU HB- 4.50 (# 2553:20 Unique 2.19, 2.53 A)
&rst
ixpk= 2553, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 268, 269,
&end
#
# 17 LEU HA 17 LEU HB+ 5.50 (# 2554:20 Unique 2.19, 2.53 A)
&rst
ixpk= 2554, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 268, 269,
&end
#
# 78 TYR HB+ 17 LEU HB+ 4.50 (# 2555:20 Unique 2.00, 4.19 A)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1268,1269,
igr2= 268, 269,
&end
#
# 0 AMB 20-2:2556 17 LEU HB- 4.50 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1314,1315,1316, 251, 252, 253, 239, 240, 241,1082,
1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
1088,
igr2= 268, 269,
&end
#
# 0 AMB 20-2:2557 75 LEU HB- 5.50 (# 2557:20 Single Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1252,1260, 342, 343,1756,1757,
igr2=1208,1209,
&end
#
# 76 TYR HN 75 LEU HB- 4.50 (# 2558:20 Unique 3.21, 4.28 A)
&rst
ixpk= 2558, nxpk= 20, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1208,1209,
&end
#
# 75 LEU HA 75 LEU HB- 4.50 (# 2559:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2559, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1208,1209,
&end
#
# 70 LYS HN 69 TYR HB+ 4.50 (# 2560:20 Unique 2.33, 3.54 A)
&rst
ixpk= 2560, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1112,1113,
&end
#
# 70 LYS HN 69 TYR HB- 5.50 (# 2561:20 Unique 2.33, 3.54 A)
&rst
ixpk= 2561, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1112,1113,
&end
#
# 69 TYR HA 69 TYR HB+ 4.50 (# 2562:20 Unique 2.33, 2.57 A)
&rst
ixpk= 2562, nxpk= 20, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1112,1113,
&end
#
# 69 TYR HA 69 TYR HB- 4.50 (# 2563:20 Unique 2.33, 2.57 A)
&rst
ixpk= 2563, nxpk= 20, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1112,1113,
&end
#
# 113 ALA HN 0 AMB 20-1:2564 5.50 (# 2564:20 Single Ambig)
&rst
ixpk= 2564, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1824,1825,1824,1825,
&end
#
# 136 GLU HN 135 LEU HB+ 4.50 (# 2565:20 Unique 1.91, 3.42 A)
&rst
ixpk= 2565, nxpk= 20, iat=2180, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2165,2166,
&end
#
# 124 ALA HN 123 LEU HB+ 5.50 (# 2566:20 Unique 2.51, 3.54 A)
&rst
ixpk= 2566, nxpk= 20, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1997,1998,
&end
#
# 78 TYR HN 78 TYR HB- 5.50 (# 2567:20 Unique 2.14, 3.06 A)
&rst
ixpk= 2567, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:2568 0 AMB 20-1:2568 4.50 (# 2568:20 Double Ambig)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1223,1277,
igr2=1227,1228,1227,1228,1227,1228,
&end
#
# 17 LEU HN 78 TYR HB+ 4.50 (# 2569:20 Unique 1.95, 3.02 A)
&rst
ixpk= 2569, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1268,1269,
&end
#
# 20 ASP HN 20 ASP HB+ 4.50 (# 2570:20 Unique 2.02, 2.84 A)
&rst
ixpk= 2570, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:2571 0 AMB 20-1:2571 4.50 (# 2571:20 Double Ambig)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1802,1803,1802,1803,
igr2= 325, 326, 325, 326,
&end
#
# 0 AMB 20-2:2572 0 AMB 20-1:2572 4.50 (# 2572:20 Double Ambig)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 311, 312, 313, 315, 316, 317,
igr2= 325, 326, 325, 326, 325, 326,
&end
#
# 138 ASP HN 138 ASP HB+ 4.50 (# 2573:20 Unique 2.09, 3.05 A)
&rst
ixpk= 2573, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2210,2211,
&end
#
# 137 SER HN 138 ASP HB+ 5.50 (# 2574:20 Unique 3.55, 5.02 A)
&rst
ixpk= 2574, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2210,2211,
&end
#
# 116 GLU HN 115 LEU HB+ 4.50 (# 2575:20 Unique 3.28, 4.02 A)
&rst
ixpk= 2575, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 116 GLU HN 115 LEU HB- 4.50 (# 2576:20 Unique 3.28, 4.02 A)
&rst
ixpk= 2576, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:2577 0 AMB 20-1:2577 5.50 (# 2577:20 Double Ambig)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1838, 504, 509,
igr2=1852,1853,1560,1561,
&end
#
# 91 MET HA 94 LEU HB- 5.50 (# 2578:20 Unique 2.38, 3.96 A)
&rst
ixpk= 2578, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1516,1517,
&end
#
# 34 THR HN 0 AMB 20-1:2579 5.50 (# 2579:20 Single Ambig)
&rst
ixpk= 2579, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 477, 478, 531, 532, 531, 532,
&end
#
# 43 ALA HA 0 AMB 20-1:2580 4.50 (# 2580:20 Single Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 749, 750, 749, 750,
&end
#
# 39 LYS HA 42 LYS HE+ 5.50 (# 2581:20 Unique 2.03, 3.66 A)
&rst
ixpk= 2581, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 682, 683,
&end
#
# 39 LYS HA 42 LYS HE- 5.50 (# 2582:20 Unique 2.03, 3.66 A)
&rst
ixpk= 2582, nxpk= 20, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 682, 683,
&end
#
# 0 AMB 20-2:2583 20 ASP HB- 4.50 (# 2583:20 Single Ambig)
&rst
ixpk= 2583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:2584 0 AMB 20-1:2584 5.50 (# 2584:20 Double Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1223,1277,
igr2=1227,1228,1227,1228,1227,1228,
&end
#
# 147 ALA HN 0 AMB 20-1:2585 4.50 (# 2585:20 Single Ambig)
&rst
ixpk= 2585, nxpk= 20, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2369,2370,2369,2370,
&end
#
# 41 GLN HE2+ 29 LYS HE- 5.50 (# 2586:20 Unique 4.67, 5.93 A)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 664, 665,
igr2= 464, 465,
&end
#
# 31 TYR HE 29 LYS HE- 4.50 (# 2587:20 Unique 3.48, 5.90 A)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 504, 509,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:2588 0 AMB 20-1:2588 5.50 (# 2588:20 Double Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 431, 435, 502, 511,
igr2= 464, 465, 464, 465,
&end
#
# 41 GLN HE2+ 29 LYS HE+ 7.00 (# 2589:20 Unique 4.67, 5.93 A)
&rst
ixpk= 2589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 664, 665,
igr2= 464, 465,
&end
#
# 78 TYR HA 78 TYR HB- 5.50 (# 2590:20 Unique 2.53, 2.85 A)
&rst
ixpk= 2590, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 78 TYR HN 77 PHE HB+ 5.50 (# 2591:20 Unique 2.05, 3.58 A)
&rst
ixpk= 2591, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1248,1249,
&end
#
# 70 LYS HN 77 PHE HB+ 5.50 (# 2592:20 Unique 2.41, 3.58 A)
&rst
ixpk= 2592, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1248,1249,
&end
#
# 78 TYR HN 78 TYR HB+ 5.50 (# 2593:20 Unique 2.14, 3.06 A)
&rst
ixpk= 2593, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:2594 0 AMB 20-1:2594 5.50 (# 2594:20 Double Ambig)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 811, 983, 791,
igr2= 838, 839, 838, 839, 838, 839,
&end
#
# 30 TYR HN 29 LYS HE+ 5.50 (# 2595:20 Unique 1.95, 3.18 A)
&rst
ixpk= 2595, nxpk= 20, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 464, 465,
&end
#
# 47 ASN HD2- 51 LYS HE- 5.50 (# 2596:20 Unique 2.35, 5.93 A)
&rst
ixpk= 2596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 767, 768,
igr2= 838, 839,
&end
#
# 42 LYS HN 42 LYS HE- 5.50 (# 2597:20 Unique 3.86, 5.11 A)
&rst
ixpk= 2597, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 682, 683,
&end
#
# 42 LYS HN 42 LYS HE+ 5.50 (# 2598:20 Unique 3.86, 5.11 A)
&rst
ixpk= 2598, nxpk= 20, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 682, 683,
&end
#
# 111 LYS HA 114 LEU HB- 5.50 (# 2599:20 Unique 2.73, 3.39 A)
&rst
ixpk= 2599, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1852,1853,
&end
#
# 91 MET HA 94 LEU HB+ 4.50 (# 2600:20 Unique 2.38, 3.96 A)
&rst
ixpk= 2600, nxpk= 20, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 0 AMB 20-2:2601 0 AMB 20-1:2601 4.50 (# 2601:20 Double Ambig)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1558,1514,
igr2=1560,1561,1560,1561,
&end
#
# 98 PHE HD 70 LYS HE- 5.50 (# 2602:20 Unique 2.37, 4.50 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1583,1591,
igr2=1142,1143,
&end
#
# 0 AMB 20-2:2603 70 LYS HE- 4.50 (# 2603:20 Single Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1252,1260,1585,1589,
igr2=1142,1143,
&end
#
# 27 PHE HD 18 ILE HB 5.50 (# 2604:20 Unique 2.50, 4.43 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 429, 437,
&end
#
# 0 AMB 20-2:2605 0 AMB 20-1:2605 5.50 (# 2605:20 Double Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1252,1260,1585,1589,
igr2=1142,1143,1142,1143,
&end
#
# 98 PHE HD 70 LYS HE+ 5.50 (# 2606:20 Unique 2.37, 4.50 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1583,1591,
igr2=1142,1143,
&end
#
# 122 PHE HN 121 LEU HB- 4.50 (# 2607:20 Unique 3.25, 3.89 A)
&rst
ixpk= 2607, nxpk= 20, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1958,1959,
&end
#
# 27 PHE HN 18 ILE HB 4.50 (# 2608:20 Unique 1.95, 2.77 A)
&rst
ixpk= 2608, nxpk= 20, iat= 421, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2609 0 AMB 20-1:2609 4.50 (# 2609:20 Double Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1973,2022,
igr2=1958,1959,1958,1959,
&end
#
# 96 CYS HA 99 ASP HB- 4.50 (# 2610:20 Unique 2.36, 3.67 A)
&rst
ixpk= 2610, nxpk= 20, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1599,1600,
&end
#
# 121 LEU HA 121 LEU HB+ 4.50 (# 2611:20 Unique 2.20, 2.48 A)
&rst
ixpk= 2611, nxpk= 20, iat=1956, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1958,1959,
&end
#
# 118 MET HA 121 LEU HB+ 5.50 (# 2612:20 Unique 2.81, 4.03 A)
&rst
ixpk= 2612, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:2613 0 AMB 20-1:2613 5.50 (# 2613:20 Double Ambig)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1802,1803,1802,1803,2225,2226,
igr2=1196,1197,1599,1600,
&end
#
# 0 AMB 20-2:2614 0 AMB 20-1:2614 4.50 (# 2614:20 Double Ambig)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.46, r4= 8.96,
igr1=1179,1180,1181,1208,1209,2288,2289,2290,2292,2293,
2294,
igr2=1196,1197,1599,1600,
&end
#
# 35 TYR HD 40 GLU HG- 4.50 (# 2622:20 Unique 3.08, 6.22 A)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 561, 570,
igr2= 644, 645,
&end
#
# 37 SER HN 40 GLU HG- 5.50 (# 2623:20 Unique 3.21, 4.12 A)
&rst
ixpk= 2623, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 644, 645,
&end
#
# 45 GLU HN 44 PHE HB- 5.50 (# 2624:20 Unique 2.27, 3.29 A)
&rst
ixpk= 2624, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 705, 706,
&end
#
# 35 TYR HN 35 TYR HB+ 4.50 (# 2625:20 Unique 2.68, 3.37 A)
&rst
ixpk= 2625, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 557, 558,
&end
#
# 0 AMB 20-2:2626 0 AMB 20-1:2626 4.50 (# 2626:20 Double Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 652, 615,
igr2= 644, 645, 644, 645,
&end
#
# 138 ASP HN 0 AMB 20-1:2627 5.50 (# 2627:20 Single Ambig)
&rst
ixpk= 2627, nxpk= 20, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2187,2188,2187,2188,
&end
#
# 35 TYR HN 35 TYR HB- 5.50 (# 2628:20 Unique 2.68, 3.37 A)
&rst
ixpk= 2628, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 557, 558,
&end
#
# 137 SER HN 0 AMB 20-1:2629 4.50 (# 2629:20 Single Ambig)
&rst
ixpk= 2629, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2187,2188,2187,2188,
&end
#
# 136 GLU HN 0 AMB 20-1:2630 5.50 (# 2630:20 Single Ambig)
&rst
ixpk= 2630, nxpk= 20, iat=2180, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2187,2188,2187,2188,
&end
#
# 135 LEU HN 134 ILE HB 5.50 (# 2631:20 Unique 2.48, 3.30 A)
&rst
ixpk= 2631, nxpk= 20, iat=2161,2146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ASN HD2+ 108 ASN HB- 4.50 (# 2632:20 Unique 2.10, 3.29 A)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1756,1757,
igr2=1751,1752,
&end
#
# 108 ASN HD2+ 108 ASN HB+ 4.50 (# 2633:20 Unique 2.10, 3.29 A)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1756,1757,
igr2=1751,1752,
&end
#
# 0 AMB 20-2:2634 44 PHE HB- 5.50 (# 2634:20 Single Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 767, 768, 711, 715,
igr2= 705, 706,
&end
#
# 0 AMB 20-2:2635 40 GLU HG- 5.50 (# 2635:20 Single Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 575, 576, 575, 576,
igr2= 644, 645,
&end
#
# 37 SER HB- 40 GLU HG- 5.50 (# 2636:20 Unique 1.98, 2.91 A)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 592, 593,
igr2= 644, 645,
&end
#
# 136 GLU HA 0 AMB 20-1:2637 5.50 (# 2637:20 Single Ambig)
&rst
ixpk= 2637, nxpk= 20, iat=2182, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2187,2188,2187,2188,
&end
#
# 0 AMB 20-2:2638 0 AMB 20-1:2638 4.50 (# 2638:20 Double Ambig)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2219,2220,2228,1597,
igr2=2239,2240,1655,1656,
&end
#
# 73 ILE HN 73 ILE HB 4.50 (# 2639:20 Unique 3.67, 3.76 A)
&rst
ixpk= 2639, nxpk= 20, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2640 0 AMB 20-1:2640 4.50 (# 2640:20 Double Ambig)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2050,2065,
igr2=2057,2058,2057,2058,
&end
#
# 110 GLU HA 73 ILE HB 4.50 (# 2641:20 Unique 2.06, 2.83 A)
&rst
ixpk= 2641, nxpk= 20, iat=1779,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 GLN HE2+ 140 GLN HG+ 5.50 (# 2642:20 Unique 2.25, 3.49 A)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2244,2245,
igr2=2239,2240,
&end
#
# 103 GLN HE2- 140 GLN HG+ 5.50 (# 2643:20 Unique 4.76, 6.79 A)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1660,1661,
igr2=2239,2240,
&end
#
# 51 LYS HE+ 51 LYS HB- 4.50 (# 2644:20 Unique 2.03, 3.86 A)
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 838, 839,
igr2= 829, 830,
&end
#
# 48 ILE HA 51 LYS HB- 4.50 (# 2645:20 Unique 2.36, 3.81 A)
&rst
ixpk= 2645, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:2646 0 AMB 20-1:2646 4.50 (# 2646:20 Double Ambig)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 628, 629, 628, 629,
igr2= 619, 620, 619, 620,
&end
#
# 40 GLU HA 39 LYS HB- 4.50 (# 2647:20 Unique 4.03, 4.81 A)
&rst
ixpk= 2647, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 619, 620,
&end
#
# 0 AMB 20-2:2648 0 AMB 20-1:2648 5.50 (# 2648:20 Double Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2208, 956,
igr2=2256,2257,1096,
&end
#
# 40 GLU HG- 39 LYS HB- 4.50 (# 2649:20 Unique 3.20, 4.95 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 644, 645,
igr2= 619, 620,
&end
#
# 0 AMB 20-2:2650 68 VAL HB 5.50 (# 2650:20 Single Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1285,1076,
&end
#
# 112 ARG HN 111 LYS HB+ 4.50 (# 2651:20 Unique 2.37, 3.59 A)
&rst
ixpk= 2651, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1796,1797,
&end
#
# 112 ARG HN 111 LYS HB- 5.50 (# 2652:20 Unique 2.37, 3.59 A)
&rst
ixpk= 2652, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1796,1797,
&end
#
# 111 LYS HN 111 LYS HB+ 5.50 (# 2653:20 Unique 2.14, 2.88 A)
&rst
ixpk= 2653, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1796,1797,
&end
#
# 111 LYS HN 111 LYS HB- 4.50 (# 2654:20 Unique 2.14, 2.88 A)
&rst
ixpk= 2654, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1796,1797,
&end
#
# 141 GLN HE2+ 141 GLN HG+ 5.50 (# 2655:20 Unique 2.14, 3.37 A)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2261,2262,
igr2=2256,2257,
&end
#
# 141 GLN HE2+ 141 GLN HG- 4.50 (# 2656:20 Unique 2.14, 3.37 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2261,2262,
igr2=2256,2257,
&end
#
# 110 GLU HN 110 GLU HB- 5.50 (# 2657:20 Unique 2.36, 3.07 A)
&rst
ixpk= 2657, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,
&end
#
# 111 LYS HN 110 GLU HB- 5.50 (# 2659:20 Unique 1.91, 2.88 A)
&rst
ixpk= 2659, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,
&end
#
# 111 LYS HN 110 GLU HB+ 4.50 (# 2660:20 Unique 1.91, 2.88 A)
&rst
ixpk= 2660, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1781,1782,
&end
#
# 119 GLU HN 118 MET HG- 5.50 (# 2661:20 Unique 4.20, 4.77 A)
&rst
ixpk= 2661, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1922,1923,
&end
#
# 119 GLU HN 118 MET HG+ 5.50 (# 2662:20 Unique 4.20, 4.77 A)
&rst
ixpk= 2662, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:2663 0 AMB 20-1:2663 5.50 (# 2663:20 Double Ambig)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1981,1989,1954,
igr2=1922,1923,1922,1923,
&end
#
# 0 AMB 20-2:2664 118 MET HG- 4.50 (# 2664:20 Single Ambig)
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1983,1987,1981,1989,1954,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:2665 0 AMB 20-1:2665 5.50 (# 2665:20 Double Ambig)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2232,1848,2282,
igr2=2256,2257,1781,1782,2256,2257,
&end
#
# 136 GLU HN 0 AMB 20-1:2666 5.50 (# 2666:20 Single Ambig)
&rst
ixpk= 2666, nxpk= 20, iat=2180, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2184,2185,2184,2185,
&end
#
# 0 AMB 20-2:2667 13 VAL HB 7.00 (# 2667:20 Single Ambig)
&rst
ixpk= 2667, nxpk= 20, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 183,1301,
&end
#
# 140 GLN HN 139 PRO HB+ 5.50 (# 2668:20 Unique 1.94, 3.21 A)
&rst
ixpk= 2668, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2225,2226,
&end
#
# 100 SER HN 139 PRO HB+ 5.50 (# 2669:20 Unique 2.03, 4.21 A)
&rst
ixpk= 2669, nxpk= 20, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2225,2226,
&end
#
# 89 MET HA 89 MET HG+ 4.50 (# 2670:20 Unique 3.53, 3.81 A)
&rst
ixpk= 2670, nxpk= 20, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1440,1441,
&end
#
# 12 THR HN 12 THR HB 4.50 (# 2672:20 Unique 2.65, 3.50 A)
&rst
ixpk= 2672, nxpk= 20, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HN 55 THR HB 5.50 (# 2673:20 Unique 1.94, 3.19 A)
&rst
ixpk= 2673, nxpk= 20, iat= 916, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HN 55 THR HB 5.50 (# 2674:20 Unique 2.18, 2.70 A)
&rst
ixpk= 2674, nxpk= 20, iat= 902, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER HN 55 THR HB 4.50 (# 2675:20 Unique 2.26, 3.21 A)
&rst
ixpk= 2675, nxpk= 20, iat= 928, 906, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 TYR HE 52 THR HB 7.00 (# 2677:20 Unique 2.43, 5.25 A)
&rst
ixpk= 2677, nxpk= 20, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1274,1279,
&end
#
# 0 AMB 20-2:2678 104 MET HG- 4.50 (# 2678:20 Single Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:2679 0 AMB 20-1:2679 4.50 (# 2679:20 Double Ambig)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=2288,2289,2290,2292,2293,2294, 605, 606, 607, 609,
610, 611,2075,2076,2075,2076,
igr2=2225,2226, 619, 620,
&end
#
# 41 GLN HN 0 AMB 20-1:2680 5.50 (# 2680:20 Single Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 659, 660, 659, 660,
&end
#
# 0 AMB 20-2:2681 0 AMB 20-1:2681 4.50 (# 2681:20 Double Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 664, 665, 664, 665,
igr2= 659, 660, 659, 660,
&end
#
# 0 AMB 20-2:2682 12 THR HB 7.00 (# 2682:20 Single Ambig)
&rst
ixpk= 2682, nxpk= 20, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2152,2153,2152,2153,
&end
#
# 0 AMB 20-2:2683 0 AMB 20-1:2683 5.50 (# 2683:20 Double Ambig)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1=2078,2079,2080,2155,2156,2157,2272,2273,2274,2276,
2277,2278,2272,2273,2274,2276,2277,2278,
igr2=1549,1550,1549,1550,1549,1550,1549,1550,
&end
#
# 0 AMB 20-2:2684 96 CYS HB- 4.50 (# 2684:20 Single Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2078,2079,2080,2155,2156,2157,2272,2273,2274,2276,
2277,2278,2272,2273,2274,2276,2277,2278,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:2685 0 AMB 20-1:2685 4.50 (# 2685:20 Double Ambig)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1502,1503,1504,1506,1507,1508,1565,1566,1567,1569,
1570,1571,2075,2076,
igr2=1549,1550,1549,1550,1549,1550,
&end
#
# 0 AMB 20-2:2686 96 CYS HB- 4.50 (# 2686:20 Single Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1502,1503,1504,1506,1507,1508,1565,1566,1567,1569,
1570,1571,2075,2076,
igr2=1549,1550,
&end
#
# 0 AMB 20-2:2687 0 AMB 20-1:2687 5.50 (# 2687:20 Double Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=2152,2153,2152,2153,2146,2165,2166,
igr2=1549,1550,1549,1550,1549,1550,1549,1550,
&end
#
# 0 AMB 20-2:2688 17 LEU MDX 4.50 (# 2688:20 Single Ambig)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 283,1264,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 45 GLU HN 17 LEU MDX 5.50 (# 2689:20 Unique 4.61, 6.57 A)
&rst
ixpk= 2689, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 29 LYS HN 17 LEU MDX 5.50 (# 2690:20 Unique 2.68, 5.45 A)
&rst
ixpk= 2690, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 68 VAL HN 90 LEU MDX 5.50 (# 2691:20 Unique 2.16, 5.50 A)
&rst
ixpk= 2691, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 0 AMB 20-2:2692 97 LEU MDX 5.50 (# 2692:20 Single Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2022,1512,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 25 ARG HN 19 LEU MDX 5.50 (# 2693:20 Unique 2.21, 5.50 A)
&rst
ixpk= 2693, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 26 LEU HN 19 LEU MDX 7.00 (# 2694:20 Unique 2.49, 5.64 A)
&rst
ixpk= 2694, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:2695 0 AMB 20-1:2695 5.50 (# 2695:20 Double Ambig)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1575,1301,1556,
igr2=1521,1522,1523,1525,1526,1527,1011,1012,1013,1015,
1016,1017,
&end
#
# 27 PHE HA 121 LEU MDX 5.50 (# 2697:20 Unique 4.05, 6.45 A)
&rst
ixpk= 2697, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 122 PHE HA 121 LEU MDX 7.00 (# 2698:20 Unique 2.64, 4.78 A)
&rst
ixpk= 2698, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 48 ILE HA 62 LEU MDX 3.50 (# 2699:20 Unique 1.95, 3.30 A)
&rst
ixpk= 2699, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 122 PHE HA 121 LEU HG 5.50 (# 2700:20 Unique 2.94, 3.11 A)
&rst
ixpk= 2700, nxpk= 20, iat=1975,1961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 PHE HA 121 LEU HG 5.50 (# 2701:20 Unique 2.94, 3.11 A)
&rst
ixpk= 2701, nxpk= 20, iat=1975,1961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2702 75 LEU HG 7.00 (# 2702:20 Single Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1166,1167,1850,1816,
&end
#
# 37 SER HN 37 SER HB+ 5.50 (# 2703:20 Unique 2.04, 2.73 A)
&rst
ixpk= 2703, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 37 SER HN 37 SER HB- 4.50 (# 2704:20 Unique 2.04, 2.73 A)
&rst
ixpk= 2704, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:2705 37 SER HB- 5.50 (# 2705:20 Single Ambig)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 615, 652,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:2706 0 AMB 20-1:2706 4.50 (# 2706:20 Double Ambig)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 615, 652,
igr2= 592, 593, 592, 593,
&end
#
# 38 VAL HN 37 SER HB+ 5.50 (# 2707:20 Unique 2.44, 3.50 A)
&rst
ixpk= 2707, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 38 VAL HN 37 SER HB- 7.00 (# 2708:20 Unique 2.44, 3.50 A)
&rst
ixpk= 2708, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 592, 593,
&end
#
# 97 LEU HN 93 VAL HA 5.50 (# 2709:20 Unique 2.89, 3.46 A)
&rst
ixpk= 2709, nxpk= 20, iat=1556,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 CYS HN 93 VAL HA 5.50 (# 2710:20 Unique 3.23, 3.41 A)
&rst
ixpk= 2710, nxpk= 20, iat=1545,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LEU HN 93 VAL HA 5.50 (# 2711:20 Unique 3.53, 3.61 A)
&rst
ixpk= 2711, nxpk= 20, iat=1512,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 TYR HD 19 LEU HG 5.50 (# 2712:20 Unique 2.05, 5.10 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1272,1281,
&end
#
# 64 GLY HN 63 GLU HB- 5.50 (# 2713:20 Unique 4.32, 4.45 A)
&rst
ixpk= 2713, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1025,1026,
&end
#
# 64 GLY HN 63 GLU HB+ 5.50 (# 2714:20 Unique 4.32, 4.45 A)
&rst
ixpk= 2714, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:2715 63 GLU HB- 5.50 (# 2715:20 Single Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 711, 715, 767, 768,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:2716 0 AMB 20-1:2716 5.50 (# 2716:20 Double Ambig)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 711, 715, 767, 768,
igr2=1025,1026,1025,1026,
&end
#
# 44 PHE HD 63 GLU HB- 7.00 (# 2717:20 Unique 5.00, 7.88 A)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 709, 717,
igr2=1025,1026,
&end
#
# 18 ILE HN 17 LEU HG 5.50 (# 2718:20 Unique 4.97, 5.15 A)
&rst
ixpk= 2718, nxpk= 20, iat= 283, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LEU HN 94 LEU HG 4.50 (# 2719:20 Unique 1.93, 4.22 A)
&rst
ixpk= 2719, nxpk= 20, iat=1512,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2720 0 AMB 20-1:2720 4.50 (# 2720:20 Double Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 767, 768, 711, 715,
igr2= 782, 783, 782, 783,
&end
#
# 0 AMB 20-2:2721 48 ILE HG1- 5.50 (# 2721:20 Single Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 767, 768, 711, 715,
igr2= 782, 783,
&end
#
# 44 PHE HD 48 ILE HG1- 5.50 (# 2722:20 Unique 2.62, 4.30 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 709, 717,
igr2= 782, 783,
&end
#
# 44 PHE HD 48 ILE HG1+ 7.00 (# 2723:20 Unique 2.62, 4.30 A)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 709, 717,
igr2= 782, 783,
&end
#
# 17 LEU HA 17 LEU HG 4.50 (# 2724:20 Unique 3.20, 3.53 A)
&rst
ixpk= 2724, nxpk= 20, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 TYR HD 17 LEU HG 5.50 (# 2725:20 Unique 2.63, 4.91 A)
&rst
ixpk= 2725, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1272,1281,
&end
#
# 99 ASP HB+ 139 PRO HG- 4.50 (# 2726:20 Unique 1.99, 4.30 A)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1599,1600,
igr2=2222,2223,
&end
#
# 99 ASP HB+ 139 PRO HG+ 4.50 (# 2727:20 Unique 1.99, 4.30 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1599,1600,
igr2=2222,2223,
&end
#
# 138 ASP HA 139 PRO HG- 4.50 (# 2728:20 Unique 4.24, 4.39 A)
&rst
ixpk= 2728, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2222,2223,
&end
#
# 138 ASP HA 139 PRO HG+ 5.50 (# 2729:20 Unique 4.24, 4.39 A)
&rst
ixpk= 2729, nxpk= 20, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2222,2223,
&end
#
# 0 AMB 20-2:2730 94 LEU HG 5.50 (# 2730:20 Single Ambig)
&rst
ixpk= 2730, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1476,1477,1476,1477,1535,1536,1535,1536,1248,1249,
&end
#
# 95 ASN HA 94 LEU HG 5.50 (# 2731:20 Unique 2.99, 3.54 A)
&rst
ixpk= 2731, nxpk= 20, iat=1533,1519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 GLN HN 139 PRO HG+ 4.50 (# 2732:20 Unique 2.19, 3.05 A)
&rst
ixpk= 2732, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2222,2223,
&end
#
# 124 ALA HN 123 LEU HG 5.50 (# 2733:20 Unique 1.95, 3.45 A)
&rst
ixpk= 2733, nxpk= 20, iat=2012,2000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2734 123 LEU HG 7.00 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1973,2022,
&end
#
# 95 ASN HN 94 LEU HG 4.50 (# 2735:20 Unique 2.11, 3.23 A)
&rst
ixpk= 2735, nxpk= 20, iat=1531,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2736 48 ILE HG1- 5.50 (# 2736:20 Single Ambig)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 762, 763, 762, 763,1268,1269,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:2737 0 AMB 20-1:2737 5.50 (# 2737:20 Double Ambig)
&rst
ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 762, 763, 762, 763,1268,1269,
igr2= 782, 783, 782, 783, 782, 783,
&end
#
# 45 GLU HA 48 ILE HG1+ 4.50 (# 2738:20 Unique 1.98, 2.77 A)
&rst
ixpk= 2738, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:2739 146 VAL HA 4.50 (# 2739:20 Single Ambig)
&rst
ixpk= 2739, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2384,2365,
&end
#
# 147 ALA HN 146 VAL HA 4.50 (# 2740:20 Unique 2.40, 3.04 A)
&rst
ixpk= 2740, nxpk= 20, iat=2355,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2743 146 VAL HA 5.50 (# 2743:20 Single Ambig)
&rst
ixpk= 2743, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2359,2360,2361,1997,1998,
&end
#
# 0 AMB 20-2:2744 146 VAL HA 4.50 (# 2744:20 Single Ambig)
&rst
ixpk= 2744, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 20-2:2745 0 AMB 20-1:2745 5.50 (# 2745:20 Double Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 477, 478, 531, 532, 531, 532, 531, 532,
igr2= 578, 579, 578, 579, 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:2746 0 AMB 20-1:2746 5.50 (# 2746:20 Double Ambig)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1761,1682,
igr2=1732,1733,1732,1733,1732,1733,
&end
#
# 135 LEU HN 93 VAL MGY 5.50 (# 2747:20 Unique 4.30, 7.47 A)
&rst
ixpk= 2747, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:2748 93 VAL MGY 5.50 (# 2748:20 Single Ambig)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2142,1575,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:2749 0 AMB 20-1:2749 4.50 (# 2749:20 Double Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1682,2339,1607,1469,
igr2=2288,2289,2290,2292,2293,2294,1502,1503,1504,1506,
1507,1508,
&end
#
# 0 AMB 20-2:2750 0 AMB 20-1:2750 5.50 (# 2750:20 Double Ambig)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 721,1556,2100,
igr2= 273, 274, 275, 277, 278, 279,2028,2029,2030,2032,
2033,2034,
&end
#
# 0 AMB 20-2:2751 121 LEU MDY 5.50 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2012, 451,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:2752 121 LEU MDY 5.50 (# 2752:20 Single Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1993,1901,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 99 ASP HN 98 PHE HA 4.50 (# 2755:20 Unique 3.55, 3.61 A)
&rst
ixpk= 2755, nxpk= 20, iat=1595,1577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2756 83 SER HB- 5.50 (# 2756:20 Single Ambig)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1394,1395,1349,
igr2=1342,1343,
&end
#
# 84 TYR HN 83 SER HB+ 5.50 (# 2757:20 Unique 1.94, 4.42 A)
&rst
ixpk= 2757, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1342,1343,
&end
#
# 100 SER HN 100 SER HA 4.50 (# 2758:20 Unique 2.63, 2.74 A)
&rst
ixpk= 2758, nxpk= 20, iat=1607,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2759 48 ILE HA 4.50 (# 2759:20 Single Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 767, 768, 825,
&end
#
# 0 AMB 20-2:2760 98 PHE HA 4.50 (# 2760:20 Single Ambig)
&rst
ixpk= 2760, nxpk= 20, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1252,1260,1585,1589,
&end
#
# 101 LEU HN 98 PHE HA 5.50 (# 2761:20 Unique 3.62, 4.02 A)
&rst
ixpk= 2761, nxpk= 20, iat=1618,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 VAL HN 128 ILE HA 5.50 (# 2762:20 Unique 3.51, 3.61 A)
&rst
ixpk= 2762, nxpk= 20, iat=2084,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU HN 8 PRO HA 5.50 (# 2764:20 Unique 3.34, 4.19 A)
&rst
ixpk= 2764, nxpk= 20, iat= 143, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2765 66 THR HA 5.50 (# 2765:20 Single Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 973,1320,
&end
#
# 0 AMB 20-2:2767 66 THR HA 4.50 (# 2767:20 Single Ambig)
&rst
ixpk= 2767, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1080,1406,1407,1096,
&end
#
# 0 AMB 20-2:2768 66 THR HA 4.50 (# 2768:20 Single Ambig)
&rst
ixpk= 2768, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 987, 988, 987, 988, 990,
&end
#
# 0 AMB 20-2:2769 0 AMB 20-1:2769 4.50 (# 2769:20 Double Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 829, 830,1625,
igr2= 774,1577,
&end
#
# 0 AMB 20-2:2770 100 SER HA 5.50 (# 2770:20 Single Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225,2226,1655,1656,
&end
#
# 0 AMB 20-2:2771 83 SER HB- 7.00 (# 2771:20 Single Ambig)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=1403,1404,1444,1445,1446,
igr2=1342,1343,
&end
#
# 112 ARG HN 111 LYS HA 5.50 (# 2772:20 Unique 3.56, 3.62 A)
&rst
ixpk= 2772, nxpk= 20, iat=1814,1794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 SER HN 100 SER HB+ 5.50 (# 2773:20 Unique 2.02, 2.68 A)
&rst
ixpk= 2773, nxpk= 20, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1611,1612,
&end
#
# 101 LEU HN 100 SER HB+ 5.50 (# 2774:20 Unique 1.98, 2.97 A)
&rst
ixpk= 2774, nxpk= 20, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1611,1612,
&end
#
# 53 HIS HN 52 THR HA 4.50 (# 2777:20 Unique 2.75, 3.43 A)
&rst
ixpk= 2777, nxpk= 20, iat= 861, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HD 52 THR HA 5.50 (# 2778:20 Unique 2.72, 4.94 A)
&rst
ixpk= 2778, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1125,
&end
#
# 98 PHE HE 0 AMB 20-1:2779 5.50 (# 2779:20 Single Ambig)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1585,1589,
igr2=1641,1642,1641,1642,
&end
#
# 0 AMB 20-2:2780 113 ALA MB 5.50 (# 2780:20 Single Ambig)
&rst
ixpk= 2780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1824,1825,1824,1825,
igr2=1842,1843,1844,
&end
#
# 30 TYR HH 45 GLU HA 5.50 (# 2781:20 Unique 3.66, 4.74 A)
&rst
ixpk= 2781, nxpk= 20, iat= 486, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2782 45 GLU HA 5.50 (# 2782:20 Single Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 772, 791,
&end
#
# 46 LYS HN 45 GLU HA 5.50 (# 2783:20 Unique 3.32, 3.47 A)
&rst
ixpk= 2783, nxpk= 20, iat= 736, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2784 45 GLU HA 5.50 (# 2784:20 Single Ambig)
&rst
ixpk= 2784, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 758, 767, 768,
&end
#
# 44 PHE HD 45 GLU HA 5.50 (# 2785:20 Unique 3.36, 4.87 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 717,
&end
#
# 48 ILE HB 45 GLU HA 4.50 (# 2786:20 Unique 1.87, 1.97 A)
&rst
ixpk= 2786, nxpk= 20, iat= 776, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HG1+ 45 GLU HA 5.50 (# 2787:20 Unique 1.98, 2.77 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 783,
&end
#
# 48 ILE QD1 45 GLU HA 5.50 (# 2788:20 Unique 4.02, 4.70 A)
&rst
ixpk= 2788, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 785, 786, 787,
&end
#
# 48 ILE QG2 45 GLU HA 5.50 (# 2789:20 Unique 2.21, 4.10 A)
&rst
ixpk= 2789, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 778, 779, 780,
&end
#
# 82 SER HN 82 SER HA 4.50 (# 2790:20 Unique 2.17, 2.68 A)
&rst
ixpk= 2790, nxpk= 20, iat=1327,1329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 VAL HN 80 ILE HA 4.50 (# 2791:20 Unique 3.44, 3.80 A)
&rst
ixpk= 2791, nxpk= 20, iat=1092,1303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ILE HN 80 ILE HA 4.50 (# 2792:20 Unique 2.78, 2.87 A)
&rst
ixpk= 2792, nxpk= 20, iat=1301,1303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2793 80 ILE HA 5.50 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1285,1327,1076,
&end
#
# 68 VAL HN 68 VAL HA 5.50 (# 2794:20 Unique 2.79, 2.92 A)
&rst
ixpk= 2794, nxpk= 20, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HA 68 VAL HA 4.50 (# 2795:20 Unique 1.88, 2.14 A)
&rst
ixpk= 2795, nxpk= 20, iat= 956,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HD 59 ILE HA 5.50 (# 2796:20 Unique 3.01, 5.64 A)
&rst
ixpk= 2796, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1125,
&end
#
# 0 AMB 20-2:2797 59 ILE HA 5.50 (# 2797:20 Single Ambig)
&rst
ixpk= 2797, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 977, 978, 979,1454,1455,
&end
#
# 68 VAL HB 59 ILE HA 5.50 (# 2798:20 Unique 3.00, 3.76 A)
&rst
ixpk= 2798, nxpk= 20, iat=1096, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 VAL HB 80 ILE HA 7.00 (# 2799:20 Unique 1.97, 2.82 A)
&rst
ixpk= 2799, nxpk= 20, iat=1080,1303, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 80 ILE HB 80 ILE HA 5.50 (# 2800:20 Unique 2.98, 3.01 A)
&rst
ixpk= 2800, nxpk= 20, iat=1305,1303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HE 41 GLN HA 5.50 (# 2801:20 Unique 2.48, 4.32 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 483, 488,
&end
#
# 35 TYR HD 41 GLN HA 5.50 (# 2802:20 Unique 2.06, 5.22 A)
&rst
ixpk= 2802, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 570,
&end
#
# 44 PHE HD 41 GLN HA 5.50 (# 2803:20 Unique 3.96, 5.38 A)
&rst
ixpk= 2803, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 717,
&end
#
# 44 PHE HN 41 GLN HA 4.50 (# 2804:20 Unique 2.86, 3.41 A)
&rst
ixpk= 2804, nxpk= 20, iat= 701, 654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2805 41 GLN HA 4.50 (# 2805:20 Single Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 669, 721,
&end
#
# 117 ASN HD2+ 114 LEU HA 4.50 (# 2806:20 Unique 1.92, 3.19 A)
&rst
ixpk= 2806, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1910,1911,
&end
#
# 113 ALA HN 114 LEU HA 5.50 (# 2807:20 Unique 5.08, 5.34 A)
&rst
ixpk= 2807, nxpk= 20, iat=1838,1850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2808 0 AMB 20-1:2808 5.50 (# 2808:20 Double Ambig)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1231,1240,1394,1395,
igr2= 863,1416,
&end
#
# 41 GLN HB- 41 GLN HA 4.50 (# 2809:20 Unique 2.33, 2.67 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 656, 657,
&end
#
# 0 AMB 20-2:2810 41 GLN HA 4.50 (# 2810:20 Single Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 705, 706, 557, 558,
&end
#
# 44 PHE HB+ 41 GLN HA 5.50 (# 2811:20 Unique 2.40, 3.44 A)
&rst
ixpk= 2811, nxpk= 20, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 705, 706,
&end
#
# 18 ILE QG2 26 LEU HA 5.50 (# 2812:20 Unique 5.52, 6.86 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 95 ASN HN 92 ALA MB 5.50 (# 2813:20 Unique 5.33, 5.99 A)
&rst
ixpk= 2813, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1490,1491,1492,
&end
#
# 111 LYS HN 73 ILE QG2 5.50 (# 2814:20 Unique 4.09, 5.40 A)
&rst
ixpk= 2814, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:2815 124 ALA MB 4.50 (# 2815:20 Single Ambig)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2065,2050,
igr2=2016,2017,2018,
&end
#
# 126 ASP HN 124 ALA MB 5.50 (# 2816:20 Unique 4.46, 5.27 A)
&rst
ixpk= 2816, nxpk= 20, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2016,2017,2018,
&end
#
# 108 ASN HD2+ 73 ILE QG2 5.50 (# 2817:20 Unique 1.92, 3.91 A)
&rst
ixpk= 2817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1756,1757,
igr2=1179,1180,1181,
&end
#
# 110 GLU HN 73 ILE QG2 5.50 (# 2818:20 Unique 3.53, 5.09 A)
&rst
ixpk= 2818, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 78 TYR HN 78 TYR HA 4.50 (# 2819:20 Unique 2.86, 2.92 A)
&rst
ixpk= 2819, nxpk= 20, iat=1264,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2820 78 TYR HA 5.50 (# 2820:20 Single Ambig)
&rst
ixpk= 2820, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1092, 264,1244,
&end
#
# 0 AMB 20-2:2821 78 TYR HA 4.50 (# 2821:20 Single Ambig)
&rst
ixpk= 2821, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1129,1108,
&end
#
# 0 AMB 20-2:2822 78 TYR HA 5.50 (# 2822:20 Single Ambig)
&rst
ixpk= 2822, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1287,1078,
&end
#
# 0 AMB 20-2:2823 78 TYR HA 4.50 (# 2823:20 Single Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1521,1522,1523,1525,1526,1527, 273, 274, 275, 277,
278, 279, 293, 294,
&end
#
# 0 AMB 20-2:2824 78 TYR HA 5.50 (# 2824:20 Single Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1289,1516,1517,
&end
#
# 69 TYR HB+ 78 TYR HA 5.50 (# 2825:20 Unique 2.75, 3.66 A)
&rst
ixpk= 2825, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112,1113,
&end
#
# 0 AMB 20-2:2826 78 TYR HA 5.50 (# 2826:20 Single Ambig)
&rst
ixpk= 2826, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 271, 268, 269,1133,1134, 977, 978, 979,1519,
&end
#
# 17 LEU HA 16 ILE QG2 5.50 (# 2827:20 Unique 3.22, 4.27 A)
&rst
ixpk= 2827, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:2828 92 ALA MB 3.50 (# 2828:20 Single Ambig)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1437,1438,1516,1517,1444,1445,1446,
igr2=1490,1491,1492,
&end
#
# 59 ILE HA 91 MET ME 5.50 (# 2829:20 Unique 3.84, 5.50 A)
&rst
ixpk= 2829, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1480,1481,1482,
&end
#
# 30 TYR HD 29 LYS HA 4.50 (# 2832:20 Unique 2.96, 5.28 A)
&rst
ixpk= 2832, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 490,
&end
#
# 59 ILE HN 58 GLU HA 4.50 (# 2833:20 Unique 2.68, 3.49 A)
&rst
ixpk= 2833, nxpk= 20, iat= 954, 941, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HN 58 GLU HA 5.50 (# 2834:20 Unique 2.18, 2.63 A)
&rst
ixpk= 2834, nxpk= 20, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TYR HN 58 GLU HA 7.00 (# 2835:20 Unique 2.57, 4.94 A)
&rst
ixpk= 2835, nxpk= 20, iat=1108, 941, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2836 47 ASN HA 5.50 (# 2836:20 Single Ambig)
&rst
ixpk= 2836, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 767, 768, 820, 821,
&end
#
# 0 AMB 20-2:2838 61 LEU HA 4.50 (# 2838:20 Single Ambig)
&rst
ixpk= 2838, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 20-2:2839 61 LEU HA 5.50 (# 2839:20 Single Ambig)
&rst
ixpk= 2839, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1009, 977, 978, 979,
&end
#
# 60 ALA HN 61 LEU HA 7.00 (# 2841:20 Unique 3.78, 4.42 A)
&rst
ixpk= 2841, nxpk= 20, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 135 LEU HN 134 ILE QD1 5.50 (# 2845:20 Unique 3.01, 5.06 A)
&rst
ixpk= 2845, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2155,2156,2157,
&end
#
# 67 VAL HN 59 ILE QD1 7.00 (# 2846:20 Unique 2.64, 4.58 A)
&rst
ixpk= 2846, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2847 59 ILE QD1 5.50 (# 2847:20 Single Ambig)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1108,1469,1062,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2848 59 ILE QD1 5.50 (# 2848:20 Single Ambig)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 939,1414,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:2849 0 AMB 20-1:2849 5.50 (# 2849:20 Double Ambig)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2195,2022,
igr2=2155,2156,2157,2078,2079,2080,
&end
#
# 0 AMB 20-2:2850 0 AMB 20-1:2850 7.00 (# 2850:20 Double Ambig)
&rst
ixpk= 2850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1618,1486,
igr2=2078,2079,2080,2155,2156,2157,
&end
#
# 0 AMB 20-2:2851 80 ILE QD1 5.50 (# 2851:20 Single Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 237, 266,
igr2=1314,1315,1316,
&end
#
# 78 TYR HA 80 ILE QD1 5.50 (# 2852:20 Unique 3.87, 5.57 A)
&rst
ixpk= 2852, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1314,1315,1316,
&end
#
# 68 VAL HA 59 ILE QD1 5.50 (# 2853:20 Unique 2.09, 3.98 A)
&rst
ixpk= 2853, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 124 ALA HA 128 ILE QD1 5.50 (# 2854:20 Unique 3.67, 5.31 A)
&rst
ixpk= 2854, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2078,2079,2080,
&end
#
# 0 AMB 20-2:2856 0 AMB 20-1:2856 5.50 (# 2856:20 Double Ambig)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1549,1550,1549,1550,
igr2=2078,2079,2080,2155,2156,2157,
&end
#
# 0 AMB 20-2:2857 113 ALA HA 5.50 (# 2857:20 Single Ambig)
&rst
ixpk= 2857, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1910,1911,1756,1757,
&end
#
# 0 AMB 20-2:2858 113 ALA HA 5.50 (# 2858:20 Single Ambig)
&rst
ixpk= 2858, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1901,1747,
&end
#
# 17 LEU HN 16 ILE QD1 7.00 (# 2859:20 Unique 5.44, 6.04 A)
&rst
ixpk= 2859, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 258, 259, 260,
&end
#
# 125 VAL HA 16 ILE QD1 5.50 (# 2861:20 Unique 4.40, 5.50 A)
&rst
ixpk= 2861, nxpk= 20, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:2862 16 ILE QD1 4.50 (# 2862:20 Single Ambig)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1560,1561,2026,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:2863 15 ALA HA 5.50 (# 2863:20 Single Ambig)
&rst
ixpk= 2863, nxpk= 20, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 461, 462, 220, 221, 220, 221,1311,1312, 217, 218,
201,
&end
#
# 3 ALA HN 3 ALA HA 5.50 (# 2864:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2864, nxpk= 20, iat= 36, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HA 19 LEU HA 4.50 (# 2865:20 Unique 2.00, 2.42 A)
&rst
ixpk= 2865, nxpk= 20, iat= 380, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2866 0 AMB 20-1:2866 5.50 (# 2866:20 Double Ambig)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 421, 378,
igr2= 304, 266,
&end
#
# 19 LEU HN 19 LEU HA 4.50 (# 2867:20 Unique 2.89, 2.92 A)
&rst
ixpk= 2867, nxpk= 20, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 ASN HN 73 ILE QD1 7.00 (# 2868:20 Unique 4.95, 6.79 A)
&rst
ixpk= 2868, nxpk= 20, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:2869 73 ILE QD1 5.50 (# 2869:20 Single Ambig)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1777,1254,1258,
igr2=1186,1187,1188,
&end
#
# 138 ASP HB- 139 PRO HD- 5.50 (# 2870:20 Unique 2.50, 4.19 A)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2210,2211,
igr2=2219,2220,
&end
#
# 0 AMB 20-2:2871 0 AMB 20-1:2871 4.50 (# 2871:20 Double Ambig)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2210,2211,2225,2226,
igr2=2219,2220,2219,2220,
&end
#
# 5 ILE QG2 8 PRO HD+ 5.50 (# 2872:20 Unique 1.97, 3.43 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 71, 72, 73,
igr2= 119, 120,
&end
#
# 5 ILE QG2 8 PRO HD- 5.50 (# 2873:20 Unique 1.97, 3.43 A)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 71, 72, 73,
igr2= 119, 120,
&end
#
# 35 TYR HD 36 PRO HD- 5.50 (# 2874:20 Unique 3.47, 5.59 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 561, 570,
igr2= 575, 576,
&end
#
# 35 TYR HD 36 PRO HD+ 5.50 (# 2875:20 Unique 3.47, 5.59 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 561, 570,
igr2= 575, 576,
&end
#
# 37 SER HN 36 PRO HD- 5.50 (# 2876:20 Unique 2.26, 3.06 A)
&rst
ixpk= 2876, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 575, 576,
&end
#
# 37 SER HN 36 PRO HD+ 5.50 (# 2877:20 Unique 2.26, 3.06 A)
&rst
ixpk= 2877, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 575, 576,
&end
#
# 28 ALA MB 25 ARG HD+ 4.50 (# 2878:20 Unique 2.47, 4.50 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447,
igr2= 388, 389,
&end
#
# 65 LEU HN 0 AMB 20-1:2879 5.50 (# 2879:20 Single Ambig)
&rst
ixpk= 2879, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:2880 81 GLY HA- 4.50 (# 2880:20 Single Ambig)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 217, 218,1454,1455,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:2881 81 GLY HA- 4.50 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 217, 218, 223, 224, 223, 224, 220, 221,
igr2=1322,1323,
&end
#
# 129 VAL MGX 132 GLY HA- 4.50 (# 2882:20 Unique 2.07, 5.55 A)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2090,2091,2092,2094,2095,2096,
igr2=2121,2122,
&end
#
# 13 VAL HB 132 GLY HA- 5.50 (# 2883:20 Unique 1.99, 4.43 A)
&rst
ixpk= 2883, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2121,2122,
&end
#
# 19 LEU HB- 23 GLY HA+ 5.50 (# 2884:20 Unique 2.62, 4.81 A)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 306, 307,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:2885 0 AMB 20-1:2885 7.00 (# 2885:20 Double Ambig)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 325, 326, 370, 371,
igr2= 361, 362, 361, 362,
&end
#
# 19 LEU HB- 23 GLY HA- 5.50 (# 2886:20 Unique 2.62, 4.81 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 306, 307,
igr2= 361, 362,
&end
#
# 11 TYR HE 132 GLY HA- 5.50 (# 2887:20 Unique 2.74,10.19 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 172, 177,
igr2=2121,2122,
&end
#
# 0 AMB 20-2:2888 132 GLY HA- 5.50 (# 2888:20 Single Ambig)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2119,2126,
igr2=2121,2122,
&end
#
# 0 AMB 20-2:2889 132 GLY HA- 5.50 (# 2889:20 Single Ambig)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 183,2100,
igr2=2121,2122,
&end
#
# 0 AMB 20-2:2890 0 AMB 20-1:2890 5.50 (# 2890:20 Double Ambig)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2298,1983,1987,
igr2=2325,2326, 425, 426,
&end
#
# 28 ALA HN 27 PHE HB+ 5.50 (# 2891:20 Unique 1.83, 3.43 A)
&rst
ixpk= 2891, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 425, 426,
&end
#
# 145 ARG HN 145 ARG HD- 5.50 (# 2892:20 Unique 2.16, 4.24 A)
&rst
ixpk= 2892, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2325,2326,
&end
#
# 27 PHE HN 27 PHE HB+ 5.50 (# 2893:20 Unique 2.14, 2.70 A)
&rst
ixpk= 2893, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 425, 426,
&end
#
# 18 ILE HN 27 PHE HB+ 5.50 (# 2894:20 Unique 1.90, 3.52 A)
&rst
ixpk= 2894, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 425, 426,
&end
#
# 27 PHE HN 27 PHE HB- 5.50 (# 2895:20 Unique 2.14, 2.70 A)
&rst
ixpk= 2895, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 425, 426,
&end
#
# 18 ILE HN 27 PHE HB- 7.00 (# 2896:20 Unique 1.90, 3.52 A)
&rst
ixpk= 2896, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 425, 426,
&end
#
# 144 HIS HN 145 ARG HD+ 7.00 (# 2897:20 Unique 3.56, 6.24 A)
&rst
ixpk= 2897, nxpk= 20, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2325,2326,
&end
#
# 145 ARG HN 145 ARG HD+ 5.50 (# 2898:20 Unique 2.16, 4.24 A)
&rst
ixpk= 2898, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2325,2326,
&end
#
# 24 ASP HN 23 GLY HA- 4.50 (# 2899:20 Unique 2.59, 3.23 A)
&rst
ixpk= 2899, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:2900 0 AMB 20-1:2900 4.50 (# 2900:20 Double Ambig)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 321,1002,
igr2= 306, 307,1047,1048,
&end
#
# 49 PHE HD 23 GLY HA+ 5.50 (# 2901:20 Unique 3.04, 6.10 A)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 807,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:2902 0 AMB 20-1:2902 4.50 (# 2902:20 Double Ambig)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 347, 378,
igr2= 361, 362, 361, 362,
&end
#
# 49 PHE HD 23 GLY HA- 5.50 (# 2903:20 Unique 3.04, 6.10 A)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 807,
igr2= 361, 362,
&end
#
# 78 TYR HE 19 LEU HB+ 5.50 (# 2904:20 Unique 1.96, 5.60 A)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1274,1279,
igr2= 306, 307,
&end
#
# 19 LEU HN 19 LEU HB+ 5.50 (# 2905:20 Unique 2.26, 3.23 A)
&rst
ixpk= 2905, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 20 ASP HN 19 LEU HB- 4.50 (# 2906:20 Unique 2.04, 2.96 A)
&rst
ixpk= 2906, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 306, 307,
&end
#
# 19 LEU HN 19 LEU HB- 5.50 (# 2907:20 Unique 2.26, 3.23 A)
&rst
ixpk= 2907, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 0 AMB 20-2:2908 19 LEU HB- 5.50 (# 2908:20 Single Ambig)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 361, 362,1227,1228,1227,1228,
igr2= 306, 307,
&end
#
# 19 LEU HA 19 LEU HB- 4.50 (# 2909:20 Unique 2.20, 2.63 A)
&rst
ixpk= 2909, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 306, 307,
&end
#
# 19 LEU HA 19 LEU HB+ 5.50 (# 2910:20 Unique 2.20, 2.63 A)
&rst
ixpk= 2910, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 306, 307,
&end
#
# 0 AMB 20-2:2911 0 AMB 20-1:2911 4.50 (# 2911:20 Double Ambig)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 361, 362,1227,1228,1227,1228,
igr2= 306, 307, 306, 307, 306, 307,
&end
#
# 0 AMB 20-2:2912 0 AMB 20-1:2912 3.50 (# 2912:20 Double Ambig)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2319,2320,2319,2320,
igr2=2325,2326,2325,2326,
&end
#
# 129 VAL MGX 132 GLY HA+ 5.50 (# 2913:20 Unique 2.07, 5.55 A)
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2090,2091,2092,2094,2095,2096,
igr2=2121,2122,
&end
#
# 65 LEU HA 65 LEU HB+ 4.50 (# 2914:20 Unique 2.27, 2.67 A)
&rst
ixpk= 2914, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1047,1048,
&end
#
# 145 ARG HA 145 ARG HD+ 5.50 (# 2915:20 Unique 3.48, 4.43 A)
&rst
ixpk= 2915, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2325,2326,
&end
#
# 145 ARG HA 145 ARG HD- 4.50 (# 2916:20 Unique 3.48, 4.43 A)
&rst
ixpk= 2916, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2325,2326,
&end
#
# 135 LEU HG 0 AMB 20-1:2917 5.50 (# 2917:20 Single Ambig)
&rst
ixpk= 2917, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2104,2105,2104,2105,
&end
#
# 114 LEU MDY 27 PHE HB- 4.50 (# 2918:20 Unique 2.58, 5.82 A)
&rst
ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1857,1858,1859,1861,1862,1863,
igr2= 425, 426,
&end
#
# 18 ILE QG2 27 PHE HB- 7.00 (# 2919:20 Unique 3.31, 4.59 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 289, 290, 291,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:2920 0 AMB 20-1:2920 4.50 (# 2920:20 Double Ambig)
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1869,2144, 380,
igr2= 406, 407,2165,2166,
&end
#
# 19 LEU HA 26 LEU HB- 5.50 (# 2921:20 Unique 2.37, 4.29 A)
&rst
ixpk= 2921, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 406, 407,
&end
#
# 19 LEU HA 26 LEU HB+ 5.50 (# 2922:20 Unique 2.37, 4.29 A)
&rst
ixpk= 2922, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 406, 407,
&end
#
# 0 AMB 20-2:2923 69 TYR HB- 5.50 (# 2923:20 Single Ambig)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1112,1113,
&end
#
# 54 ARG HN 0 AMB 20-1:2925 5.50 (# 2925:20 Single Ambig)
&rst
ixpk= 2925, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 888, 889, 888, 889,
&end
#
# 50 ASN HD2- 0 AMB 20-1:2926 5.50 (# 2926:20 Single Ambig)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 820, 821,
igr2= 888, 889, 888, 889,
&end
#
# 26 LEU HG 24 ASP HB- 5.50 (# 2928:20 Unique 2.26, 3.77 A)
&rst
ixpk= 2928, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 95 ASN HN 94 LEU HB+ 4.50 (# 2929:20 Unique 1.92, 3.20 A)
&rst
ixpk= 2929, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 91 MET HN 90 LEU HB+ 5.50 (# 2930:20 Unique 2.45, 3.33 A)
&rst
ixpk= 2930, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1454,1455,
&end
#
# 90 LEU HN 90 LEU HB+ 4.50 (# 2931:20 Unique 2.25, 2.98 A)
&rst
ixpk= 2931, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1454,1455,
&end
#
# 90 LEU HN 90 LEU HB- 5.50 (# 2932:20 Unique 2.25, 2.98 A)
&rst
ixpk= 2932, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1454,1455,
&end
#
# 91 MET HN 90 LEU HB- 5.50 (# 2933:20 Unique 2.45, 3.33 A)
&rst
ixpk= 2933, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1454,1455,
&end
#
# 102 SER HN 101 LEU HB- 4.50 (# 2934:20 Unique 2.76, 3.78 A)
&rst
ixpk= 2934, nxpk= 20, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1622,1623,
&end
#
# 20 ASP HN 24 ASP HB- 5.50 (# 2935:20 Unique 2.57, 3.48 A)
&rst
ixpk= 2935, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 20 ASP HN 24 ASP HB+ 5.50 (# 2936:20 Unique 2.57, 3.48 A)
&rst
ixpk= 2936, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 23 GLY HN 24 ASP HB+ 5.50 (# 2937:20 Unique 3.22, 4.37 A)
&rst
ixpk= 2937, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 23 GLY HN 24 ASP HB- 7.00 (# 2938:20 Unique 3.22, 4.37 A)
&rst
ixpk= 2938, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 370, 371,
&end
#
# 86 ASN HB- 88 LEU HB- 5.50 (# 2939:20 Unique 3.15, 5.50 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1389,1390,
igr2=1418,1419,
&end
#
# 14 LYS HN 0 AMB 20-1:2940 5.50 (# 2940:20 Single Ambig)
&rst
ixpk= 2940, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:2941 0 AMB 20-1:2941 5.50 (# 2941:20 Double Ambig)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1327,1076,
igr2= 226, 227, 226, 227, 226, 227,
&end
#
# 56 ASP HN 56 ASP HB- 5.50 (# 2942:20 Unique 2.18, 2.96 A)
&rst
ixpk= 2942, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 56 ASP HN 56 ASP HB+ 4.50 (# 2943:20 Unique 2.18, 2.96 A)
&rst
ixpk= 2943, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 920, 921,
&end
#
# 57 SER HN 56 ASP HB+ 5.50 (# 2944:20 Unique 2.60, 4.17 A)
&rst
ixpk= 2944, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 34 THR HB 0 AMB 20-1:2945 5.50 (# 2945:20 Single Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:2946 0 AMB 20-1:2946 4.50 (# 2946:20 Double Ambig)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1331,1332,1331,1332,1322,1323,
igr2= 226, 227, 226, 227, 226, 227,
&end
#
# 14 LYS HA 0 AMB 20-1:2947 5.50 (# 2947:20 Single Ambig)
&rst
ixpk= 2947, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 226, 227, 226, 227,
&end
#
# 35 TYR HE 0 AMB 20-1:2948 5.50 (# 2948:20 Single Ambig)
&rst
ixpk= 2948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 563, 568,
igr2= 226, 227, 226, 227,
&end
#
# 95 ASN HA 98 PHE HB- 5.50 (# 2950:20 Unique 2.18, 3.15 A)
&rst
ixpk= 2950, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1579,1580,
&end
#
# 0 AMB 20-2:2951 0 AMB 20-1:2951 4.50 (# 2951:20 Double Ambig)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 475, 529,
igr2= 477, 478, 477, 478,
&end
#
# 128 ILE HA 128 ILE HB 5.50 (# 2952:20 Unique 2.97, 3.00 A)
&rst
ixpk= 2952, nxpk= 20, iat=2067,2069, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 VAL HA 128 ILE HB 5.50 (# 2953:20 Unique 1.98, 2.37 A)
&rst
ixpk= 2953, nxpk= 20, iat=2024,2069, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HA 80 ILE HB 5.50 (# 2954:20 Unique 2.98, 3.01 A)
&rst
ixpk= 2954, nxpk= 20, iat=1303,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2955 0 AMB 20-1:2955 4.50 (# 2955:20 Double Ambig)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1179,1180,1181,1208,1209,
igr2=1196,1197,1196,1197,
&end
#
# 77 PHE HD 98 PHE HB+ 4.50 (# 2956:20 Unique 2.96, 5.83 A)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1252,1260,
igr2=1579,1580,
&end
#
# 35 TYR HA 35 TYR HB- 4.50 (# 2957:20 Unique 2.35, 2.75 A)
&rst
ixpk= 2957, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 557, 558,
&end
#
# 0 AMB 20-2:2958 5 ILE HB 5.50 (# 2958:20 Single Ambig)
&rst
ixpk= 2958, nxpk= 20, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 48, 86, 38, 128,
&end
#
# 134 ILE HA 134 ILE HB 4.50 (# 2959:20 Unique 2.28, 2.42 A)
&rst
ixpk= 2959, nxpk= 20, iat=2144,2146, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2960 134 ILE HB 7.00 (# 2960:20 Single Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1,2146, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2067,2128,
&end
#
# 20 ASP HB+ 21 ASN HB+ 7.00 (# 2961:20 Unique 4.05, 5.75 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 325, 326,
igr2= 337, 338,
&end
#
# 121 LEU HA 0 AMB 20-1:2962 5.50 (# 2962:20 Single Ambig)
&rst
ixpk= 2962, nxpk= 20, iat=1956, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1977,1978,1977,1978,
&end
#
# 0 AMB 20-2:2963 0 AMB 20-1:2963 4.50 (# 2963:20 Double Ambig)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 78, 79, 80, 71, 72, 73, 152, 153, 154, 156,
157, 158,
igr2=1353,1354,1353,1354,1353,1354,
&end
#
# 0 AMB 20-2:2964 0 AMB 20-1:2964 5.50 (# 2964:20 Double Ambig)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 152, 153, 154, 156, 157, 158, 78, 79, 80, 71,
72, 73,2132,2133,2134,2136,2137,2138,
igr2= 166, 167,1353,1354, 166, 167,
&end
#
# 0 AMB 20-2:2965 11 TYR HB- 4.50 (# 2965:20 Single Ambig)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 152, 153, 154, 156, 157, 158,2132,2133,2134,2136,
2137,2138,
igr2= 166, 167,
&end
#
# 45 GLU HN 44 PHE HB+ 5.50 (# 2966:20 Unique 2.27, 3.29 A)
&rst
ixpk= 2966, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 705, 706,
&end
#
# 0 AMB 20-2:2967 0 AMB 20-1:2967 4.50 (# 2967:20 Double Ambig)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 654, 543,
igr2= 557, 558, 557, 558,
&end
#
# 35 TYR HA 35 TYR HB+ 4.50 (# 2968:20 Unique 2.35, 2.75 A)
&rst
ixpk= 2968, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 557, 558,
&end
#
# 0 AMB 20-2:2969 0 AMB 20-1:2969 5.50 (# 2969:20 Double Ambig)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 723, 388, 389, 388, 389,
igr2= 728, 729, 728, 729, 728, 729,
&end
#
# 0 AMB 20-2:2970 0 AMB 20-1:2970 4.50 (# 2970:20 Double Ambig)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 273, 274, 275, 277, 278, 279, 311, 312, 313, 315,
316, 317, 311, 312, 313, 315, 316, 317,
igr2= 728, 729, 728, 729, 728, 729,
&end
#
# 0 AMB 20-2:2971 45 GLU HG- 4.50 (# 2971:20 Single Ambig)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 725, 726, 656, 657,
igr2= 728, 729,
&end
#
# 0 AMB 20-2:2972 45 GLU HG- 5.50 (# 2972:20 Single Ambig)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 723, 388, 389, 388, 389,
igr2= 728, 729,
&end
#
# 0 AMB 20-2:2973 0 AMB 20-1:2973 5.50 (# 2973:20 Double Ambig)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1977,1978,1977,1978,1977,1978,
igr2=1939,1940,1939,1940,1939,1940,
&end
#
# 0 AMB 20-2:2974 63 GLU HG- 5.50 (# 2974:20 Single Ambig)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 711, 715, 767, 768,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:2975 0 AMB 20-1:2975 4.50 (# 2975:20 Double Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 711, 715, 767, 768,
igr2=1028,1029,1028,1029,
&end
#
# 64 GLY HN 63 GLU HG- 5.50 (# 2977:20 Unique 4.63, 5.27 A)
&rst
ixpk= 2977, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1028,1029,
&end
#
# 84 TYR HD 0 AMB 20-1:2978 5.50 (# 2978:20 Single Ambig)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1357,1366,
igr2=1377,1378,1377,1378,
&end
#
# 117 ASN HD2- 116 GLU HG+ 7.00 (# 2979:20 Unique 2.43, 5.31 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1910,1911,
igr2=1893,1894,
&end
#
# 69 TYR HD 58 GLU HG+ 7.00 (# 2980:20 Unique 4.81, 7.45 A)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1116,1125,
igr2= 946, 947,
&end
#
# 69 TYR HD 58 GLU HG- 7.00 (# 2981:20 Unique 4.81, 7.45 A)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1116,1125,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:2982 0 AMB 20-1:2982 4.50 (# 2982:20 Double Ambig)
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 941, 932, 933, 932, 933,
igr2= 946, 947, 946, 947, 946, 947,
&end
#
# 0 AMB 20-2:2983 0 AMB 20-1:2983 4.50 (# 2983:20 Double Ambig)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 725, 726, 656, 657,
igr2= 728, 729, 728, 729,
&end
#
# 0 AMB 20-2:2984 0 AMB 20-1:2984 4.50 (# 2984:20 Double Ambig)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1874,1818,1819,
igr2=1893,1894,1893,1894,
&end
#
# 116 GLU HB- 116 GLU HG+ 2.80 (# 2985:20 Unique 2.26, 2.72 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1890,1891,
igr2=1893,1894,
&end
#
# 27 PHE HE 29 LYS HB+ 4.50 (# 2986:20 Unique 1.99, 3.91 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 431, 435,
igr2= 455, 456,
&end
#
# 27 PHE HE 29 LYS HB- 4.50 (# 2987:20 Unique 1.99, 3.91 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 431, 435,
igr2= 455, 456,
&end
#
# 124 ALA HA 127 GLU HG- 5.50 (# 2988:20 Unique 2.07, 4.27 A)
&rst
ixpk= 2988, nxpk= 20, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2057,2058,
&end
#
# 0 AMB 20-2:2989 127 GLU HG- 4.50 (# 2989:20 Single Ambig)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2052,2067,
igr2=2057,2058,
&end
#
# 127 GLU HA 127 GLU HG+ 5.50 (# 2990:20 Unique 2.06, 3.09 A)
&rst
ixpk= 2990, nxpk= 20, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2057,2058,
&end
#
# 110 GLU HA 110 GLU HG- 4.50 (# 2991:20 Unique 3.54, 3.74 A)
&rst
ixpk= 2991, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1784,1785,
&end
#
# 112 ARG HN 110 GLU HG+ 4.50 (# 2992:20 Unique 1.72, 2.78 A)
&rst
ixpk= 2992, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1784,1785,
&end
#
# 111 LYS HN 110 GLU HG+ 7.00 (# 2993:20 Unique 1.99, 3.31 A)
&rst
ixpk= 2993, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1784,1785,
&end
#
# 111 LYS HN 110 GLU HG- 5.50 (# 2994:20 Unique 1.99, 3.31 A)
&rst
ixpk= 2994, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1784,1785,
&end
#
# 0 AMB 20-2:2995 0 AMB 20-1:2995 5.50 (# 2995:20 Double Ambig)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1002,1607,1108,
igr2=1080,1655,1656,
&end
#
# 0 AMB 20-2:2996 67 VAL HB 5.50 (# 2996:20 Single Ambig)
&rst
ixpk= 2996, nxpk= 20, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1320, 973,
&end
#
# 104 MET HN 103 GLN HG+ 4.50 (# 2997:20 Unique 3.43, 4.44 A)
&rst
ixpk= 2997, nxpk= 20, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1655,1656,
&end
#
# 103 GLN HE2- 103 GLN HG- 5.50 (# 2998:20 Unique 2.10, 3.14 A)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1660,1661,
igr2=1655,1656,
&end
#
# 68 VAL HN 79 VAL HB 5.50 (# 2999:20 Unique 2.49, 3.37 A)
&rst
ixpk= 2999, nxpk= 20, iat=1092,1289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 THR HN 51 LYS HB- 5.50 (# 3000:20 Unique 1.96, 3.15 A)
&rst
ixpk= 3000, nxpk= 20, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 829, 830,
&end
#
# 66 THR HA 67 VAL HB 7.00 (# 3001:20 Unique 4.40, 4.66 A)
&rst
ixpk= 3001, nxpk= 20, iat=1064,1080, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:3002 103 GLN HG- 4.50 (# 3002:20 Single Ambig)
&rst
ixpk= 3002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1641,1642,1641,1642,1639,
igr2=1655,1656,
&end
#
# 78 TYR HA 79 VAL HB 5.50 (# 3003:20 Unique 4.06, 4.43 A)
&rst
ixpk= 3003, nxpk= 20, iat=1266,1289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ILE HA 51 LYS HB+ 5.50 (# 3004:20 Unique 2.36, 3.81 A)
&rst
ixpk= 3004, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 829, 830,
&end
#
# 26 LEU HN 25 ARG HB- 5.50 (# 3005:20 Unique 3.81, 4.34 A)
&rst
ixpk= 3005, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 382, 383,
&end
#
# 26 LEU HN 25 ARG HB+ 5.50 (# 3008:20 Unique 3.81, 4.34 A)
&rst
ixpk= 3008, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 382, 383,
&end
#
# 0 AMB 20-2:3009 46 LYS HB- 5.50 (# 3009:20 Single Ambig)
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 811, 791,
igr2= 740, 741,
&end
#
# 105 LEU HN 104 MET HG+ 4.50 (# 3011:20 Unique 1.87, 3.09 A)
&rst
ixpk= 3011, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:3012 0 AMB 20-1:3012 5.50 (# 3012:20 Double Ambig)
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1433,1648,
igr2=1440,1441,1672,1673,
&end
#
# 105 LEU HN 104 MET HG- 5.50 (# 3013:20 Unique 1.87, 3.09 A)
&rst
ixpk= 3013, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:3014 104 MET HG- 4.50 (# 3014:20 Single Ambig)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1648,1701,
igr2=1672,1673,
&end
#
# 95 ASN HD2- 0 AMB 20-1:3015 5.50 (# 3015:20 Single Ambig)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1540,1541,
igr2=1473,1474,1473,1474,
&end
#
# 119 GLU HN 118 MET HB- 4.50 (# 3016:20 Unique 2.18, 3.06 A)
&rst
ixpk= 3016, nxpk= 20, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1919,1920,
&end
#
# 3 ALA HN 2 GLU HB- 5.50 (# 3017:20 Unique 2.19, 3.62 A)
&rst
ixpk= 3017, nxpk= 20, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:3018 112 ARG HB- 5.50 (# 3018:20 Single Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1848,1867,
igr2=1818,1819,
&end
#
# 0 AMB 20-2:3019 29 LYS HD- 4.50 (# 3019:20 Single Ambig)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 502, 511, 431, 435,
igr2= 461, 462,
&end
#
# 117 ASN HD2+ 109 VAL HB 7.00 (# 3020:20 Unique 3.74, 5.72 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1910,1911,
&end
#
# 129 VAL HN 125 VAL HA 5.50 (# 3022:20 Unique 2.98, 3.64 A)
&rst
ixpk= 3022, nxpk= 20, iat=2084,2024, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3023 125 VAL HA 4.50 (# 3023:20 Single Ambig)
&rst
ixpk= 3023, nxpk= 20, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2065,2050,
&end
#
# 126 ASP HN 125 VAL HA 5.50 (# 3024:20 Unique 3.45, 3.57 A)
&rst
ixpk= 3024, nxpk= 20, iat=2038,2024, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 ILE HB 125 VAL HA 4.50 (# 3025:20 Unique 1.98, 2.37 A)
&rst
ixpk= 3025, nxpk= 20, iat=2069,2024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 TYR HN 26 LEU MDX 5.50 (# 3026:20 Unique 3.91, 6.70 A)
&rst
ixpk= 3026, nxpk= 20, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 18 ILE HN 18 ILE HG1- 5.50 (# 3027:20 Unique 2.30, 3.36 A)
&rst
ixpk= 3027, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 293, 294,
&end
#
# 111 LYS HN 26 LEU MDX 5.50 (# 3028:20 Unique 4.64, 6.26 A)
&rst
ixpk= 3028, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 18 ILE HN 18 ILE HG1+ 5.50 (# 3029:20 Unique 2.30, 3.36 A)
&rst
ixpk= 3029, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 293, 294,
&end
#
# 130 ASP HN 135 LEU HG 5.50 (# 3030:20 Unique 3.18, 4.03 A)
&rst
ixpk= 3030, nxpk= 20, iat=2100,2168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3031 65 LEU MDY 4.50 (# 3031:20 Single Ambig)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1002,1062,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3032 121 LEU MDX 5.50 (# 3032:20 Single Ambig)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1993, 441,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 136 GLU HN 135 LEU HG 5.50 (# 3033:20 Unique 2.05, 4.17 A)
&rst
ixpk= 3033, nxpk= 20, iat=2180,2168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HA 18 ILE HG1- 5.50 (# 3034:20 Unique 2.46, 3.06 A)
&rst
ixpk= 3034, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 293, 294,
&end
#
# 93 VAL HB 93 VAL HA 5.50 (# 3035:20 Unique 2.71, 2.93 A)
&rst
ixpk= 3035, nxpk= 20, iat=1500,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LEU HN 0 AMB 20-1:3036 5.50 (# 3036:20 Single Ambig)
&rst
ixpk= 3036, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 385, 386,1799,1800,
&end
#
# 25 ARG HE 25 ARG HG- 5.50 (# 3037:20 Unique 2.08, 3.00 A)
&rst
ixpk= 3037, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 385, 386,
&end
#
# 0 AMB 20-2:3038 0 AMB 20-1:3038 4.50 (# 3038:20 Double Ambig)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 637, 441, 359,
igr2= 622, 623, 385, 386,
&end
#
# 61 LEU HN 0 AMB 20-1:3039 7.00 (# 3039:20 Single Ambig)
&rst
ixpk= 3039, nxpk= 20, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 832, 833, 832, 833,
&end
#
# 25 ARG HE 25 ARG HG+ 5.50 (# 3040:20 Unique 2.08, 3.00 A)
&rst
ixpk= 3040, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 385, 386,
&end
#
# 52 THR HN 0 AMB 20-1:3041 5.50 (# 3041:20 Single Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 832, 833, 832, 833,
&end
#
# 0 AMB 20-2:3042 0 AMB 20-1:3042 4.50 (# 3042:20 Double Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 380,1322,1323,
igr2= 385, 386, 220, 221,
&end
#
# 0 AMB 20-2:3043 0 AMB 20-1:3043 5.50 (# 3043:20 Double Ambig)
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 519, 520, 166, 167,
igr2= 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:3044 25 ARG HG- 5.50 (# 3044:20 Single Ambig)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 368, 404, 423,
igr2= 385, 386,
&end
#
# 111 LYS HA 111 LYS HG- 4.50 (# 3045:20 Unique 2.65, 3.60 A)
&rst
ixpk= 3045, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1799,1800,
&end
#
# 105 LEU HA 0 AMB 20-1:3046 5.50 (# 3046:20 Single Ambig)
&rst
ixpk= 3046, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:3047 0 AMB 20-1:3047 5.50 (# 3047:20 Double Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=1641,1642,1641,1642,1641,1642,1639,
igr2=1732,1733,1732,1733,1732,1733,1732,1733,
&end
#
# 106 ARG HA 0 AMB 20-1:3048 5.50 (# 3048:20 Single Ambig)
&rst
ixpk= 3048, nxpk= 20, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:3049 60 ALA MB 5.50 (# 3049:20 Single Ambig)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1064, 930,
igr2= 977, 978, 979,
&end
#
# 0 AMB 20-2:3050 60 ALA MB 5.50 (# 3050:20 Single Ambig)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 946, 947, 946, 947, 943, 944,1403,1404,1516,1517,
igr2= 977, 978, 979,
&end
#
# 51 LYS HB+ 60 ALA MB 5.50 (# 3051:20 Unique 2.00, 4.36 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 829, 830,
igr2= 977, 978, 979,
&end
#
# 98 PHE HD 109 VAL MGY 5.50 (# 3052:20 Unique 1.99, 6.51 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1583,1591,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 78 TYR HE 19 LEU MDY 5.50 (# 3053:20 Unique 1.99, 5.41 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1274,1279,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 49 PHE HE 49 PHE HA 7.00 (# 3055:20 Unique 4.61, 5.29 A)
&rst
ixpk= 3055, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 801, 805,
&end
#
# 57 SER HN 55 THR HA 5.50 (# 3056:20 Unique 3.87, 4.26 A)
&rst
ixpk= 3056, nxpk= 20, iat= 928, 904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 PHE HE 122 PHE HA 5.50 (# 3057:20 Unique 2.20, 4.63 A)
&rst
ixpk= 3057, nxpk= 20, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 431, 435,
&end
#
# 47 ASN HD2+ 44 PHE HA 4.50 (# 3058:20 Unique 1.93, 2.68 A)
&rst
ixpk= 3058, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 767, 768,
&end
#
# 135 LEU HN 133 VAL MGY 5.50 (# 3059:20 Unique 3.55, 6.43 A)
&rst
ixpk= 3059, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 98 PHE HD 109 VAL MGX 5.50 (# 3060:20 Unique 1.99, 6.51 A)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1583,1591,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL MGX 113 ALA MB 4.50 (# 3061:20 Unique 3.09, 5.84 A)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1842,1843,1844,
&end
#
# 18 ILE HA 18 ILE QG2 2.80 (# 3063:20 Unique 2.18, 3.09 A)
&rst
ixpk= 3063, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:3064 18 ILE QG2 7.00 (# 3064:20 Single Ambig)
&rst
ixpk= 3064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 404, 423, 335,
igr2= 289, 290, 291,
&end
#
# 27 PHE HB+ 18 ILE QG2 5.50 (# 3065:20 Unique 3.31, 4.59 A)
&rst
ixpk= 3065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 425, 426,
igr2= 289, 290, 291,
&end
#
# 49 PHE HA 48 ILE QG2 5.50 (# 3066:20 Unique 3.14, 4.21 A)
&rst
ixpk= 3066, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 67 VAL HB 48 ILE QG2 7.00 (# 3067:20 Unique 3.46, 6.11 A)
&rst
ixpk= 3067, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:3068 48 ILE QG2 5.50 (# 3068:20 Single Ambig)
&rst
ixpk= 3068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 268, 269, 271,1009,
igr2= 778, 779, 780,
&end
#
# 129 VAL MGX 128 ILE QG2 5.50 (# 3069:20 Unique 1.99, 5.40 A)
&rst
ixpk= 3069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2090,2091,2092,2094,2095,2096,
igr2=2071,2072,2073,
&end
#
# 78 TYR HN 16 ILE QG2 4.50 (# 3071:20 Unique 3.05, 4.90 A)
&rst
ixpk= 3071, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:3072 16 ILE QG2 7.00 (# 3072:20 Single Ambig)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1301,1575,1556,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:3073 134 ILE QG2 5.50 (# 3073:20 Single Ambig)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2195,1512,
igr2=2148,2149,2150,
&end
#
# 93 VAL HN 134 ILE QG2 5.50 (# 3074:20 Unique 3.56, 5.41 A)
&rst
ixpk= 3074, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:3075 59 ILE QG2 7.00 (# 3075:20 Single Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 920, 921,1476,1477,1476,1477,
igr2= 960, 961, 962,
&end
#
# 48 ILE QD1 0 AMB 20-1:3076 5.50 (# 3076:20 Single Ambig)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 785, 786, 787,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:3078 0 AMB 20-1:3078 4.50 (# 3078:20 Double Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,
igr2=2042,2043,2042,2043,2042,2043,
&end
#
# 0 AMB 20-2:3079 0 AMB 20-1:3079 2.80 (# 3079:20 Double Ambig)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
igr2=1824,1825,1824,1825,1824,1825,
&end
#
# 0 AMB 20-2:3080 0 AMB 20-1:3080 5.50 (# 3080:20 Double Ambig)
&rst
ixpk= 3080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2144,2199,2200,
igr2=2165,2166,2165,2166,
&end
#
# 0 AMB 20-2:3081 0 AMB 20-1:3081 5.50 (# 3081:20 Double Ambig)
&rst
ixpk= 3081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1910,1911,1886,
igr2=1852,1853,1852,1853,
&end
#
# 31 TYR HE 16 ILE HB 4.50 (# 3082:20 Unique 2.81, 5.05 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 504, 509,
&end
#
# 115 LEU HA 114 LEU HB+ 5.50 (# 3083:20 Unique 3.84, 4.89 A)
&rst
ixpk= 3083, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1852,1853,
&end
#
# 111 LYS HN 73 ILE QD1 5.50 (# 3084:20 Unique 3.94, 5.56 A)
&rst
ixpk= 3084, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1186,1187,1188,
&end
#
# 0 AMB 20-2:3085 48 ILE QD1 4.50 (# 3085:20 Single Ambig)
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 767, 768, 825, 758,
igr2= 785, 786, 787,
&end
#
# 78 TYR HE 48 ILE QD1 5.50 (# 3086:20 Unique 3.21, 6.42 A)
&rst
ixpk= 3086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1274,1279,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:3087 48 ILE QD1 5.50 (# 3087:20 Single Ambig)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1277,1285,1076,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:3088 48 ILE QD1 5.50 (# 3088:20 Single Ambig)
&rst
ixpk= 3088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1047,1048, 268, 269, 829, 830,
igr2= 785, 786, 787,
&end
#
# 143 VAL HA 104 MET ME 5.50 (# 3089:20 Unique 3.95, 5.41 A)
&rst
ixpk= 3089, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1676,1677,1678,
&end
#
# 79 VAL HN 69 TYR HA 5.50 (# 3090:20 Unique 3.29, 3.83 A)
&rst
ixpk= 3090, nxpk= 20, iat=1285,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 135 LEU HA 4.50 (# 3091:20 Unique 2.75, 2.90 A)
&rst
ixpk= 3091, nxpk= 20, iat=2161,2163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 ASP HN 136 GLU HA 5.50 (# 3092:20 Unique 3.17, 4.10 A)
&rst
ixpk= 3092, nxpk= 20, iat=2206,2182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HN 107 LYS HA 7.00 (# 3093:20 Unique 3.90, 4.98 A)
&rst
ixpk= 3093, nxpk= 20, iat=1761,1727, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 136 GLU HN 136 GLU HA 4.50 (# 3095:20 Unique 2.17, 2.74 A)
&rst
ixpk= 3095, nxpk= 20, iat=2180,2182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ASP HN 95 ASN HA 5.50 (# 3096:20 Unique 3.61, 4.17 A)
&rst
ixpk= 3096, nxpk= 20, iat=1595,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 CYS HN 95 ASN HA 5.50 (# 3097:20 Unique 2.83, 3.37 A)
&rst
ixpk= 3097, nxpk= 20, iat=1545,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASN HN 91 MET ME 5.50 (# 3098:20 Unique 4.57, 5.68 A)
&rst
ixpk= 3098, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1480,1481,1482,
&end
#
# 98 PHE HD 99 ASP HA 4.50 (# 3099:20 Unique 2.76, 4.51 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1583,1591,
&end
#
# 69 TYR HD 57 SER HA 4.50 (# 3100:20 Unique 2.81, 4.80 A)
&rst
ixpk= 3100, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1125,
&end
#
# 90 LEU HN 89 MET HA 4.50 (# 3101:20 Unique 3.54, 3.57 A)
&rst
ixpk= 3101, nxpk= 20, iat=1450,1435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 SER HN 99 ASP HA 5.50 (# 3102:20 Unique 2.83, 3.47 A)
&rst
ixpk= 3102, nxpk= 20, iat=1607,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3103 99 ASP HA 7.00 (# 3103:20 Single Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1575,1556,
&end
#
# 85 GLU HN 84 TYR HA 5.50 (# 3104:20 Unique 2.53, 3.27 A)
&rst
ixpk= 3104, nxpk= 20, iat=1370,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASN HN 91 MET HA 4.50 (# 3105:20 Unique 3.66, 4.18 A)
&rst
ixpk= 3105, nxpk= 20, iat=1531,1471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3106 80 ILE QG2 5.50 (# 3106:20 Single Ambig)
&rst
ixpk= 3106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1327,1076,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:3107 80 ILE QG2 5.50 (# 3107:20 Single Ambig)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 226, 227, 226, 227,
igr2=1307,1308,1309,
&end
#
# 67 VAL HB 80 ILE QG2 5.50 (# 3108:20 Unique 1.99, 4.04 A)
&rst
ixpk= 3108, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1307,1308,1309,
&end
#
# 81 GLY HA- 80 ILE QG2 5.50 (# 3109:20 Unique 3.41, 5.14 A)
&rst
ixpk= 3109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1322,1323,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:3110 80 ILE QG2 5.50 (# 3110:20 Single Ambig)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 215,1064,
igr2=1307,1308,1309,
&end
#
# 48 ILE QG2 80 ILE QG2 5.50 (# 3111:20 Unique 6.66, 8.25 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 778, 779, 780,
igr2=1307,1308,1309,
&end
#
# 132 GLY HA+ 129 VAL MGX 4.50 (# 3112:20 Unique 2.07, 5.55 A)
&rst
ixpk= 3112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2121,2122,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:3113 129 VAL MGX 5.50 (# 3113:20 Single Ambig)
&rst
ixpk= 3113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2144,2114,2115,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:3114 129 VAL MGX 5.50 (# 3114:20 Single Ambig)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2114,2115,2128,2067,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 130 ASP HA 129 VAL MGX 5.50 (# 3115:20 Unique 3.65, 5.77 A)
&rst
ixpk= 3115, nxpk= 20, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 48 ILE HG1+ 48 ILE HA 5.50 (# 3117:20 Unique 1.98, 3.00 A)
&rst
ixpk= 3117, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 783,
&end
#
# 48 ILE HG1- 48 ILE HA 5.50 (# 3118:20 Unique 1.98, 3.00 A)
&rst
ixpk= 3118, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 783,
&end
#
# 69 TYR HD 0 AMB 20-1:3120 4.50 (# 3120:20 Single Ambig)
&rst
ixpk= 3120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1116,1125,
igr2= 932, 933, 932, 933,
&end
#
# 41 GLN HE2+ 36 PRO HA 5.50 (# 3121:20 Unique 2.06, 3.90 A)
&rst
ixpk= 3121, nxpk= 20, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 664, 665,
&end
#
# 57 SER HN 0 AMB 20-1:3122 3.50 (# 3122:20 Single Ambig)
&rst
ixpk= 3122, nxpk= 20, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 932, 933, 932, 933,
&end
#
# 68 VAL HA 59 ILE HG1- 5.50 (# 3123:20 Unique 2.38, 3.79 A)
&rst
ixpk= 3123, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 964, 965,
&end
#
# 59 ILE HN 59 ILE HG1- 5.50 (# 3124:20 Unique 3.88, 4.69 A)
&rst
ixpk= 3124, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 964, 965,
&end
#
# 112 ARG HN 0 AMB 20-1:3125 5.50 (# 3125:20 Single Ambig)
&rst
ixpk= 3125, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1802,1803,1802,1803,
&end
#
# 111 LYS HN 0 AMB 20-1:3126 5.50 (# 3126:20 Single Ambig)
&rst
ixpk= 3126, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1802,1803,1802,1803,
&end
#
# 80 ILE HA 80 ILE HG1- 5.50 (# 3127:20 Unique 2.24, 3.06 A)
&rst
ixpk= 3127, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1311,1312,
&end
#
# 44 PHE HE 80 ILE HG1+ 5.50 (# 3128:20 Unique 2.02, 5.08 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 711, 715,
igr2=1311,1312,
&end
#
# 16 ILE HA 16 ILE HG1+ 4.50 (# 3129:20 Unique 2.12, 2.59 A)
&rst
ixpk= 3129, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 255, 256,
&end
#
# 14 LYS HN 0 AMB 20-1:3130 5.50 (# 3130:20 Single Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 223, 224, 223, 224,1311,1312,
&end
#
# 45 GLU HN 45 GLU HG- 4.50 (# 3131:20 Unique 1.96, 2.78 A)
&rst
ixpk= 3131, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 728, 729,
&end
#
# 45 GLU HN 45 GLU HG+ 5.50 (# 3132:20 Unique 1.96, 2.78 A)
&rst
ixpk= 3132, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 728, 729,
&end
#
# 30 TYR HH 45 GLU HG+ 5.50 (# 3133:20 Unique 1.99, 2.71 A)
&rst
ixpk= 3133, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 728, 729,
&end
#
# 30 TYR HH 45 GLU HG- 5.50 (# 3134:20 Unique 1.99, 2.71 A)
&rst
ixpk= 3134, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 728, 729,
&end
#
# 87 GLU HN 86 ASN HB+ 5.50 (# 3135:20 Unique 1.95, 3.24 A)
&rst
ixpk= 3135, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1389,1390,
&end
#
# 87 GLU HN 86 ASN HB- 5.50 (# 3136:20 Unique 1.95, 3.24 A)
&rst
ixpk= 3136, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1389,1390,
&end
#
# 31 TYR HN 31 TYR HB- 4.50 (# 3137:20 Unique 2.06, 2.92 A)
&rst
ixpk= 3137, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 498, 499,
&end
#
# 86 ASN HD2+ 86 ASN HB- 4.50 (# 3138:20 Unique 2.10, 3.37 A)
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1394,1395,
igr2=1389,1390,
&end
#
# 86 ASN HD2+ 86 ASN HB+ 5.50 (# 3139:20 Unique 2.10, 3.37 A)
&rst
ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1394,1395,
igr2=1389,1390,
&end
#
# 49 PHE HA 0 AMB 20-1:3140 5.50 (# 3140:20 Single Ambig)
&rst
ixpk= 3140, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 795, 796, 795, 796,
&end
#
# 25 ARG HE 25 ARG HD- 4.50 (# 3142:20 Unique 2.33, 2.73 A)
&rst
ixpk= 3142, nxpk= 20, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 388, 389,
&end
#
# 35 TYR HN 33 ASP HA 5.50 (# 3143:20 Unique 4.01, 4.46 A)
&rst
ixpk= 3143, nxpk= 20, iat= 553, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 26 LEU HG 5.50 (# 3144:20 Unique 2.32, 3.40 A)
&rst
ixpk= 3144, nxpk= 20, iat= 321, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3145 29 LYS HD- 5.50 (# 3145:20 Single Ambig)
&rst
ixpk= 3145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 245, 473,
igr2= 461, 462,
&end
#
# 0 AMB 20-2:3146 0 AMB 20-1:3146 4.50 (# 3146:20 Double Ambig)
&rst
ixpk= 3146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1301,2142,
igr2=1311,1312,2152,2153,2152,2153,
&end
#
# 146 VAL HN 145 ARG HG- 5.50 (# 3147:20 Unique 2.84, 4.77 A)
&rst
ixpk= 3147, nxpk= 20, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2322,2323,
&end
#
# 0 AMB 20-2:3148 87 GLU HA 5.50 (# 3148:20 Single Ambig)
&rst
ixpk= 3148, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1338,1469,
&end
#
# 0 AMB 20-2:3149 0 AMB 20-1:3149 4.50 (# 3149:20 Double Ambig)
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1607,1192,
igr2=1599,1600,1196,1197,
&end
#
# 100 SER HN 99 ASP HB+ 4.50 (# 3150:20 Unique 2.36, 3.31 A)
&rst
ixpk= 3150, nxpk= 20, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1599,1600,
&end
#
# 50 ASN HN 50 ASN HB- 2.80 (# 3151:20 Unique 2.05, 2.52 A)
&rst
ixpk= 3151, nxpk= 20, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 815, 816,
&end
#
# 54 ARG HN 54 ARG HB+ 5.50 (# 3152:20 Unique 2.02, 2.81 A)
&rst
ixpk= 3152, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 882, 883,
&end
#
# 140 GLN HN 139 PRO HD+ 4.50 (# 3154:20 Unique 2.31, 3.29 A)
&rst
ixpk= 3154, nxpk= 20, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2219,2220,
&end
#
# 0 AMB 20-2:3156 26 LEU MDX 5.50 (# 3156:20 Single Ambig)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 333, 366,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 122 PHE HN 121 LEU HG 5.50 (# 3157:20 Unique 2.13, 2.43 A)
&rst
ixpk= 3157, nxpk= 20, iat=1973,1961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3158 0 AMB 20-1:3158 5.50 (# 3158:20 Double Ambig)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1725,1747,1901,
igr2=1686,1687,1686,1687,1686,1687,
&end
#
# 108 ASN HN 113 ALA MB 5.50 (# 3159:20 Unique 2.91, 4.64 A)
&rst
ixpk= 3159, nxpk= 20, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1842,1843,1844,
&end
#
# 55 THR HN 54 ARG HB+ 5.50 (# 3160:20 Unique 2.06, 3.45 A)
&rst
ixpk= 3160, nxpk= 20, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 882, 883,
&end
#
# 46 LYS HN 45 GLU HB- 5.50 (# 3161:20 Unique 2.89, 3.71 A)
&rst
ixpk= 3161, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 59 ILE HN 58 GLU HG+ 5.50 (# 3162:20 Unique 1.93, 3.12 A)
&rst
ixpk= 3162, nxpk= 20, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:3163 0 AMB 20-1:3163 5.50 (# 3163:20 Double Ambig)
&rst
ixpk= 3163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 637, 441,1701,
igr2= 625, 626, 679, 680, 461, 462,1735,1736,1735,1736,
&end
#
# 0 AMB 20-2:3164 90 LEU HG 7.00 (# 3164:20 Single Ambig)
&rst
ixpk= 3164, nxpk= 20, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1433,1394,1395,
&end
#
# 128 ILE HN 0 AMB 20-1:3165 5.50 (# 3165:20 Single Ambig)
&rst
ixpk= 3165, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2075,2076,2075,2076,
&end
#
# 51 LYS HN 52 THR MG2 4.50 (# 3166:20 Unique 2.52, 5.03 A)
&rst
ixpk= 3166, nxpk= 20, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 853, 854, 855,
&end
#
# 52 THR HN 49 PHE HD 7.00 (# 3168:20 Unique 3.50, 6.12 A)
&rst
ixpk= 3168, nxpk= 20, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 799, 807,
&end
#
# 0 AMB 20-2:3169 118 MET ME 5.50 (# 3169:20 Single Ambig)
&rst
ixpk= 3169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 431, 435,1886,
igr2=1926,1927,1928,
&end
#
# 113 ALA HN 112 ARG HA 4.50 (# 3171:20 Unique 3.51, 3.62 A)
&rst
ixpk= 3171, nxpk= 20, iat=1838,1816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3172 31 TYR HB- 5.50 (# 3172:20 Single Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 504, 509, 172, 177,
igr2= 498, 499,
&end
#
# 35 TYR HD 34 THR HB 5.50 (# 3173:20 Unique 1.95, 4.12 A)
&rst
ixpk= 3173, nxpk= 20, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 570,
&end
#
# 35 TYR HD 40 GLU HB+ 4.50 (# 3174:20 Unique 1.95, 4.86 A)
&rst
ixpk= 3174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 561, 570,
igr2= 641, 642,
&end
#
# 35 TYR HD 40 GLU HB- 7.00 (# 3175:20 Unique 1.95, 4.86 A)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 561, 570,
igr2= 641, 642,
&end
#
# 78 TYR HE 19 LEU HG 4.50 (# 3176:20 Unique 1.99, 4.92 A)
&rst
ixpk= 3176, nxpk= 20, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1274,1279,
&end
#
# 20 ASP HA 0 AMB 20-1:3177 5.50 (# 3177:20 Single Ambig)
&rst
ixpk= 3177, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1802,1803,1802,1803,
&end
#
# 61 LEU HA 0 AMB 20-1:3178 5.50 (# 3178:20 Single Ambig)
&rst
ixpk= 3178, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1006,1007,1006,1007,
&end
#
# 66 THR HA 66 THR HB 4.50 (# 3179:20 Unique 2.64, 3.00 A)
&rst
ixpk= 3179, nxpk= 20, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HA 5 ILE QG2 5.50 (# 3181:20 Unique 3.23, 4.78 A)
&rst
ixpk= 3181, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 71, 72, 73,
&end
#
# 132 GLY HA- 13 VAL MGX 4.50 (# 3183:20 Unique 1.99, 5.34 A)
&rst
ixpk= 3183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2121,2122,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 70 LYS HA 70 LYS HG+ 4.50 (# 3185:20 Unique 3.05, 3.67 A)
&rst
ixpk= 3185, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1136,1137,
&end
#
# 0 AMB 20-2:3186 57 SER HA 2.80 (# 3186:20 Single Ambig)
&rst
ixpk= 3186, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 932, 933, 932, 933,
&end
#
# 0 AMB 20-2:3187 121 LEU MDY 5.50 (# 3187:20 Single Ambig)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2024,1977,1978,1977,1978,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:3188 21 ASN HB- 5.50 (# 3188:20 Single Ambig)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 325, 326,1155,1156,1155,1156,
igr2= 337, 338,
&end
#
# 48 ILE HA 50 ASN HB- 7.00 (# 3189:20 Unique 4.96, 6.06 A)
&rst
ixpk= 3189, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 815, 816,
&end
#
# 69 TYR HB- 52 THR MG2 5.50 (# 3190:20 Unique 2.18, 3.87 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1112,1113,
igr2= 853, 854, 855,
&end
#
# 0 AMB 20-2:3192 17 LEU HB- 5.50 (# 3192:20 Single Ambig)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 309, 725, 726, 382, 383,
igr2= 268, 269,
&end
#
# 0 AMB 20-2:3193 0 AMB 20-1:3193 4.50 (# 3193:20 Double Ambig)
&rst
ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 166, 167,1549,1550,1353,1354,
igr2=1331,1332,2199,2200,1331,1332,
&end
#
# 0 AMB 20-2:3194 82 SER HB- 4.50 (# 3194:20 Single Ambig)
&rst
ixpk= 3194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1353,1354, 226, 227, 226, 227,
igr2=1331,1332,
&end
#
# 96 CYS HB- 93 VAL HA 4.50 (# 3195:20 Unique 1.93, 2.48 A)
&rst
ixpk= 3195, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1549,1550,
&end
#
# 27 PHE HB+ 18 ILE HB 4.50 (# 3196:20 Unique 1.93, 2.45 A)
&rst
ixpk= 3196, nxpk= 20, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 0 AMB 20-2:3197 0 AMB 20-1:3197 4.50 (# 3197:20 Double Ambig)
&rst
ixpk= 3197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 728, 729,1893,1894,
igr2= 671,1816,
&end
#
# 89 MET HG+ 82 SER HB- 5.50 (# 3199:20 Unique 2.01, 6.31 A)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1440,1441,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:3200 0 AMB 20-1:3200 2.80 (# 3200:20 Double Ambig)
&rst
ixpk= 3200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1096,1025,1026,1579,1580,
igr2=1521,1522,1523,1525,1526,1527,1052,1053,1054,1056,
1057,1058,1565,1566,1567,1569,1570,1571,
&end
#
# 116 GLU HG- 0 AMB 20-1:3201 4.50 (# 3201:20 Single Ambig)
&rst
ixpk= 3201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1893,1894,
igr2=1824,1825,1824,1825,
&end
#
# 25 ARG HB+ 25 ARG HD+ 5.50 (# 3203:20 Unique 1.98, 2.94 A)
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 382, 383,
igr2= 388, 389,
&end
#
# 104 MET ME 124 ALA MB 2.80 (# 3204:20 Unique 1.99, 4.01 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1676,1677,1678,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:3206 34 THR MG2 4.50 (# 3206:20 Single Ambig)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 223, 224, 223, 224, 220, 221, 220, 221,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:3207 0 AMB 20-1:3207 5.50 (# 3207:20 Double Ambig)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 656, 657, 829, 830, 725, 726,
igr2= 705, 706, 815, 816, 705, 706,
&end
#
# 0 AMB 20-2:3209 44 PHE HA 5.50 (# 3209:20 Single Ambig)
&rst
ixpk= 3209, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 695, 696, 697, 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:3210 0 AMB 20-1:3210 5.50 (# 3210:20 Double Ambig)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 147, 148, 147, 148,
igr2= 136, 137, 136, 137,
&end
#
# 0 AMB 20-2:3211 82 SER HB- 5.50 (# 3211:20 Single Ambig)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 147, 148, 147, 148,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:3212 0 AMB 20-1:3212 4.50 (# 3212:20 Double Ambig)
&rst
ixpk= 3212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1139,1140,1521,1522,1523,1525,1526,1527,
igr2=1579,1580,1579,1580,
&end
#
# 142 VAL MGX 0 AMB 20-1:3213 4.50 (# 3213:20 Single Ambig)
&rst
ixpk= 3213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2272,2273,2274,2276,2277,2278,
igr2=2187,2188,2187,2188,
&end
#
# 0 AMB 20-2:3214 0 AMB 20-1:3214 4.50 (# 3214:20 Double Ambig)
&rst
ixpk= 3214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
igr2= 406, 407, 406, 407, 406, 407, 406, 407,
&end
#
# 0 AMB 20-2:3215 26 LEU HB- 4.50 (# 3215:20 Single Ambig)
&rst
ixpk= 3215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
igr2= 406, 407,
&end
#
# 18 ILE QG2 26 LEU HG 7.00 (# 3217:20 Unique 3.97, 5.90 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 289, 290, 291,
&end
#
# 129 VAL MGX 13 VAL HB 4.50 (# 3218:20 Unique 2.06, 4.74 A)
&rst
ixpk= 3218, nxpk= 20, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:3219 75 LEU HB- 3.50 (# 3219:20 Single Ambig)
&rst
ixpk= 3219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:3220 64 GLY HA- 5.50 (# 3220:20 Single Ambig)
&rst
ixpk= 3220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 990, 987, 988,
igr2=1038,1039,
&end
#
# 0 AMB 20-2:3221 0 AMB 20-1:3221 5.50 (# 3221:20 Double Ambig)
&rst
ixpk= 3221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.21, r4=13.71,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279, 273, 274,
275, 277, 278, 279,
igr2= 388, 389, 388, 389, 388, 389, 388, 389,
&end
#
# 0 AMB 20-2:3222 25 ARG HD- 7.00 (# 3222:20 Single Ambig)
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279,
igr2= 388, 389,
&end
#
# 25 ARG HN 0 AMB 20-1:3223 5.50 (# 3223:20 Single Ambig)
&rst
ixpk= 3223, nxpk= 20, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 388, 389, 388, 389,
&end
#
# 13 VAL MGY 132 GLY HA- 5.50 (# 3224:20 Unique 1.99, 5.34 A)
&rst
ixpk= 3224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 203, 204, 205, 207, 208, 209,
igr2=2121,2122,
&end
#
# 0 AMB 20-2:3225 0 AMB 20-1:3225 5.50 (# 3225:20 Double Ambig)
&rst
ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2119,2126,
igr2=2121,2122,2121,2122,
&end
#
# 19 LEU HB+ 23 GLY HA- 4.50 (# 3226:20 Unique 2.62, 4.81 A)
&rst
ixpk= 3226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 306, 307,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:3227 19 LEU HB- 5.50 (# 3227:20 Single Ambig)
&rst
ixpk= 3227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 309, 382, 383,
igr2= 306, 307,
&end
#
# 0 AMB 20-2:3228 81 GLY HA- 5.50 (# 3228:20 Single Ambig)
&rst
ixpk= 3228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1307,1308,1309, 189, 190, 191,1291,1292,1293,1295,
1296,1297,1068,1069,1070,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:3232 0 AMB 20-1:3232 4.50 (# 3232:20 Double Ambig)
&rst
ixpk= 3232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=2253,2254,2253,2254,2054,2055,2054,2055,
igr2=2325,2326,2325,2326,2325,2326,2325,2326,
&end
#
# 145 ARG HG+ 145 ARG HD+ 4.50 (# 3233:20 Unique 2.27, 2.72 A)
&rst
ixpk= 3233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2322,2323,
igr2=2325,2326,
&end
#
# 0 AMB 20-2:3235 0 AMB 20-1:3235 5.50 (# 3235:20 Double Ambig)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2272,2273,2274,2276,2277,2278,2170,2171,2172,2174,
2175,2176,
igr2=2325,2326,2325,2326,
&end
#
# 18 ILE QG2 27 PHE HB+ 5.50 (# 3236:20 Unique 3.31, 4.59 A)
&rst
ixpk= 3236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 289, 290, 291,
igr2= 425, 426,
&end
#
# 136 GLU HN 135 LEU HB- 5.50 (# 3237:20 Unique 1.91, 3.42 A)
&rst
ixpk= 3237, nxpk= 20, iat=2180, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2165,2166,
&end
#
# 135 LEU HN 135 LEU HB- 4.50 (# 3238:20 Unique 2.06, 3.09 A)
&rst
ixpk= 3238, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2165,2166,
&end
#
# 78 TYR HD 69 TYR HB- 5.50 (# 3239:20 Unique 2.03, 4.69 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1272,1281,
igr2=1112,1113,
&end
#
# 0 AMB 20-2:3240 0 AMB 20-1:3240 5.50 (# 3240:20 Double Ambig)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1660,1661,1660,1661,
igr2=1711,1712,1711,1712,
&end
#
# 0 AMB 20-2:3241 0 AMB 20-1:3241 7.00 (# 3241:20 Double Ambig)
&rst
ixpk= 3241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1=1886,1756,1757,1756,1757,
igr2=1824,1825,1824,1825,1824,1825,
&end
#
# 135 LEU HG 135 LEU HB+ 3.50 (# 3242:20 Unique 2.35, 2.80 A)
&rst
ixpk= 3242, nxpk= 20, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2165,2166,
&end
#
# 79 VAL HN 78 TYR HB- 7.00 (# 3244:20 Unique 2.42, 3.89 A)
&rst
ixpk= 3244, nxpk= 20, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1268,1269,
&end
#
# 23 GLY HN 22 ASP HB+ 5.50 (# 3245:20 Unique 2.55, 3.51 A)
&rst
ixpk= 3245, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 351, 352,
&end
#
# 78 TYR HN 77 PHE HB- 5.50 (# 3246:20 Unique 2.05, 3.58 A)
&rst
ixpk= 3246, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1248,1249,
&end
#
# 48 ILE QD1 51 LYS HE+ 7.00 (# 3248:20 Unique 6.07, 7.53 A)
&rst
ixpk= 3248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 785, 786, 787,
igr2= 838, 839,
&end
#
# 26 LEU HG 20 ASP HB- 5.50 (# 3250:20 Unique 2.64, 3.94 A)
&rst
ixpk= 3250, nxpk= 20, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 325, 326,
&end
#
# 0 AMB 20-2:3251 0 AMB 20-1:3251 5.50 (# 3251:20 Double Ambig)
&rst
ixpk= 3251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1208,1209, 306, 307, 306, 307,
igr2= 325, 326, 351, 352,
&end
#
# 0 AMB 20-2:3252 0 AMB 20-1:3252 4.50 (# 3252:20 Double Ambig)
&rst
ixpk= 3252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1=1136,1137,1139,1140,1521,1522,1523,1525,1526,1527,
1565,1566,1567,1569,1570,1571,1565,1566,1567,1569,
1570,1571,
igr2=1248,1249,1248,1249,1248,1249,1248,1249,1248,1249,
&end
#
# 16 ILE HA 16 ILE HB 5.50 (# 3253:20 Unique 2.94, 2.99 A)
&rst
ixpk= 3253, nxpk= 20, iat= 247, 249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3254 0 AMB 20-1:3254 5.50 (# 3254:20 Double Ambig)
&rst
ixpk= 3254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1917,1840,
igr2=1852,1853,1852,1853,
&end
#
# 0 AMB 20-2:3255 0 AMB 20-1:3255 5.50 (# 3255:20 Double Ambig)
&rst
ixpk= 3255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1840,1888,1917,
igr2=1871,1872,1871,1872,1871,1872,
&end
#
# 0 AMB 20-2:3256 0 AMB 20-1:3256 5.50 (# 3256:20 Double Ambig)
&rst
ixpk= 3256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 878,1043, 378, 347,
igr2= 838, 839, 749, 750, 749, 750,
&end
#
# 0 AMB 20-2:3257 42 LYS HE- 5.50 (# 3257:20 Single Ambig)
&rst
ixpk= 3257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 615, 652,
igr2= 682, 683,
&end
#
# 139 PRO HD- 138 ASP HB- 5.50 (# 3258:20 Unique 2.50, 4.19 A)
&rst
ixpk= 3258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2219,2220,
igr2=2210,2211,
&end
#
# 0 AMB 20-2:3262 0 AMB 20-1:3262 4.50 (# 3262:20 Double Ambig)
&rst
ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
igr1= 964, 965,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088,1098,1099,1100,1102,1103,1104,
igr2= 987, 988, 987, 988, 987, 988, 987, 988,
&end
#
# 106 ARG HN 105 LEU HB+ 4.50 (# 3265:20 Unique 2.48, 3.93 A)
&rst
ixpk= 3265, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1686,1687,
&end
#
# 109 VAL MGX 105 LEU HB+ 5.50 (# 3266:20 Unique 1.99, 6.30 A)
&rst
ixpk= 3266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1686,1687,
&end
#
# 68 VAL HA 59 ILE HB 7.00 (# 3267:20 Unique 3.88, 4.65 A)
&rst
ixpk= 3267, nxpk= 20, iat=1094, 958, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ASN HD2+ 74 ASP HB- 5.50 (# 3269:20 Unique 1.95, 4.13 A)
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 342, 343,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:3270 117 ASN HB- 5.50 (# 3270:20 Single Ambig)
&rst
ixpk= 3270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1917,1840,1888,
igr2=1905,1906,
&end
#
# 105 LEU HA 117 ASN HB- 7.00 (# 3271:20 Unique 3.42, 5.35 A)
&rst
ixpk= 3271, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1905,1906,
&end
#
# 74 ASP HN 74 ASP HB+ 5.50 (# 3272:20 Unique 2.81, 3.39 A)
&rst
ixpk= 3272, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1196,1197,
&end
#
# 32 ASP HN 30 TYR HB+ 5.50 (# 3273:20 Unique 2.51, 3.75 A)
&rst
ixpk= 3273, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 478,
&end
#
# 0 AMB 20-2:3275 0 AMB 20-1:3275 5.50 (# 3275:20 Double Ambig)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1575,1556,
igr2=1599,1600,1599,1600,
&end
#
# 121 LEU HN 117 ASN HB+ 5.50 (# 3276:20 Unique 3.28, 4.38 A)
&rst
ixpk= 3276, nxpk= 20, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1905,1906,
&end
#
# 0 AMB 20-2:3277 0 AMB 20-1:3277 4.50 (# 3277:20 Double Ambig)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1958,1959,1890,1891,
igr2=1905,1906,1905,1906,
&end
#
# 139 PRO HB- 99 ASP HB+ 5.50 (# 3278:20 Unique 1.99, 3.24 A)
&rst
ixpk= 3278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225,2226,
igr2=1599,1600,
&end
#
# 0 AMB 20-2:3279 99 ASP HB- 5.50 (# 3279:20 Single Ambig)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1641,1642,1641,1642,
igr2=1599,1600,
&end
#
# 18 ILE HA 18 ILE HB 5.50 (# 3280:20 Unique 3.00, 3.01 A)
&rst
ixpk= 3280, nxpk= 20, iat= 285, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HE 30 TYR HB+ 5.50 (# 3281:20 Unique 4.70, 5.14 A)
&rst
ixpk= 3281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 483, 488,
igr2= 477, 478,
&end
#
# 30 TYR HE 0 AMB 20-1:3282 5.50 (# 3282:20 Single Ambig)
&rst
ixpk= 3282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 483, 488,
igr2= 531, 532, 531, 532, 477, 478,
&end
#
# 0 AMB 20-2:3283 0 AMB 20-1:3283 4.50 (# 3283:20 Double Ambig)
&rst
ixpk= 3283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2222,2223,1781,1782,
igr2=1599,1600,1196,1197,
&end
#
# 18 ILE HN 18 ILE HB 4.50 (# 3284:20 Unique 2.29, 2.61 A)
&rst
ixpk= 3284, nxpk= 20, iat= 283, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLY HN 80 ILE HB 5.50 (# 3285:20 Unique 3.71, 4.03 A)
&rst
ixpk= 3285, nxpk= 20, iat=1320,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 PHE HE 0 AMB 20-1:3286 5.50 (# 3286:20 Single Ambig)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 801, 805,
igr2= 795, 796, 795, 796,
&end
#
# 99 ASP HA 98 PHE HB+ 5.50 (# 3287:20 Unique 4.31, 5.04 A)
&rst
ixpk= 3287, nxpk= 20, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1579,1580,
&end
#
# 0 AMB 20-2:3289 0 AMB 20-1:3289 5.50 (# 3289:20 Double Ambig)
&rst
ixpk= 3289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1139,1140,1521,1522,1523,1525,1526,1527,1565,1566,
1567,1569,1570,1571,1136,1137,
igr2=1579,1580,1579,1580,1579,1580,1579,1580,
&end
#
# 0 AMB 20-2:3290 117 ASN HB- 4.50 (# 3290:20 Single Ambig)
&rst
ixpk= 3290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1627,1628,1629,1631,1632,1633,1857,1858,1859,1861,
1862,1863,1857,1858,1859,1861,1862,1863,
igr2=1905,1906,
&end
#
# 49 PHE HE 0 AMB 20-1:3291 5.50 (# 3291:20 Single Ambig)
&rst
ixpk= 3291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 801, 805,
igr2= 795, 796, 795, 796,
&end
#
# 86 ASN HA 86 ASN HB+ 4.50 (# 3292:20 Unique 2.29, 2.54 A)
&rst
ixpk= 3292, nxpk= 20, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1389,1390,
&end
#
# 0 AMB 20-2:3293 86 ASN HB- 4.50 (# 3293:20 Single Ambig)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1374,1375,1374,1375,1403,1404,
igr2=1389,1390,
&end
#
# 0 AMB 20-2:3294 0 AMB 20-1:3294 4.50 (# 3294:20 Double Ambig)
&rst
ixpk= 3294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1374,1375,1374,1375,1403,1404,1444,1445,1446,
igr2=1389,1390,1389,1390,1389,1390,1389,1390,
&end
#
# 88 LEU MDY 86 ASN HB- 5.50 (# 3295:20 Unique 1.98, 4.76 A)
&rst
ixpk= 3295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1423,1424,1425,1427,1428,1429,
igr2=1389,1390,
&end
#
# 0 AMB 20-2:3298 0 AMB 20-1:3298 5.50 (# 3298:20 Double Ambig)
&rst
ixpk= 3298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1840,1727,
igr2=1751,1752,1751,1752,
&end
#
# 0 AMB 20-2:3299 0 AMB 20-1:3299 4.50 (# 3299:20 Double Ambig)
&rst
ixpk= 3299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 835, 836, 835, 836, 835, 836, 835, 836,
igr2= 815, 816, 762, 763, 762, 763, 762, 763,
&end
#
# 0 AMB 20-2:3300 0 AMB 20-1:3300 4.50 (# 3300:20 Double Ambig)
&rst
ixpk= 3300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 829, 830, 829, 830, 829, 830, 740, 741, 740, 741,
740, 741,
igr2= 762, 763, 762, 763, 815, 816, 762, 763, 762, 763,
&end
#
# 0 AMB 20-2:3301 0 AMB 20-1:3301 4.50 (# 3301:20 Double Ambig)
&rst
ixpk= 3301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 203, 204, 205, 207, 208, 209,2090,2091,2092,2094,
2095,2096, 458, 459,
igr2= 498, 499, 498, 499, 498, 499,
&end
#
# 43 ALA HN 44 PHE HB- 5.50 (# 3302:20 Unique 3.50, 4.01 A)
&rst
ixpk= 3302, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 705, 706,
&end
#
# 5 ILE HN 5 ILE HB 3.50 (# 3303:20 Unique 2.34, 2.53 A)
&rst
ixpk= 3303, nxpk= 20, iat= 65, 69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ALA HN 0 AMB 20-1:3304 5.50 (# 3304:20 Single Ambig)
&rst
ixpk= 3304, nxpk= 20, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1977,1978,1977,1978,
&end
#
# 113 ALA MB 108 ASN HB+ 4.50 (# 3305:20 Unique 2.41, 5.08 A)
&rst
ixpk= 3305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1842,1843,1844,
igr2=1751,1752,
&end
#
# 110 GLU HB- 108 ASN HB+ 5.50 (# 3306:20 Unique 2.28, 4.53 A)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1781,1782,
igr2=1751,1752,
&end
#
# 0 AMB 20-2:3307 0 AMB 20-1:3307 5.50 (# 3307:20 Double Ambig)
&rst
ixpk= 3307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1958,1959,2016,2017,2018,
igr2=1977,1978,1977,1978,1977,1978,
&end
#
# 0 AMB 20-2:3308 0 AMB 20-1:3308 5.50 (# 3308:20 Double Ambig)
&rst
ixpk= 3308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1963,1964,1965,1967,1968,1969,1627,1628,1629,1631,
1632,1633,
igr2=1977,1978,1977,1978,1977,1978,
&end
#
# 0 AMB 20-2:3309 108 ASN HB- 5.50 (# 3309:20 Single Ambig)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1784,1785,1781,1782,
igr2=1751,1752,
&end
#
# 74 ASP HB- 21 ASN HB+ 5.50 (# 3310:20 Unique 2.80, 4.81 A)
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1196,1197,
igr2= 337, 338,
&end
#
# 20 ASP HA 21 ASN HB+ 5.50 (# 3311:20 Unique 4.40, 5.24 A)
&rst
ixpk= 3311, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 338,
&end
#
# 49 PHE HE 21 ASN HB+ 5.50 (# 3312:20 Unique 4.00, 6.18 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 801, 805,
igr2= 337, 338,
&end
#
# 12 THR HN 11 TYR HB- 7.00 (# 3313:20 Unique 2.05, 3.83 A)
&rst
ixpk= 3313, nxpk= 20, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:3314 0 AMB 20-1:3314 5.50 (# 3314:20 Double Ambig)
&rst
ixpk= 3314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1359,1364, 172, 177,
igr2= 166, 167,1353,1354,
&end
#
# 0 AMB 20-2:3315 0 AMB 20-1:3315 5.50 (# 3315:20 Double Ambig)
&rst
ixpk= 3315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=2256,2257,2256,2257,
igr2=2187,2188,2187,2188,
&end
#
# 0 AMB 20-2:3316 0 AMB 20-1:3316 2.80 (# 3316:20 Double Ambig)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2184,2185,2184,2185,2184,2185,
igr2=2187,2188,2187,2188,2187,2188,
&end
#
# 39 LYS HG- 40 GLU HG- 5.50 (# 3317:20 Unique 4.73, 6.60 A)
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 622, 623,
igr2= 644, 645,
&end
#
# 136 GLU HA 0 AMB 20-1:3318 5.50 (# 3318:20 Single Ambig)
&rst
ixpk= 3318, nxpk= 20, iat=2182, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2187,2188,2187,2188,
&end
#
# 0 AMB 20-2:3319 0 AMB 20-1:3319 5.50 (# 3319:20 Double Ambig)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 619, 620, 625, 626,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 20-2:3320 0 AMB 20-1:3320 4.50 (# 3320:20 Double Ambig)
&rst
ixpk= 3320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 619, 620, 625, 626,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 20-2:3321 0 AMB 20-1:3321 4.50 (# 3321:20 Double Ambig)
&rst
ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 622, 623, 695, 696, 697, 676, 677,
igr2= 644, 645, 644, 645, 644, 645,
&end
#
# 77 PHE HB+ 70 LYS HB- 5.50 (# 3322:20 Unique 2.02, 4.85 A)
&rst
ixpk= 3322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1248,1249,
igr2=1133,1134,
&end
#
# 77 PHE HB- 70 LYS HB- 5.50 (# 3323:20 Unique 2.02, 4.85 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1248,1249,
igr2=1133,1134,
&end
#
# 115 LEU HN 116 GLU HG+ 5.50 (# 3326:20 Unique 3.17, 4.50 A)
&rst
ixpk= 3326, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1893,1894,
&end
#
# 0 AMB 20-2:3327 0 AMB 20-1:3327 5.50 (# 3327:20 Double Ambig)
&rst
ixpk= 3327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1973,1043,
igr2=1939,1940,1939,1940,1028,1029,
&end
#
# 0 AMB 20-2:3329 0 AMB 20-1:3329 5.50 (# 3329:20 Double Ambig)
&rst
ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 119, 120, 119, 120,1331,1332,1401,
igr2=1377,1378,1377,1378,1377,1378,1377,1378,
&end
#
# 0 AMB 20-2:3330 48 ILE HB 4.50 (# 3330:20 Single Ambig)
&rst
ixpk= 3330, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 758, 767, 768,
&end
#
# 0 AMB 20-2:3331 0 AMB 20-1:3331 2.80 (# 3331:20 Double Ambig)
&rst
ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 103,1414,
igr2= 110, 111, 110, 111,1406,1407,1406,1407,
&end
#
# 28 ALA HA 29 LYS HB+ 4.50 (# 3332:20 Unique 4.04, 4.69 A)
&rst
ixpk= 3332, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:3333 29 LYS HB- 4.50 (# 3333:20 Single Ambig)
&rst
ixpk= 3333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 245, 473, 494,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:3334 0 AMB 20-1:3334 4.50 (# 3334:20 Double Ambig)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2028,2029,2030,2032,2033,2034, 258, 259, 260,
igr2= 455, 456, 455, 456,
&end
#
# 0 AMB 20-2:3335 0 AMB 20-1:3335 4.50 (# 3335:20 Double Ambig)
&rst
ixpk= 3335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 251, 252, 253, 445, 446, 447,
igr2= 455, 456, 455, 456,
&end
#
# 86 ASN HA 87 GLU HG+ 4.50 (# 3336:20 Unique 3.50, 5.00 A)
&rst
ixpk= 3336, nxpk= 20, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1406,1407,
&end
#
# 0 AMB 20-2:3337 129 VAL HB 5.50 (# 3337:20 Single Ambig)
&rst
ixpk= 3337, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1502,1503,1504,1506,1507,1508, 203, 204, 205, 207,
208, 209,
&end
#
# 142 VAL MGY 127 GLU HG- 4.50 (# 3338:20 Unique 1.99, 5.16 A)
&rst
ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2272,2273,2274,2276,2277,2278,
igr2=2057,2058,
&end
#
# 0 AMB 20-2:3339 0 AMB 20-1:3339 3.50 (# 3339:20 Double Ambig)
&rst
ixpk= 3339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1676,1677,1678,1689,
igr2=1669,1670,1669,1670,
&end
#
# 139 PRO HB- 103 GLN HG+ 4.50 (# 3340:20 Unique 2.77, 4.83 A)
&rst
ixpk= 3340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2225,2226,
igr2=1655,1656,
&end
#
# 139 PRO HB- 0 AMB 20-1:3341 3.50 (# 3341:20 Single Ambig)
&rst
ixpk= 3341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2225,2226,
igr2=1655,1656,2239,2240,
&end
#
# 139 PRO HB- 140 GLN HG+ 5.50 (# 3342:20 Unique 3.75, 5.46 A)
&rst
ixpk= 3342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225,2226,
igr2=2239,2240,
&end
#
# 139 PRO HD- 140 GLN HG+ 5.50 (# 3343:20 Unique 2.82, 4.48 A)
&rst
ixpk= 3343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2219,2220,
igr2=2239,2240,
&end
#
# 13 VAL HA 14 LYS HB+ 5.50 (# 3344:20 Unique 3.88, 4.65 A)
&rst
ixpk= 3344, nxpk= 20, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 217, 218,
&end
#
# 52 THR HN 51 LYS HB+ 5.50 (# 3346:20 Unique 1.96, 3.15 A)
&rst
ixpk= 3346, nxpk= 20, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 829, 830,
&end
#
# 52 THR MG2 51 LYS HB+ 4.50 (# 3347:20 Unique 2.81, 4.57 A)
&rst
ixpk= 3347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 853, 854, 855,
igr2= 829, 830,
&end
#
# 52 THR MG2 51 LYS HB- 5.50 (# 3348:20 Unique 2.81, 4.57 A)
&rst
ixpk= 3348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 853, 854, 855,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:3349 13 VAL HB 4.50 (# 3349:20 Single Ambig)
&rst
ixpk= 3349, nxpk= 20, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 189, 190, 191,1291,1292,1293,1295,1296,1297,
&end
#
# 0 AMB 20-2:3350 0 AMB 20-1:3350 4.50 (# 3350:20 Double Ambig)
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1=2016,2017,2018,1958,1959,1732,1733,1732,1733,1732,
1733,
igr2=1669,1670,1669,1670,1669,1670,1669,1670,1669,1670,
&end
#
# 112 ARG HN 110 GLU HB- 5.50 (# 3351:20 Unique 2.93, 4.32 A)
&rst
ixpk= 3351, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,
&end
#
# 0 AMB 20-2:3352 0 AMB 20-1:3352 7.00 (# 3352:20 Double Ambig)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 811, 791,1002,
igr2= 829, 830, 829, 830, 829, 830,
&end
#
# 0 AMB 20-2:3353 0 AMB 20-1:3353 5.50 (# 3353:20 Double Ambig)
&rst
ixpk= 3353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=2272,2273,2274,2276,2277,2278,1213,1214,1215,1217,
1218,1219,1213,1214,1215,1217,1218,1219,
igr2=2256,2257,1781,1782,1781,1782,
&end
#
# 0 AMB 20-2:3354 0 AMB 20-1:3354 5.50 (# 3354:20 Double Ambig)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2325,2326,2302,2303,2302,2303,
igr2=2256,2257,2256,2257,2256,2257,
&end
#
# 0 AMB 20-2:3355 141 GLN HG- 5.50 (# 3355:20 Single Ambig)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2325,2326,2302,2303,2302,2303,
igr2=2256,2257,
&end
#
# 0 AMB 20-2:3356 141 GLN HG- 5.50 (# 3356:20 Single Ambig)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2232,2282,
igr2=2256,2257,
&end
#
# 0 AMB 20-2:3358 118 MET HG- 5.50 (# 3358:20 Single Ambig)
&rst
ixpk= 3358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1905,1906,1893,1894,1939,1940,1939,1940,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:3359 0 AMB 20-1:3359 4.50 (# 3359:20 Double Ambig)
&rst
ixpk= 3359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1331,1332,1547,
igr2=1440,1441,2225,2226,
&end
#
# 115 LEU HN 118 MET HG+ 7.00 (# 3360:20 Unique 4.31, 4.84 A)
&rst
ixpk= 3360, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1922,1923,
&end
#
# 115 LEU HN 118 MET HG- 5.50 (# 3361:20 Unique 4.31, 4.84 A)
&rst
ixpk= 3361, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1922,1923,
&end
#
# 0 AMB 20-2:3362 0 AMB 20-1:3362 5.50 (# 3362:20 Double Ambig)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1886, 431, 435,
igr2=1922,1923,1922,1923,
&end
#
# 0 AMB 20-2:3363 133 VAL HB 4.50 (# 3363:20 Single Ambig)
&rst
ixpk= 3363, nxpk= 20, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2104,2105,2104,2105,
&end
#
# 137 SER HN 0 AMB 20-1:3365 5.50 (# 3365:20 Single Ambig)
&rst
ixpk= 3365, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2184,2185,2184,2185,
&end
#
# 134 ILE HN 133 VAL HB 5.50 (# 3366:20 Unique 3.71, 4.19 A)
&rst
ixpk= 3366, nxpk= 20, iat=2142,2130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3367 133 VAL HB 5.50 (# 3367:20 Single Ambig)
&rst
ixpk= 3367, nxpk= 20, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 183,2100,
&end
#
# 30 TYR HE 0 AMB 20-1:3368 5.50 (# 3368:20 Single Ambig)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 483, 488,
igr2= 659, 660, 659, 660,
&end
#
# 0 AMB 20-2:3369 0 AMB 20-1:3369 5.50 (# 3369:20 Double Ambig)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 557, 558, 557, 558,
igr2= 659, 660, 659, 660,
&end
#
# 90 LEU HB- 68 VAL HB 4.50 (# 3370:20 Unique 1.98, 3.79 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1454,1455,
&end
#
# 59 ILE HG1+ 68 VAL HB 7.00 (# 3371:20 Unique 1.98, 4.09 A)
&rst
ixpk= 3371, nxpk= 20, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 964, 965,
&end
#
# 0 AMB 20-2:3372 111 LYS HB- 4.50 (# 3372:20 Single Ambig)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
igr2=1796,1797,
&end
#
# 0 AMB 20-2:3373 0 AMB 20-1:3373 4.50 (# 3373:20 Double Ambig)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1457,1418,1419,
igr2=1476,1477,1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:3374 0 AMB 20-1:3374 4.50 (# 3374:20 Double Ambig)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 964, 965, 964, 965,
igr2=1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:3375 0 AMB 20-1:3375 5.50 (# 3375:20 Double Ambig)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1519,1454,1455,
igr2=1476,1477,1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:3376 0 AMB 20-1:3376 5.50 (# 3376:20 Double Ambig)
&rst
ixpk= 3376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1496, 954,1433,
igr2=1476,1477,1476,1477,1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:3377 0 AMB 20-1:3377 5.50 (# 3377:20 Double Ambig)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1414,1545, 939,
igr2=1476,1477,1476,1477,1476,1477,1476,1477,
&end
#
# 0 AMB 20-2:3378 0 AMB 20-1:3378 4.50 (# 3378:20 Double Ambig)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 529, 475,
igr2= 581, 582, 581, 582,
&end
#
# 0 AMB 20-2:3379 36 PRO HB- 5.50 (# 3379:20 Single Ambig)
&rst
ixpk= 3379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 529, 475,
igr2= 581, 582,
&end
#
# 0 AMB 20-2:3380 8 PRO HB- 7.00 (# 3380:20 Single Ambig)
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 105, 185,
igr2= 125, 126,
&end
#
# 111 LYS HA 111 LYS HB- 4.50 (# 3381:20 Unique 2.28, 2.50 A)
&rst
ixpk= 3381, nxpk= 20, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1796,1797,
&end
#
# 0 AMB 20-2:3383 0 AMB 20-1:3383 4.50 (# 3383:20 Double Ambig)
&rst
ixpk= 3383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2222,2223, 644, 645,
igr2=2225,2226, 619, 620,
&end
#
# 0 AMB 20-2:3384 142 VAL HB 4.50 (# 3384:20 Single Ambig)
&rst
ixpk= 3384, nxpk= 20, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2228,2067,
&end
#
# 44 PHE HA 46 LYS HB- 5.50 (# 3385:20 Unique 4.50, 5.26 A)
&rst
ixpk= 3385, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 740, 741,
&end
#
# 28 ALA MB 25 ARG HB- 4.50 (# 3387:20 Unique 1.96, 4.23 A)
&rst
ixpk= 3387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 445, 446, 447,
igr2= 382, 383,
&end
#
# 0 AMB 20-2:3388 25 ARG HB- 4.50 (# 3388:20 Single Ambig)
&rst
ixpk= 3388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 382, 383,
&end
#
# 133 VAL HA 12 THR HB 5.50 (# 3389:20 Unique 1.98, 3.44 A)
&rst
ixpk= 3389, nxpk= 20, iat=2128, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 THR HA 12 THR HB 5.50 (# 3390:20 Unique 2.36, 2.58 A)
&rst
ixpk= 3390, nxpk= 20, iat= 185, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3391 93 VAL HB 4.50 (# 3391:20 Single Ambig)
&rst
ixpk= 3391, nxpk= 20, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1452,2199,2200,2144,
&end
#
# 0 AMB 20-2:3392 93 VAL HB 4.50 (# 3392:20 Single Ambig)
&rst
ixpk= 3392, nxpk= 20, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1490,1491,1492,2152,2153,2152,2153,
&end
#
# 0 AMB 20-2:3393 0 AMB 20-1:3393 5.50 (# 3393:20 Double Ambig)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1686,1687,1622,1623,
igr2=1672,1673,1672,1673,
&end
#
# 125 VAL HA 125 VAL HB 4.50 (# 3395:20 Unique 2.65, 2.87 A)
&rst
ixpk= 3395, nxpk= 20, iat=2024,2026, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3396 58 GLU HB- 4.50 (# 3396:20 Single Ambig)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 941, 932, 933,
igr2= 943, 944,
&end
#
# 37 SER HB+ 38 VAL HB 5.50 (# 3397:20 Unique 4.26, 5.27 A)
&rst
ixpk= 3397, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 121 LEU MDY 125 VAL HB 4.50 (# 3398:20 Unique 1.99, 5.14 A)
&rst
ixpk= 3398, nxpk= 20, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 146 VAL HA 149 ARG HB+ 5.50 (# 3400:20 Unique 2.62, 4.60 A)
&rst
ixpk= 3400, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2388,2389,
&end
#
# 93 VAL HA 93 VAL HB 4.50 (# 3401:20 Unique 2.71, 2.93 A)
&rst
ixpk= 3401, nxpk= 20, iat=1498,1500, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3402 0 AMB 20-1:3402 5.50 (# 3402:20 Double Ambig)
&rst
ixpk= 3402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1686,1687,1842,1843,1844,1821,1822,
igr2=1890,1891,1890,1891,1890,1891,
&end
#
# 35 TYR HA 40 GLU HB+ 5.50 (# 3403:20 Unique 1.95, 2.63 A)
&rst
ixpk= 3403, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 642,
&end
#
# 40 GLU HN 40 GLU HB+ 4.50 (# 3404:20 Unique 2.12, 2.91 A)
&rst
ixpk= 3404, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 641, 642,
&end
#
# 41 GLN HN 40 GLU HB+ 5.50 (# 3405:20 Unique 2.17, 3.07 A)
&rst
ixpk= 3405, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 642,
&end
#
# 41 GLN HN 40 GLU HB- 5.50 (# 3406:20 Unique 2.17, 3.07 A)
&rst
ixpk= 3406, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 642,
&end
#
# 0 AMB 20-2:3407 0 AMB 20-1:3407 5.50 (# 3407:20 Double Ambig)
&rst
ixpk= 3407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 575, 576, 575, 576, 654,
igr2= 641, 642, 641, 642, 641, 642,
&end
#
# 0 AMB 20-2:3408 0 AMB 20-1:3408 4.50 (# 3408:20 Double Ambig)
&rst
ixpk= 3408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1389,1390,1389,1390,1389,1390,
igr2=1374,1375,1374,1375,1374,1375,
&end
#
# 0 AMB 20-2:3411 0 AMB 20-1:3411 5.50 (# 3411:20 Double Ambig)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2319,2320,2319,2320,2319,2320,2388,2389,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 143 VAL MGX 0 AMB 20-1:3412 4.50 (# 3412:20 Single Ambig)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2288,2289,2290,2292,2293,2294,
igr2=2302,2303,2302,2303,
&end
#
# 147 ALA MB 0 AMB 20-1:3413 7.00 (# 3413:20 Single Ambig)
&rst
ixpk= 3413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2359,2360,2361,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:3414 0 AMB 20-1:3414 5.50 (# 3414:20 Double Ambig)
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2234,2317,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:3415 0 AMB 20-1:3415 4.50 (# 3415:20 Double Ambig)
&rst
ixpk= 3415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2282,1665,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 146 VAL HN 0 AMB 20-1:3416 5.50 (# 3416:20 Single Ambig)
&rst
ixpk= 3416, nxpk= 20, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2302,2303,2302,2303,
&end
#
# 87 GLU HB- 66 THR HB 5.50 (# 3418:20 Unique 2.86, 4.26 A)
&rst
ixpk= 3418, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1403,1404,
&end
#
# 14 LYS HN 0 AMB 20-1:3419 5.50 (# 3419:20 Single Ambig)
&rst
ixpk= 3419, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 223, 224, 223, 224,
&end
#
# 0 AMB 20-2:3420 109 VAL HB 5.50 (# 3420:20 Single Ambig)
&rst
ixpk= 3420, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1254,1258,1777,
&end
#
# 109 VAL HA 109 VAL HB 4.50 (# 3421:20 Unique 2.26, 2.57 A)
&rst
ixpk= 3421, nxpk= 20, iat=1763,1765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 ARG HD- 145 ARG HG- 4.50 (# 3422:20 Unique 2.27, 2.72 A)
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2325,2326,
igr2=2322,2323,
&end
#
# 0 AMB 20-2:3423 80 ILE HG1- 5.50 (# 3423:20 Single Ambig)
&rst
ixpk= 3423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1285,1076,
igr2=1311,1312,
&end
#
# 68 VAL HN 80 ILE HG1+ 5.50 (# 3424:20 Unique 3.97, 5.64 A)
&rst
ixpk= 3424, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1311,1312,
&end
#
# 81 GLY HN 80 ILE HG1+ 5.50 (# 3425:20 Unique 4.10, 4.87 A)
&rst
ixpk= 3425, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1311,1312,
&end
#
# 118 MET HN 0 AMB 20-1:3426 4.50 (# 3426:20 Single Ambig)
&rst
ixpk= 3426, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1936,1937,1936,1937,
&end
#
# 0 AMB 20-2:3427 0 AMB 20-1:3427 5.50 (# 3427:20 Double Ambig)
&rst
ixpk= 3427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1981,1989,1954,2384,
igr2=1936,1937,1936,1937,1936,1937,2322,2323,
&end
#
# 16 ILE HA 16 ILE HG1- 5.50 (# 3428:20 Unique 2.12, 2.59 A)
&rst
ixpk= 3428, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 255, 256,
&end
#
# 80 ILE HA 80 ILE HG1- 5.50 (# 3429:20 Unique 2.24, 3.06 A)
&rst
ixpk= 3429, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1311,1312,
&end
#
# 16 ILE HB 16 ILE HG1+ 4.50 (# 3430:20 Unique 2.48, 2.81 A)
&rst
ixpk= 3430, nxpk= 20, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 255, 256,
&end
#
# 45 GLU HN 45 GLU HB+ 5.50 (# 3431:20 Unique 2.32, 3.04 A)
&rst
ixpk= 3431, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 45 GLU HN 45 GLU HB- 4.50 (# 3432:20 Unique 2.32, 3.04 A)
&rst
ixpk= 3432, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 725, 726,
&end
#
# 98 PHE HB- 70 LYS HD- 5.50 (# 3433:20 Unique 2.32, 4.95 A)
&rst
ixpk= 3433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1579,1580,
igr2=1139,1140,
&end
#
# 74 ASP HN 73 ILE HG1- 5.50 (# 3434:20 Unique 3.98, 4.36 A)
&rst
ixpk= 3434, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1183,1184,
&end
#
# 0 AMB 20-2:3435 73 ILE HG1- 5.50 (# 3435:20 Single Ambig)
&rst
ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1749,1164,
igr2=1183,1184,
&end
#
# 0 AMB 20-2:3437 0 AMB 20-1:3437 5.50 (# 3437:20 Double Ambig)
&rst
ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.26, r4=13.76,
igr1=2302,2303,2302,2303,2325,2326,2325,2326,2302,2303,
2302,2303,1711,1712,
igr2=2236,2237,2236,2237,2253,2254,2253,2254,1652,1653,
1652,1653,1652,1653,
&end
#
# 55 THR MG2 54 ARG HB+ 7.00 (# 3439:20 Unique 2.71, 6.71 A)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 908, 909, 910,
igr2= 882, 883,
&end
#
# 98 PHE HD 70 LYS HD- 5.50 (# 3440:20 Unique 2.41, 5.04 A)
&rst
ixpk= 3440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1583,1591,
igr2=1139,1140,
&end
#
# 71 SER HN 70 LYS HD+ 5.50 (# 3441:20 Unique 1.99, 4.17 A)
&rst
ixpk= 3441, nxpk= 20, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1139,1140,
&end
#
# 0 AMB 20-2:3443 73 ILE HG1- 5.50 (# 3443:20 Single Ambig)
&rst
ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1781,1782,1765,
igr2=1183,1184,
&end
#
# 19 LEU HA 26 LEU HG 4.50 (# 3444:20 Unique 2.37, 3.38 A)
&rst
ixpk= 3444, nxpk= 20, iat= 304, 409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3447 34 THR HA 5.50 (# 3447:20 Single Ambig)
&rst
ixpk= 3447, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 529, 555,
&end
#
# 141 GLN HN 0 AMB 20-1:3449 2.80 (# 3449:20 Single Ambig)
&rst
ixpk= 3449, nxpk= 20, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2253,2254,2253,2254,2236,2237,
&end
#
# 109 VAL MGX 105 LEU HG 4.50 (# 3450:20 Unique 2.09, 5.06 A)
&rst
ixpk= 3450, nxpk= 20, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 41 GLN HN 41 GLN HB- 5.50 (# 3451:20 Unique 2.06, 2.80 A)
&rst
ixpk= 3451, nxpk= 20, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:3452 94 LEU HG 5.50 (# 3452:20 Single Ambig)
&rst
ixpk= 3452, nxpk= 20, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1471,1488,
&end
#
# 0 AMB 20-2:3453 0 AMB 20-1:3453 3.50 (# 3453:20 Double Ambig)
&rst
ixpk= 3453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1995, 584, 592, 593,
igr2=2000, 578, 579, 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:3454 143 VAL HA 4.50 (# 3454:20 Single Ambig)
&rst
ixpk= 3454, nxpk= 20, iat= -1,2284, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2286,1669,1670,1669,1670,
&end
#
# 96 CYS HB+ 93 VAL HA 5.50 (# 3455:20 Unique 1.93, 2.48 A)
&rst
ixpk= 3455, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1549,1550,
&end
#
# 0 AMB 20-2:3456 75 LEU HG 7.00 (# 3456:20 Single Ambig)
&rst
ixpk= 3456, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1763,1155,1156,1155,1156,
&end
#
# 0 AMB 20-2:3458 41 GLN HB- 5.50 (# 3458:20 Single Ambig)
&rst
ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 599,
igr2= 656, 657,
&end
#
# 19 LEU HN 19 LEU HG 4.50 (# 3459:20 Unique 1.89, 2.52 A)
&rst
ixpk= 3459, nxpk= 20, iat= 302, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HN 6 LEU HG 4.50 (# 3460:20 Unique 1.93, 3.79 A)
&rst
ixpk= 3460, nxpk= 20, iat= 84, 91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 LEU MDX 63 GLU HB+ 5.50 (# 3461:20 Unique 2.84, 6.65 A)
&rst
ixpk= 3461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1011,1012,1013,1015,1016,1017,
igr2=1025,1026,
&end
#
# 65 LEU MDY 63 GLU HB- 5.50 (# 3462:20 Unique 2.01, 4.68 A)
&rst
ixpk= 3462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1052,1053,1054,1056,1057,1058,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:3463 63 GLU HB- 5.50 (# 3463:20 Single Ambig)
&rst
ixpk= 3463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1006,1007,1006,1007, 832, 833,
igr2=1025,1026,
&end
#
# 76 TYR HN 75 LEU HG 5.50 (# 3464:20 Unique 2.66, 3.93 A)
&rst
ixpk= 3464, nxpk= 20, iat=1223,1211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3465 75 LEU HG 5.50 (# 3465:20 Single Ambig)
&rst
ixpk= 3465, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1192,1151, 321,
&end
#
# 0 AMB 20-2:3466 48 ILE HG1- 7.00 (# 3466:20 Single Ambig)
&rst
ixpk= 3466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 767, 768, 758,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:3467 0 AMB 20-1:3467 5.50 (# 3467:20 Double Ambig)
&rst
ixpk= 3467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 767, 768, 758,
igr2= 782, 783, 782, 783,
&end
#
# 0 AMB 20-2:3468 93 VAL HA 5.50 (# 3468:20 Single Ambig)
&rst
ixpk= 3468, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2199,2200,1547,
&end
#
# 143 VAL HN 143 VAL HA 5.50 (# 3469:20 Unique 2.73, 2.84 A)
&rst
ixpk= 3469, nxpk= 20, iat=2282,2284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 PHE HD 18 ILE HG1+ 5.50 (# 3470:20 Unique 1.99, 5.04 A)
&rst
ixpk= 3470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1252,1260,
igr2= 293, 294,
&end
#
# 44 PHE HD 65 LEU MDY 5.50 (# 3471:20 Unique 3.79, 7.11 A)
&rst
ixpk= 3471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 709, 717,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3472 0 AMB 20-1:3472 2.80 (# 3472:20 Double Ambig)
&rst
ixpk= 3472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1824,1825,1824,1825,
igr2=1821,1822,1821,1822,
&end
#
# 74 ASP HN 73 ILE HA 5.50 (# 3473:20 Unique 3.59, 3.61 A)
&rst
ixpk= 3473, nxpk= 20, iat=1192,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3475 0 AMB 20-1:3475 5.50 (# 3475:20 Double Ambig)
&rst
ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 932, 933, 932, 933, 932, 933, 592, 593,
igr2=1155,1156,1155,1156,1155,1156, 601,
&end
#
# 65 LEU HA 65 LEU HG 4.50 (# 3478:20 Unique 2.91, 3.10 A)
&rst
ixpk= 3478, nxpk= 20, iat=1045,1050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3479 121 LEU MDX 5.50 (# 3479:20 Single Ambig)
&rst
ixpk= 3479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=2024,1977,1978,1977,1978,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 121 LEU HB- 121 LEU MDX 2.80 (# 3480:20 Unique 2.12, 3.27 A)
&rst
ixpk= 3480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1958,1959,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 77 PHE HE 97 LEU MDX 5.50 (# 3482:20 Unique 2.00, 6.21 A)
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1254,1258,
igr2=1565,1566,1567,1569,1570,1571,
&end
#
# 49 PHE HE 19 LEU MDX 5.50 (# 3483:20 Unique 3.43, 7.87 A)
&rst
ixpk= 3483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 801, 805,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:3487 0 AMB 20-1:3487 5.50 (# 3487:20 Double Ambig)
&rst
ixpk= 3487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 676, 677,1133,1134,
igr2= 601,1155,1156,
&end
#
# 0 AMB 20-2:3488 135 LEU HG 4.50 (# 3488:20 Single Ambig)
&rst
ixpk= 3488, nxpk= 20, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2104,2105,2104,2105,
&end
#
# 0 AMB 20-2:3489 0 AMB 20-1:3489 5.50 (# 3489:20 Double Ambig)
&rst
ixpk= 3489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1910,1911,1433,
igr2=1857,1858,1859,1861,1862,1863,1459,1460,1461,1463,
1464,1465,
&end
#
# 0 AMB 20-2:3490 0 AMB 20-1:3490 3.50 (# 3490:20 Double Ambig)
&rst
ixpk= 3490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1993,1618,
igr2=2002,2003,2004,2006,2007,2008,1565,1566,1567,1569,
1570,1571,
&end
#
# 69 TYR HD 0 AMB 20-1:3491 5.50 (# 3491:20 Single Ambig)
&rst
ixpk= 3491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1116,1125,
igr2=1521,1522,1523,1525,1526,1527,1011,1012,1013,1015,
1016,1017,
&end
#
# 30 TYR HE 17 LEU MDX 5.50 (# 3492:20 Unique 1.97, 4.65 A)
&rst
ixpk= 3492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 483, 488,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 49 PHE HA 19 LEU MDX 5.50 (# 3493:20 Unique 4.15, 6.69 A)
&rst
ixpk= 3493, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 94 LEU HA 94 LEU MDX 4.50 (# 3494:20 Unique 2.34, 4.21 A)
&rst
ixpk= 3494, nxpk= 20, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 0 AMB 20-2:3495 0 AMB 20-1:3495 3.50 (# 3495:20 Double Ambig)
&rst
ixpk= 3495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1401,1452,1558,
igr2=1459,1460,1461,1463,1464,1465,1565,1566,1567,1569,
1570,1571,
&end
#
# 27 PHE HB- 114 LEU MDX 4.50 (# 3496:20 Unique 2.58, 5.82 A)
&rst
ixpk= 3496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 425, 426,
igr2=1857,1858,1859,1861,1862,1863,
&end
#
# 0 AMB 20-2:3497 0 AMB 20-1:3497 5.50 (# 3497:20 Double Ambig)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1922,1923,2042,2043,2042,2043,
igr2=1876,1877,1878,1880,1881,1882,2002,2003,2004,2006,
2007,2008,
&end
#
# 0 AMB 20-2:3498 17 LEU MDX 2.80 (# 3498:20 Single Ambig)
&rst
ixpk= 3498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1314,1315,1316, 239, 240, 241,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 48 ILE HG1+ 17 LEU MDX 4.50 (# 3499:20 Unique 2.26, 5.36 A)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 782, 783,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 26 LEU HA 26 LEU MDY 3.50 (# 3500:20 Unique 2.01, 3.99 A)
&rst
ixpk= 3500, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 70 LYS HA 94 LEU MDX 5.50 (# 3501:20 Unique 2.46, 5.23 A)
&rst
ixpk= 3501, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 80 ILE HA 90 LEU MDX 5.50 (# 3502:20 Unique 3.01, 5.75 A)
&rst
ixpk= 3502, nxpk= 20, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 16 ILE HA 17 LEU MDX 7.00 (# 3503:20 Unique 2.47, 4.91 A)
&rst
ixpk= 3503, nxpk= 20, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 0 AMB 20-2:3504 42 LYS HG- 3.50 (# 3504:20 Single Ambig)
&rst
ixpk= 3504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 673, 674, 673, 674,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:3506 0 AMB 20-1:3506 2.80 (# 3506:20 Double Ambig)
&rst
ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 628, 629, 628, 629,1805,1806,1805,1806, 388, 389,
igr2= 622, 623,1799,1800, 385, 386,
&end
#
# 35 TYR HN 36 PRO HA 5.50 (# 3507:20 Unique 4.06, 4.16 A)
&rst
ixpk= 3507, nxpk= 20, iat= 553, 584, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3508 0 AMB 20-1:3508 4.50 (# 3508:20 Double Ambig)
&rst
ixpk= 3508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2180,1983,1987,2119,1981,1989,
igr2=2170,2171,2172,2174,2175,2176, 458, 459, 458, 459,
&end
#
# 78 TYR HE 17 LEU MDX 7.00 (# 3509:20 Unique 3.42, 7.73 A)
&rst
ixpk= 3509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1274,1279,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 0 AMB 20-2:3510 0 AMB 20-1:3510 4.50 (# 3510:20 Double Ambig)
&rst
ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 762, 763, 762, 763, 762, 763, 815, 816,
igr2= 832, 833, 832, 833, 832, 833, 832, 833,
&end
#
# 48 ILE HA 0 AMB 20-1:3511 4.50 (# 3511:20 Single Ambig)
&rst
ixpk= 3511, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 832, 833, 832, 833,
&end
#
# 111 LYS HN 0 AMB 20-1:3512 5.50 (# 3512:20 Single Ambig)
&rst
ixpk= 3512, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 411, 412, 413, 415, 416, 417,1857,1858,1859,1861,
1862,1863,
&end
#
# 137 SER HN 137 SER HB+ 5.50 (# 3513:20 Unique 2.03, 3.28 A)
&rst
ixpk= 3513, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:3514 137 SER HB- 5.50 (# 3514:20 Single Ambig)
&rst
ixpk= 3514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2182,2163,
igr2=2199,2200,
&end
#
# 96 CYS HB+ 137 SER HB+ 5.50 (# 3516:20 Unique 2.60, 4.62 A)
&rst
ixpk= 3516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1549,1550,
igr2=2199,2200,
&end
#
# 70 LYS HB- 0 AMB 20-1:3517 5.50 (# 3517:20 Single Ambig)
&rst
ixpk= 3517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1133,1134,
igr2= 932, 933, 932, 933,
&end
#
# 0 AMB 20-2:3518 0 AMB 20-1:3518 2.80 (# 3518:20 Double Ambig)
&rst
ixpk= 3518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1213,1214,1215,1217,1218,1219,1963,1964,1965,1967,
1968,1969,1211, 296, 297, 298,
igr2= 411, 412, 413, 415, 416, 417,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 20-2:3519 111 LYS HG- 4.50 (# 3519:20 Single Ambig)
&rst
ixpk= 3519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 411, 412, 413, 415, 416, 417,1208,1209,1876,1877,
1878,1880,1881,1882,
igr2=1799,1800,
&end
#
# 73 ILE HN 72 SER HB- 5.50 (# 3520:20 Unique 2.61, 3.66 A)
&rst
ixpk= 3520, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1166,1167,
&end
#
# 73 ILE HN 72 SER HB+ 4.50 (# 3521:20 Unique 2.61, 3.66 A)
&rst
ixpk= 3521, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1166,1167,
&end
#
# 72 SER HN 72 SER HB+ 5.50 (# 3522:20 Unique 2.27, 3.20 A)
&rst
ixpk= 3522, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1166,1167,
&end
#
# 72 SER HN 72 SER HB- 4.50 (# 3523:20 Unique 2.27, 3.20 A)
&rst
ixpk= 3523, nxpk= 20, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1166,1167,
&end
#
# 0 AMB 20-2:3525 0 AMB 20-1:3525 5.50 (# 3525:20 Double Ambig)
&rst
ixpk= 3525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1359,1364,1254,1258,
igr2=1331,1332,1166,1167,
&end
#
# 0 AMB 20-2:3526 72 SER HB- 2.80 (# 3526:20 Single Ambig)
&rst
ixpk= 3526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1186,1187,1188,1139,1140,1136,1137,
igr2=1166,1167,
&end
#
# 0 AMB 20-2:3527 0 AMB 20-1:3527 4.50 (# 3527:20 Double Ambig)
&rst
ixpk= 3527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90,
igr1=1186,1187,1188, 152, 153, 154, 156, 157, 158,1459,
1460,1461,1463,1464,1465,1139,1140,1136,1137,
igr2=1166,1167,1331,1332,1166,1167,1166,1167,
&end
#
# 89 MET HG+ 82 SER HB+ 5.50 (# 3528:20 Unique 2.01, 6.31 A)
&rst
ixpk= 3528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1440,1441,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:3530 0 AMB 20-1:3530 5.50 (# 3530:20 Double Ambig)
&rst
ixpk= 3530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1359,1364,1254,1258,
igr2=1331,1332,1166,1167,
&end
#
# 0 AMB 20-2:3531 0 AMB 20-1:3531 5.50 (# 3531:20 Double Ambig)
&rst
ixpk= 3531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 811, 791,
igr2= 743, 744, 743, 744, 743, 744,
&end
#
# 112 ARG HN 75 LEU MDY 5.50 (# 3533:20 Unique 4.64, 6.85 A)
&rst
ixpk= 3533, nxpk= 20, iat=1814, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 0 AMB 20-2:3534 0 AMB 20-1:3534 2.80 (# 3534:20 Double Ambig)
&rst
ixpk= 3534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1068,1069,1070, 75, 76,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998, 55, 56, 57, 59, 60, 61,
&end
#
# 0 AMB 20-2:3535 34 THR HA 3.50 (# 3535:20 Single Ambig)
&rst
ixpk= 3535, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 543, 575, 576,
&end
#
# 0 AMB 20-2:3536 75 LEU MDY 2.80 (# 3536:20 Single Ambig)
&rst
ixpk= 3536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1796,1797,1855,1852,1853,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 117 ASN HD2- 105 LEU MDY 4.50 (# 3537:20 Unique 1.91, 3.28 A)
&rst
ixpk= 3537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1910,1911,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:3539 0 AMB 20-1:3539 5.50 (# 3539:20 Double Ambig)
&rst
ixpk= 3539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
igr1=1599,1600,1599,1600,2042,2043,2042,2043, 498, 499,
1268,1269,
igr2=2288,2289,2290,2292,2293,2294,1502,1503,1504,1506,
1507,1508,
&end
#
# 96 CYS HB- 93 VAL MGY 5.50 (# 3540:20 Unique 2.61, 5.07 A)
&rst
ixpk= 3540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1549,1550,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:3541 0 AMB 20-1:3541 4.50 (# 3541:20 Double Ambig)
&rst
ixpk= 3541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
igr2=1732,1733,1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:3542 0 AMB 20-1:3542 4.50 (# 3542:20 Double Ambig)
&rst
ixpk= 3542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1622,1623,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088,
igr2=1577, 774,
&end
#
# 0 AMB 20-2:3543 0 AMB 20-1:3543 5.50 (# 3543:20 Double Ambig)
&rst
ixpk= 3543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
igr1=1052,1053,1054,1056,1057,1058, 964, 965,1082,1083,
1084,1086,1087,1088,
igr2=1342,1343,1342,1343,1342,1343,
&end
#
# 130 ASP HN 134 ILE HA 4.50 (# 3544:20 Unique 2.79, 3.26 A)
&rst
ixpk= 3544, nxpk= 20, iat=2100,2144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HB 79 VAL HA 4.50 (# 3545:20 Unique 2.40, 2.99 A)
&rst
ixpk= 3545, nxpk= 20, iat=1289,1287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3546 0 AMB 20-1:3546 5.50 (# 3546:20 Double Ambig)
&rst
ixpk= 3546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1650,1667,1850,1166,1167,1620,
igr2=1732,1733,1732,1733,1732,1733,1732,1733,1732,1733,
1732,1733,
&end
#
# 81 GLY HN 65 LEU MDX 5.50 (# 3548:20 Unique 3.19, 7.29 A)
&rst
ixpk= 3548, nxpk= 20, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3549 0 AMB 20-1:3549 5.50 (# 3549:20 Double Ambig)
&rst
ixpk= 3549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1394,1395,1618,
igr2=1423,1424,1425,1427,1428,1429,1565,1566,1567,1569,
1570,1571,
&end
#
# 0 AMB 20-2:3550 0 AMB 20-1:3550 2.80 (# 3550:20 Double Ambig)
&rst
ixpk= 3550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1248,1249,1476,1477,1476,1477,
igr2=1136,1137,1521,1522,1523,1525,1526,1527,
&end
#
# 100 SER HA 100 SER HB+ 2.80 (# 3552:20 Unique 2.33, 2.81 A)
&rst
ixpk= 3552, nxpk= 20, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1611,1612,
&end
#
# 0 AMB 20-2:3554 0 AMB 20-1:3554 5.50 (# 3554:20 Double Ambig)
&rst
ixpk= 3554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2228,2219,2220,2067,
igr2=1547,2144,
&end
#
# 99 ASP HB+ 96 CYS HA 4.50 (# 3555:20 Unique 2.36, 3.67 A)
&rst
ixpk= 3555, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1599,1600,
&end
#
# 139 PRO HG+ 96 CYS HA 5.50 (# 3556:20 Unique 2.04, 4.68 A)
&rst
ixpk= 3556, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2222,2223,
&end
#
# 0 AMB 20-2:3557 13 VAL HA 4.50 (# 3557:20 Single Ambig)
&rst
ixpk= 3557, nxpk= 20, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1291,1292,1293,1295,1296,1297, 189, 190, 191, 258,
259, 260,
&end
#
# 103 GLN HE2+ 109 VAL MGY 5.50 (# 3558:20 Unique 6.39, 8.47 A)
&rst
ixpk= 3558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1660,1661,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:3559 0 AMB 20-1:3559 3.50 (# 3559:20 Double Ambig)
&rst
ixpk= 3559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2282, 162,
igr2=2272,2273,2274,2276,2277,2278,2132,2133,2134,2136,
2137,2138,
&end
#
# 0 AMB 20-2:3560 19 LEU MDY 4.50 (# 3560:20 Single Ambig)
&rst
ixpk= 3560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1272,1281, 799, 807,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 18 ILE HA 19 LEU MDY 5.50 (# 3561:20 Unique 2.48, 5.60 A)
&rst
ixpk= 3561, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 121 LEU HB+ 101 LEU MDY 4.50 (# 3562:20 Unique 1.98, 4.16 A)
&rst
ixpk= 3562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1958,1959,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 68 VAL HN 90 LEU MDY 5.50 (# 3563:20 Unique 2.16, 5.50 A)
&rst
ixpk= 3563, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 133 VAL HN 12 THR MG2 5.50 (# 3564:20 Unique 2.02, 4.76 A)
&rst
ixpk= 3564, nxpk= 20, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 189, 190, 191,
&end
#
# 17 LEU HA 28 ALA MB 4.50 (# 3565:20 Unique 2.10, 4.00 A)
&rst
ixpk= 3565, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 445, 446, 447,
&end
#
# 61 LEU HA 67 VAL MGY 5.50 (# 3566:20 Unique 2.50, 5.59 A)
&rst
ixpk= 3566, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3567 0 AMB 20-1:3567 5.50 (# 3567:20 Double Ambig)
&rst
ixpk= 3567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=2042,2043,2042,2043,2042,2043,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:3568 0 AMB 20-1:3568 4.50 (# 3568:20 Double Ambig)
&rst
ixpk= 3568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 164, 215,
igr2=2128, 199,
&end
#
# 12 THR HB 133 VAL HA 4.50 (# 3569:20 Unique 1.98, 3.44 A)
&rst
ixpk= 3569, nxpk= 20, iat= 187,2128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 VAL MGX 133 VAL HA 5.50 (# 3570:20 Unique 4.00, 6.35 A)
&rst
ixpk= 3570, nxpk= 20, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 48 ILE QG2 49 PHE HA 5.50 (# 3571:20 Unique 3.14, 4.21 A)
&rst
ixpk= 3571, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 778, 779, 780,
&end
#
# 132 GLY HA+ 13 VAL MGX 4.50 (# 3572:20 Unique 1.99, 5.34 A)
&rst
ixpk= 3572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2121,2122,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 135 LEU HB- 135 LEU MDY 2.80 (# 3573:20 Unique 1.99, 3.28 A)
&rst
ixpk= 3573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2165,2166,
igr2=2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 20-2:3574 90 LEU MDY 5.50 (# 3574:20 Single Ambig)
&rst
ixpk= 3574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1394,1395,1486,1349,
igr2=1459,1460,1461,1463,1464,1465,
&end
#
# 93 VAL HN 13 VAL MGX 5.50 (# 3575:20 Unique 4.68, 7.86 A)
&rst
ixpk= 3575, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 13 VAL HN 13 VAL MGX 5.50 (# 3576:20 Unique 2.03, 3.96 A)
&rst
ixpk= 3576, nxpk= 20, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:3577 0 AMB 20-1:3577 5.50 (# 3577:20 Double Ambig)
&rst
ixpk= 3577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1639,1066,1342,1343,1641,1642,
igr2=1767,1768,1769,1771,1772,1773,1459,1460,1461,1463,
1464,1465,
&end
#
# 0 AMB 20-2:3578 19 LEU MDY 4.50 (# 3578:20 Single Ambig)
&rst
ixpk= 3578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1268,1269, 370, 371,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:3579 13 VAL MGX 4.50 (# 3579:20 Single Ambig)
&rst
ixpk= 3579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1500,1440,1441,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:3580 52 THR MG2 5.50 (# 3580:20 Single Ambig)
&rst
ixpk= 3580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1108, 811, 791, 983,
igr2= 853, 854, 855,
&end
#
# 53 HIS HN 52 THR MG2 5.50 (# 3581:20 Unique 3.70, 4.91 A)
&rst
ixpk= 3581, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 853, 854, 855,
&end
#
# 77 PHE HE 101 LEU MDY 5.50 (# 3582:20 Unique 2.10, 5.82 A)
&rst
ixpk= 3582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1254,1258,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 76 TYR HD 52 THR MG2 5.50 (# 3583:20 Unique 3.76, 7.55 A)
&rst
ixpk= 3583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1231,1240,
igr2= 853, 854, 855,
&end
#
# 33 ASP HN 34 THR MG2 5.50 (# 3584:20 Unique 2.34, 5.34 A)
&rst
ixpk= 3584, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 545, 546, 547,
&end
#
# 0 AMB 20-2:3585 34 THR MG2 5.50 (# 3585:20 Single Ambig)
&rst
ixpk= 3585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 481, 490, 711, 715,
igr2= 545, 546, 547,
&end
#
# 58 GLU HN 55 THR MG2 5.50 (# 3586:20 Unique 2.61, 4.69 A)
&rst
ixpk= 3586, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 0 AMB 20-2:3587 109 VAL MGX 4.50 (# 3587:20 Single Ambig)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1850,1620,1166,1167,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 11 TYR HB+ 133 VAL MGX 4.50 (# 3588:20 Unique 2.82, 6.84 A)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 166, 167,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 129 VAL MGX 133 VAL MGX 5.50 (# 3589:20 Unique 4.86, 8.47 A)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2090,2091,2092,2094,2095,2096,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 129 VAL MGX 93 VAL MGX 4.50 (# 3590:20 Unique 2.03, 5.90 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2090,2091,2092,2094,2095,2096,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:3592 67 VAL MGX 5.50 (# 3592:20 Single Ambig)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1043, 235,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3593 67 VAL MGX 5.50 (# 3593:20 Single Ambig)
&rst
ixpk= 3593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1268,1269,1112,1113,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 48 ILE HN 44 PHE HA 5.50 (# 3594:20 Unique 4.06, 5.10 A)
&rst
ixpk= 3594, nxpk= 20, iat= 772, 703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLU HN 44 PHE HA 4.50 (# 3595:20 Unique 3.49, 3.58 A)
&rst
ixpk= 3595, nxpk= 20, iat= 721, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR HB 55 THR HA 3.50 (# 3596:20 Unique 2.28, 2.91 A)
&rst
ixpk= 3596, nxpk= 20, iat= 906, 904, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:3600 109 VAL MGX 5.50 (# 3600:20 Single Ambig)
&rst
ixpk= 3600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1183,1184,1732,1733,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:3601 87 GLU HA 5.50 (# 3601:20 Single Ambig)
&rst
ixpk= 3601, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1433,1370,
&end
#
# 86 ASN HA 87 GLU HA 5.50 (# 3602:20 Unique 4.40, 4.74 A)
&rst
ixpk= 3602, nxpk= 20, iat=1387,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3603 119 GLU HA 5.50 (# 3603:20 Single Ambig)
&rst
ixpk= 3603, nxpk= 20, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1949,1950,1949,1950,
&end
#
# 0 AMB 20-2:3605 0 AMB 20-1:3605 5.50 (# 3605:20 Double Ambig)
&rst
ixpk= 3605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 622, 623,2016,2017,2018,1958,1959, 455, 456, 679,
680,
igr2= 639,1975,
&end
#
# 0 AMB 20-2:3606 40 GLU HA 5.50 (# 3606:20 Single Ambig)
&rst
ixpk= 3606, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 625, 626, 619, 620, 673, 674, 673, 674,
&end
#
# 59 ILE HN 59 ILE HA 4.50 (# 3607:20 Unique 2.23, 2.77 A)
&rst
ixpk= 3607, nxpk= 20, iat= 954, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HD 68 VAL HA 5.50 (# 3608:20 Unique 3.07, 5.24 A)
&rst
ixpk= 3608, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1125,
&end
#
# 68 VAL HN 80 ILE QG2 5.50 (# 3609:20 Unique 5.49, 6.64 A)
&rst
ixpk= 3609, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:3610 80 ILE QG2 5.50 (# 3610:20 Single Ambig)
&rst
ixpk= 3610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 985, 237,
igr2=1307,1308,1309,
&end
#
# 0 AMB 20-2:3611 0 AMB 20-1:3611 4.50 (# 3611:20 Double Ambig)
&rst
ixpk= 3611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 691,1954,
igr2= 639,1975,
&end
#
# 35 TYR HD 40 GLU HA 5.50 (# 3612:20 Unique 2.10, 5.24 A)
&rst
ixpk= 3612, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 570,
&end
#
# 84 TYR HD 83 SER HA 7.00 (# 3614:20 Unique 3.24, 5.06 A)
&rst
ixpk= 3614, nxpk= 20, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1357,1366,
&end
#
# 0 AMB 20-2:3616 113 ALA MB 4.50 (# 3616:20 Single Ambig)
&rst
ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1893,1894,1905,1906,
igr2=1842,1843,1844,
&end
#
# 82 SER HB+ 83 SER HA 5.50 (# 3617:20 Unique 3.65, 4.88 A)
&rst
ixpk= 3617, nxpk= 20, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1331,1332,
&end
#
# 82 SER HB+ 82 SER HA 4.50 (# 3618:20 Unique 2.26, 2.71 A)
&rst
ixpk= 3618, nxpk= 20, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1331,1332,
&end
#
# 0 AMB 20-2:3619 82 SER HA 5.50 (# 3619:20 Single Ambig)
&rst
ixpk= 3619, nxpk= 20, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1047,1048, 223, 224, 223, 224, 220, 221, 220, 221,
&end
#
# 0 AMB 20-2:3621 144 HIS HA 5.50 (# 3621:20 Single Ambig)
&rst
ixpk= 3621, nxpk= 20, iat= -1,2300, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=2286,1669,1670,1669,1670,2236,2237,
&end
#
# 0 AMB 20-2:3622 0 AMB 20-1:3622 5.50 (# 3622:20 Double Ambig)
&rst
ixpk= 3622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1993,1618,
igr2=1956,1558,
&end
#
# 0 AMB 20-2:3624 0 AMB 20-1:3624 5.50 (# 3624:20 Double Ambig)
&rst
ixpk= 3624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2228,1471,2067,2219,2220,1597,
igr2=1558,1514,
&end
#
# 0 AMB 20-2:3625 0 AMB 20-1:3625 5.50 (# 3625:20 Double Ambig)
&rst
ixpk= 3625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1577,2024,1977,1978,1977,1978,
igr2=1558,1956,
&end
#
# 0 AMB 20-2:3626 0 AMB 20-1:3626 2.80 (# 3626:20 Double Ambig)
&rst
ixpk= 3626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1423,1424,1425,1427,1428,1429,1423,1424,1425,1427,
1428,1429,1876,1877,1878,1880,1881,1882,1876,1877,
1878,1880,1881,1882,1857,1858,1859,1861,1862,1863,
411, 412, 413, 415, 416, 417,
igr2=1416,1869,
&end
#
# 145 ARG HN 147 ALA MB 5.50 (# 3627:20 Unique 4.44, 5.79 A)
&rst
ixpk= 3627, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2359,2360,2361,
&end
#
# 143 VAL HA 147 ALA MB 5.50 (# 3628:20 Unique 3.87, 5.97 A)
&rst
ixpk= 3628, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2359,2360,2361,
&end
#
# 0 AMB 20-2:3629 144 HIS HA 5.50 (# 3629:20 Single Ambig)
&rst
ixpk= 3629, nxpk= 20, iat= -1,2300, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=2286,1669,1670,1669,1670,2236,2237,
&end
#
# 0 AMB 20-2:3630 57 SER HA 5.50 (# 3630:20 Single Ambig)
&rst
ixpk= 3630, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 946, 947, 943, 944,
&end
#
# 32 ASP HN 30 TYR HA 5.50 (# 3631:20 Unique 3.17, 3.72 A)
&rst
ixpk= 3631, nxpk= 20, iat= 515, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3632 0 AMB 20-1:3632 5.50 (# 3632:20 Double Ambig)
&rst
ixpk= 3632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1155,1156,1155,1156,1175, 543,
igr2=1164, 475,
&end
#
# 114 LEU HB- 114 LEU HA 2.80 (# 3633:20 Unique 2.34, 2.78 A)
&rst
ixpk= 3633, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1852,1853,
&end
#
# 0 AMB 20-2:3635 43 ALA MB 5.50 (# 3635:20 Single Ambig)
&rst
ixpk= 3635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 654, 601,
igr2= 695, 696, 697,
&end
#
# 93 VAL HB 128 ILE QG2 5.50 (# 3636:20 Unique 4.68, 5.28 A)
&rst
ixpk= 3636, nxpk= 20, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:3637 48 ILE QG2 5.50 (# 3637:20 Single Ambig)
&rst
ixpk= 3637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 268, 269, 829, 830, 306, 307,
igr2= 778, 779, 780,
&end
#
# 20 ASP HN 25 ARG HA 5.50 (# 3638:20 Unique 3.24, 3.98 A)
&rst
ixpk= 3638, nxpk= 20, iat= 321, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 SER HB- 72 SER HA 4.50 (# 3639:20 Unique 2.32, 2.74 A)
&rst
ixpk= 3639, nxpk= 20, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1166,1167,
&end
#
# 0 AMB 20-2:3640 101 LEU HA 2.80 (# 3640:20 Single Ambig)
&rst
ixpk= 3640, nxpk= 20, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1627,1628,1629,1631,1632,1633,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,
&end
#
# 109 VAL MGX 101 LEU HA 5.50 (# 3641:20 Unique 3.59, 6.10 A)
&rst
ixpk= 3641, nxpk= 20, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:3642 43 ALA MB 4.50 (# 3642:20 Single Ambig)
&rst
ixpk= 3642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 652, 615,
igr2= 695, 696, 697,
&end
#
# 8 PRO HD+ 5 ILE QG2 5.50 (# 3643:20 Unique 1.97, 3.43 A)
&rst
ixpk= 3643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 119, 120,
igr2= 71, 72, 73,
&end
#
# 105 LEU HN 101 LEU HA 4.50 (# 3644:20 Unique 3.16, 3.48 A)
&rst
ixpk= 3644, nxpk= 20, iat=1682,1620, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 ASN HA 116 GLU HA 5.50 (# 3645:20 Unique 4.48, 4.54 A)
&rst
ixpk= 3645, nxpk= 20, iat=1903,1888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3646 101 LEU HA 5.50 (# 3646:20 Single Ambig)
&rst
ixpk= 3646, nxpk= 20, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1611,1612,1949,1950,1949,1950,
&end
#
# 110 GLU HG- 73 ILE QG2 4.50 (# 3649:20 Unique 3.53, 5.09 A)
&rst
ixpk= 3649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1784,1785,
igr2=1179,1180,1181,
&end
#
# 86 ASN HD2+ 89 MET ME 5.50 (# 3650:20 Unique 1.94, 5.35 A)
&rst
ixpk= 3650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1394,1395,
igr2=1444,1445,1446,
&end
#
# 0 AMB 20-2:3651 89 MET ME 5.50 (# 3651:20 Single Ambig)
&rst
ixpk= 3651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2126,1450,
igr2=1444,1445,1446,
&end
#
# 84 TYR HE 89 MET ME 5.50 (# 3652:20 Unique 2.03, 5.73 A)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1359,1364,
igr2=1444,1445,1446,
&end
#
# 18 ILE QG2 118 MET ME 5.50 (# 3654:20 Unique 4.24, 6.44 A)
&rst
ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 289, 290, 291,
igr2=1926,1927,1928,
&end
#
# 18 ILE QG2 16 ILE QG2 7.00 (# 3657:20 Unique 5.41, 6.71 A)
&rst
ixpk= 3657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 289, 290, 291,
igr2= 251, 252, 253,
&end
#
# 46 LYS HN 47 ASN HA 7.00 (# 3659:20 Unique 4.76, 5.09 A)
&rst
ixpk= 3659, nxpk= 20, iat= 736, 760, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 TYR HB- 29 LYS HA 5.50 (# 3660:20 Unique 4.11, 4.94 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 29 LYS HE+ 29 LYS HA 5.50 (# 3661:20 Unique 2.02, 2.69 A)
&rst
ixpk= 3661, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 464, 465,
&end
#
# 30 TYR HB+ 29 LYS HA 5.50 (# 3662:20 Unique 4.11, 4.94 A)
&rst
ixpk= 3662, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 3 ALA MB 2 GLU HA 5.50 (# 3663:20 Unique 3.88, 4.99 A)
&rst
ixpk= 3663, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 40, 41, 42,
&end
#
# 0 AMB 20-2:3666 26 LEU HA 7.00 (# 3666:20 Single Ambig)
&rst
ixpk= 3666, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1871,1872, 382, 383,
&end
#
# 0 AMB 20-2:3667 124 ALA HA 5.50 (# 3667:20 Single Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1676,1677,1678,1625,
&end
#
# 0 AMB 20-2:3668 0 AMB 20-1:3668 4.50 (# 3668:20 Double Ambig)
&rst
ixpk= 3668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2187,2188,2187,2188, 25, 26,
igr2=2182, 23,
&end
#
# 93 VAL HN 92 ALA HA 4.50 (# 3669:20 Unique 3.60, 3.63 A)
&rst
ixpk= 3669, nxpk= 20, iat=1496,1488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LEU HN 18 ILE QD1 5.50 (# 3672:20 Unique 2.72, 5.03 A)
&rst
ixpk= 3672, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 19 LEU HN 18 ILE QD1 5.50 (# 3673:20 Unique 4.04, 6.06 A)
&rst
ixpk= 3673, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 77 PHE HA 18 ILE QD1 4.50 (# 3674:20 Unique 2.00, 4.34 A)
&rst
ixpk= 3674, nxpk= 20, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 296, 297, 298,
&end
#
# 17 LEU HA 18 ILE QD1 5.50 (# 3675:20 Unique 3.61, 5.34 A)
&rst
ixpk= 3675, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 296, 297, 298,
&end
#
# 22 ASP HN 21 ASN HA 5.50 (# 3677:20 Unique 2.56, 2.89 A)
&rst
ixpk= 3677, nxpk= 20, iat= 347, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLY HN 21 ASN HA 5.50 (# 3678:20 Unique 3.65, 4.19 A)
&rst
ixpk= 3678, nxpk= 20, iat= 359, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3679 0 AMB 20-1:3679 5.50 (# 3679:20 Double Ambig)
&rst
ixpk= 3679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 110, 111, 110, 111,1096,
igr2= 86,1131,
&end
#
# 0 AMB 20-2:3680 35 TYR HA 4.50 (# 3680:20 Single Ambig)
&rst
ixpk= 3680, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 644, 645, 557, 558,
&end
#
# 0 AMB 20-2:3681 35 TYR HA 5.50 (# 3681:20 Single Ambig)
&rst
ixpk= 3681, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 578, 579, 578, 579, 581, 582,
&end
#
# 0 AMB 20-2:3682 80 ILE QD1 7.00 (# 3682:20 Single Ambig)
&rst
ixpk= 3682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.63, r4=12.13,
igr1=1002, 983, 494,1062,1108, 473, 791,
igr2=1314,1315,1316,
&end
#
# 93 VAL HN 134 ILE QD1 5.50 (# 3683:20 Unique 3.24, 5.45 A)
&rst
ixpk= 3683, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2155,2156,2157,
&end
#
# 45 GLU HG+ 80 ILE QD1 5.50 (# 3684:20 Unique 4.96, 6.83 A)
&rst
ixpk= 3684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 728, 729,
igr2=1314,1315,1316,
&end
#
# 116 GLU HG- 113 ALA HA 4.50 (# 3685:20 Unique 1.88, 2.84 A)
&rst
ixpk= 3685, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1893,1894,
&end
#
# 0 AMB 20-2:3686 113 ALA HA 4.50 (# 3686:20 Single Ambig)
&rst
ixpk= 3686, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1818,1819,1784,1785,1871,1872,
&end
#
# 0 AMB 20-2:3687 134 ILE QD1 4.50 (# 3687:20 Single Ambig)
&rst
ixpk= 3687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2163,2182,1435,
igr2=2155,2156,2157,
&end
#
# 0 AMB 20-2:3688 24 ASP HA 4.50 (# 3688:20 Single Ambig)
&rst
ixpk= 3688, nxpk= 20, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 321, 391,
&end
#
# 0 AMB 20-2:3689 35 TYR HA 2.80 (# 3689:20 Single Ambig)
&rst
ixpk= 3689, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:3690 7 GLU HA 2.80 (# 3690:20 Single Ambig)
&rst
ixpk= 3690, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 119, 120, 119, 120,
&end
#
# 0 AMB 20-2:3691 113 ALA HA 4.50 (# 3691:20 Single Ambig)
&rst
ixpk= 3691, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
&end
#
# 0 AMB 20-2:3692 59 ILE QD1 5.50 (# 3692:20 Single Ambig)
&rst
ixpk= 3692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1416,1322,1323,
igr2= 967, 968, 969,
&end
#
# 0 AMB 20-2:3696 147 ALA HA 7.00 (# 3696:20 Single Ambig)
&rst
ixpk= 3696, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2339,1682,
&end
#
# 0 AMB 20-2:3697 108 ASN HA 4.50 (# 3697:20 Single Ambig)
&rst
ixpk= 3697, nxpk= 20, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1767,1768,1769,1771,1772,1773,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:3699 108 ASN HA 4.50 (# 3699:20 Single Ambig)
&rst
ixpk= 3699, nxpk= 20, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1729,1730,1781,1782,1765,
&end
#
# 0 AMB 20-2:3700 130 ASP HA 3.50 (# 3700:20 Single Ambig)
&rst
ixpk= 3700, nxpk= 20, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2104,2105,2104,2105,
&end
#
# 117 ASN HB+ 117 ASN HA 2.80 (# 3701:20 Unique 2.35, 2.58 A)
&rst
ixpk= 3701, nxpk= 20, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1905,1906,
&end
#
# 0 AMB 20-2:3702 5 ILE QD1 5.50 (# 3702:20 Single Ambig)
&rst
ixpk= 3702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 48, 128,
igr2= 78, 79, 80,
&end
#
# 0 AMB 20-2:3703 20 ASP HA 5.50 (# 3703:20 Single Ambig)
&rst
ixpk= 3703, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,1208,1209,
&end
#
# 139 PRO HB- 139 PRO HD+ 5.50 (# 3704:20 Unique 3.53, 3.89 A)
&rst
ixpk= 3704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225,2226,
igr2=2219,2220,
&end
#
# 138 ASP HB+ 138 ASP HA 4.50 (# 3709:20 Unique 2.27, 2.75 A)
&rst
ixpk= 3709, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2210,2211,
&end
#
# 138 ASP HB- 138 ASP HA 3.50 (# 3710:20 Unique 2.27, 2.75 A)
&rst
ixpk= 3710, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2210,2211,
&end
#
# 129 VAL MGX 133 VAL MGY 5.50 (# 3711:20 Unique 4.86, 8.47 A)
&rst
ixpk= 3711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2090,2091,2092,2094,2095,2096,
igr2=2132,2133,2134,2136,2137,2138,
&end
#
# 70 LYS HB- 0 AMB 20-1:3712 5.50 (# 3712:20 Single Ambig)
&rst
ixpk= 3712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1133,1134,
igr2= 932, 933, 932, 933,
&end
#
# 65 LEU MDY 63 GLU HB+ 5.50 (# 3713:20 Unique 2.01, 4.68 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1052,1053,1054,1056,1057,1058,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:3714 0 AMB 20-1:3714 5.50 (# 3714:20 Double Ambig)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2234,2317,
igr2=2302,2303,2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:3715 138 ASP HA 7.00 (# 3715:20 Single Ambig)
&rst
ixpk= 3715, nxpk= 20, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2256,2257,2239,2240,
&end
#
# 0 AMB 20-2:3716 40 GLU HA 5.50 (# 3716:20 Single Ambig)
&rst
ixpk= 3716, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 625, 626, 619, 620, 676, 677, 656, 657,
&end
#
# 0 AMB 20-2:3719 111 LYS HA 5.50 (# 3719:20 Single Ambig)
&rst
ixpk= 3719, nxpk= 20, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1781,1782, 370, 371,
&end
#
# 0 AMB 20-2:3720 0 AMB 20-1:3720 4.50 (# 3720:20 Double Ambig)
&rst
ixpk= 3720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2268,2024,
igr2=2288,2289,2290,2292,2293,2294,1502,1503,1504,1506,
1507,1508,
&end
#
# 0 AMB 20-2:3721 0 AMB 20-1:3721 3.50 (# 3721:20 Double Ambig)
&rst
ixpk= 3721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2210,2211,2210,2211, 723,2325,2326,
igr2=2253,2254,2253,2254, 725, 726,
&end
#
# 45 GLU HN 45 GLU HB+ 5.50 (# 3722:20 Unique 2.32, 3.04 A)
&rst
ixpk= 3722, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:3723 25 ARG HB- 5.50 (# 3723:20 Single Ambig)
&rst
ixpk= 3723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 382, 383,
&end
#
# 0 AMB 20-2:3725 0 AMB 20-1:3725 5.50 (# 3725:20 Double Ambig)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1183,1184,1732,1733,1732,1733,
igr2=1751,1752,1751,1752,1751,1752,
&end
#
# 49 PHE HA 0 AMB 20-1:3726 5.50 (# 3726:20 Single Ambig)
&rst
ixpk= 3726, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 795, 796, 795, 796,
&end
#
# 137 SER HA 137 SER HB+ 2.80 (# 3729:20 Unique 2.26, 2.55 A)
&rst
ixpk= 3729, nxpk= 20, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2199,2200,
&end
#
# 95 ASN HD2- 0 AMB 20-1:3732 5.50 (# 3732:20 Single Ambig)
&rst
ixpk= 3732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1540,1541,
igr2=1473,1474,1473,1474,
&end
#
# 0 AMB 20-2:3734 0 AMB 20-1:3734 4.50 (# 3734:20 Double Ambig)
&rst
ixpk= 3734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1893,1894,1893,1894,1196,1197,
igr2=1824,1825,1824,1825,1824,1825,
&end
#
# 41 GLN HA 44 PHE HB+ 7.00 (# 3735:20 Unique 2.40, 3.44 A)
&rst
ixpk= 3735, nxpk= 20, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 705, 706,
&end
#
# 70 LYS HA 70 LYS HG+ 5.50 (# 3736:20 Unique 3.05, 3.67 A)
&rst
ixpk= 3736, nxpk= 20, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1136,1137,
&end
#
# 83 SER HA 66 THR HB 7.00 (# 3738:20 Unique 2.99, 4.40 A)
&rst
ixpk= 3738, nxpk= 20, iat=1340,1066, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:3740 124 ALA MB 5.50 (# 3740:20 Single Ambig)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1954,1981,1989,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:3742 0 AMB 20-1:3742 7.00 (# 3742:20 Double Ambig)
&rst
ixpk= 3742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.47, r4=14.97,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
igr2=1196,1197,1196,1197,1196,1197,
&end
#
# 49 PHE HE 23 GLY HA+ 5.50 (# 3743:20 Unique 3.50, 6.45 A)
&rst
ixpk= 3743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 801, 805,
igr2= 361, 362,
&end
#
# 40 GLU HN 36 PRO HD+ 5.50 (# 3745:20 Unique 5.79, 6.57 A)
&rst
ixpk= 3745, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:3746 16 ILE QG2 4.50 (# 3746:20 Single Ambig)
&rst
ixpk= 3746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 443,1287,
igr2= 251, 252, 253,
&end
#
# 0 AMB 20-2:3748 78 TYR HA 5.50 (# 3748:20 Single Ambig)
&rst
ixpk= 3748, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1311,1312,1133,1134, 309, 964, 965,
&end
#
# 95 ASN HD2- 92 ALA MB 5.50 (# 3749:20 Unique 4.74, 7.65 A)
&rst
ixpk= 3749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1540,1541,
igr2=1490,1491,1492,
&end
#
# 49 PHE HD 53 HIS HA 7.00 (# 3750:20 Unique 2.76, 6.32 A)
&rst
ixpk= 3750, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 799, 807,
&end
#
# 0 AMB 20-2:3751 0 AMB 20-1:3751 5.50 (# 3751:20 Double Ambig)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 84, 132,
igr2= 122, 123, 122, 123, 122, 123,
&end
#
# 111 LYS HN 111 LYS HB+ 5.50 (# 3752:20 Unique 2.14, 2.88 A)
&rst
ixpk= 3752, nxpk= 20, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1796,1797,
&end
#
# 37 SER HB+ 39 LYS HB- 5.50 (# 3753:20 Unique 3.49, 5.00 A)
&rst
ixpk= 3753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 592, 593,
igr2= 619, 620,
&end
#
# 78 TYR HB- 17 LEU HB- 5.50 (# 3754:20 Unique 2.00, 4.19 A)
&rst
ixpk= 3754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1268,1269,
igr2= 268, 269,
&end
#
# 17 LEU HN 17 LEU HB+ 5.50 (# 3755:20 Unique 3.02, 3.61 A)
&rst
ixpk= 3755, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 268, 269,
&end
#
# 0 AMB 20-2:3757 20 ASP HA 5.50 (# 3757:20 Single Ambig)
&rst
ixpk= 3757, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 347, 421,
&end
#
# 18 ILE QG2 19 LEU HA 5.50 (# 3758:20 Unique 3.96, 5.21 A)
&rst
ixpk= 3758, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 29 LYS HN 17 LEU HA 4.50 (# 3760:20 Unique 3.27, 3.53 A)
&rst
ixpk= 3760, nxpk= 20, iat= 451, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HN 18 ILE HA 4.50 (# 3762:20 Unique 2.83, 2.92 A)
&rst
ixpk= 3762, nxpk= 20, iat= 283, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3763 36 PRO HD- 5.50 (# 3763:20 Single Ambig)
&rst
ixpk= 3763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 592, 593, 584,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:3764 0 AMB 20-1:3764 7.00 (# 3764:20 Double Ambig)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 592, 593, 584,
igr2= 575, 576, 575, 576,
&end
#
# 110 GLU HA 73 ILE QD1 4.50 (# 3765:20 Unique 1.99, 3.23 A)
&rst
ixpk= 3765, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1186,1187,1188,
&end
#
# 74 ASP HB+ 74 ASP HA 4.50 (# 3766:20 Unique 2.43, 2.81 A)
&rst
ixpk= 3766, nxpk= 20, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 74 ASP HB- 74 ASP HA 4.50 (# 3767:20 Unique 2.43, 2.81 A)
&rst
ixpk= 3767, nxpk= 20, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 0 AMB 20-2:3768 86 ASN HA 5.50 (# 3768:20 Single Ambig)
&rst
ixpk= 3768, nxpk= 20, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1377,1378,1377,1378,
&end
#
# 0 AMB 20-2:3769 113 ALA HA 7.00 (# 3769:20 Single Ambig)
&rst
ixpk= 3769, nxpk= 20, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1738,1739,1738,1739,
&end
#
# 127 GLU HG- 124 ALA HA 5.50 (# 3771:20 Unique 2.07, 4.27 A)
&rst
ixpk= 3771, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2057,2058,
&end
#
# 11 TYR HB+ 89 MET ME 5.50 (# 3773:20 Unique 2.02, 5.25 A)
&rst
ixpk= 3773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 166, 167,
igr2=1444,1445,1446,
&end
#
# 0 AMB 20-2:3774 124 ALA MB 7.00 (# 3774:20 Single Ambig)
&rst
ixpk= 3774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=2067,1995,2357,
igr2=2016,2017,2018,
&end
#
# 0 AMB 20-2:3775 5 ILE QG2 4.50 (# 3775:20 Single Ambig)
&rst
ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 122, 123, 122, 123,
igr2= 71, 72, 73,
&end
#
# 0 AMB 20-2:3777 0 AMB 20-1:3777 5.50 (# 3777:20 Double Ambig)
&rst
ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 406, 407, 385, 386,1133,1134, 268, 269, 271, 255,
256,
igr2= 423,1164, 475,
&end
#
# 128 ILE HA 128 ILE QG2 3.50 (# 3778:20 Unique 2.44, 3.29 A)
&rst
ixpk= 3778, nxpk= 20, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:3779 128 ILE QG2 4.50 (# 3779:20 Single Ambig)
&rst
ixpk= 3779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1558,1514,
igr2=2071,2072,2073,
&end
#
# 97 LEU HN 128 ILE QG2 4.50 (# 3780:20 Unique 3.24, 4.38 A)
&rst
ixpk= 3780, nxpk= 20, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:3781 0 AMB 20-1:3781 5.50 (# 3781:20 Double Ambig)
&rst
ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 498, 499, 519, 520,1922,1923,1227,1228,1227,1228,
igr2= 475, 423,1164,
&end
#
# 42 LYS HE+ 39 LYS HA 4.50 (# 3783:20 Unique 2.03, 3.66 A)
&rst
ixpk= 3783, nxpk= 20, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 682, 683,
&end
#
# 108 ASN HB+ 109 VAL MGX 7.00 (# 3784:20 Unique 2.67, 6.31 A)
&rst
ixpk= 3784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1751,1752,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 48 ILE HG1+ 67 VAL MGX 4.50 (# 3785:20 Unique 3.47, 6.19 A)
&rst
ixpk= 3785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 782, 783,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 69 TYR HD 67 VAL MGX 5.50 (# 3786:20 Unique 3.31, 7.15 A)
&rst
ixpk= 3786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1116,1125,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 98 PHE HA 101 LEU MDY 5.50 (# 3787:20 Unique 2.01, 4.68 A)
&rst
ixpk= 3787, nxpk= 20, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 20-2:3788 67 VAL MGY 7.00 (# 3788:20 Single Ambig)
&rst
ixpk= 3788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1264, 213,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3789 109 VAL MGY 5.50 (# 3789:20 Single Ambig)
&rst
ixpk= 3789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1725,1747,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 20-2:3790 0 AMB 20-1:3790 4.50 (# 3790:20 Double Ambig)
&rst
ixpk= 3790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2268,1977,1978,1977,1978,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 0 AMB 20-2:3792 0 AMB 20-1:3792 4.50 (# 3792:20 Double Ambig)
&rst
ixpk= 3792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 421,1043, 378,
igr2= 445, 446, 447,1068,1069,1070,
&end
#
# 60 ALA MB 52 THR HA 5.50 (# 3793:20 Unique 1.99, 4.07 A)
&rst
ixpk= 3793, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 977, 978, 979,
&end
#
# 138 ASP HB+ 142 VAL MGX 7.00 (# 3794:20 Unique 1.99, 6.40 A)
&rst
ixpk= 3794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2210,2211,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 0 AMB 20-2:3795 142 VAL MGX 5.50 (# 3795:20 Single Ambig)
&rst
ixpk= 3795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2014,1611,1612,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 143 VAL HA 142 VAL MGX 4.50 (# 3797:20 Unique 3.17, 5.33 A)
&rst
ixpk= 3797, nxpk= 20, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 103 GLN HG- 143 VAL MGY 3.50 (# 3798:20 Unique 1.99, 4.55 A)
&rst
ixpk= 3798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1655,1656,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 94 LEU HN 93 VAL MGY 4.50 (# 3799:20 Unique 2.05, 4.34 A)
&rst
ixpk= 3799, nxpk= 20, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 20-2:3801 0 AMB 20-1:3801 5.50 (# 3801:20 Double Ambig)
&rst
ixpk= 3801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 762, 763, 762, 763, 815, 816, 795, 796, 795, 796,
1599,1600,
igr2= 774,1577,
&end
#
# 0 AMB 20-2:3802 105 LEU MDY 4.50 (# 3802:20 Single Ambig)
&rst
ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1639,1949,1950,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:3804 128 ILE HA 5.50 (# 3804:20 Single Ambig)
&rst
ixpk= 3804, nxpk= 20, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2165,2166,1560,1561,
&end
#
# 27 PHE HB- 121 LEU MDY 7.00 (# 3805:20 Unique 2.39, 4.87 A)
&rst
ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 425, 426,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:3806 121 LEU MDY 4.50 (# 3806:20 Single Ambig)
&rst
ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1949,1950,1949,1950,2014,1794,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 67 VAL HN 0 AMB 20-1:3807 4.50 (# 3807:20 Single Ambig)
&rst
ixpk= 3807, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 48 ILE QD1 19 LEU MDX 5.50 (# 3809:20 Unique 5.49, 8.01 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 785, 786, 787,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 20-2:3810 19 LEU MDX 5.50 (# 3810:20 Single Ambig)
&rst
ixpk= 3810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 289, 290, 291, 782, 783,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 39 LYS HG- 39 LYS HB- 2.80 (# 3814:20 Unique 2.27, 2.74 A)
&rst
ixpk= 3814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 622, 623,
igr2= 619, 620,
&end
#
# 0 AMB 20-2:3815 0 AMB 20-1:3815 3.50 (# 3815:20 Double Ambig)
&rst
ixpk= 3815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1421, 958,
igr2=1406,1407,1406,1407,1406,1407,
&end
#
# 118 MET HA 121 LEU HB- 5.50 (# 3817:20 Unique 2.81, 4.03 A)
&rst
ixpk= 3817, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1958,1959,
&end
#
# 0 AMB 20-2:3818 0 AMB 20-1:3818 4.50 (# 3818:20 Double Ambig)
&rst
ixpk= 3818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 333, 615,
igr2=1805,1806, 628, 629, 628, 629,
&end
#
# 0 AMB 20-2:3822 66 THR HA 7.00 (# 3822:20 Single Ambig)
&rst
ixpk= 3822, nxpk= 20, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 977, 978, 979,1009,
&end
#
# 45 GLU HN 19 LEU MDY 7.00 (# 3823:20 Unique 5.24, 7.05 A)
&rst
ixpk= 3823, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 135 LEU HN 129 VAL MGX 7.00 (# 3824:20 Unique 3.28, 6.25 A)
&rst
ixpk= 3824, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:3825 83 SER HA 7.00 (# 3825:20 Single Ambig)
&rst
ixpk= 3825, nxpk= 20, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1394,1395,1370,
&end
#
# 0 AMB 20-2:3826 0 AMB 20-1:3826 7.00 (# 3826:20 Double Ambig)
&rst
ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 91, 88, 89,
igr2= 119, 120, 119, 120,
&end
#
# 59 ILE HG1+ 68 VAL HA 7.00 (# 3827:20 Unique 2.38, 3.79 A)
&rst
ixpk= 3827, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 964, 965,
&end
#
# 0 AMB 20-2:3828 0 AMB 20-1:3828 7.00 (# 3828:20 Double Ambig)
&rst
ixpk= 3828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.53, r4=12.03,
igr1=1910,1911,1886,1252,1260,
igr2=1852,1853,1560,1561,
&end
#
# 0 AMB 20-2:3830 113 ALA MB 4.50 (# 3830:20 Single Ambig)
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1756,1757,1910,1911,
igr2=1842,1843,1844,
&end
#
# 7 GLU HA 0 AMB 20-1:3831 4.50 (# 3831:20 Single Ambig)
&rst
ixpk= 3831, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 122, 123, 122, 123,
&end
#
# 96 CYS HA 99 ASP HB+ 4.50 (# 3832:20 Unique 2.36, 3.67 A)
&rst
ixpk= 3832, nxpk= 20, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1599,1600,
&end
#
# 109 VAL MGX 101 LEU HB- 4.50 (# 3833:20 Unique 1.97, 4.39 A)
&rst
ixpk= 3833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:3837 0 AMB 20-1:3837 4.50 (# 3837:20 Double Ambig)
&rst
ixpk= 3837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1840,1727,
igr2=1824,1825,1824,1825,1711,1712,1711,1712,
&end
#
# 27 PHE HN 26 LEU HB- 4.50 (# 3838:20 Unique 2.19, 2.99 A)
&rst
ixpk= 3838, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 406, 407,
&end
#
# 22 ASP HN 22 ASP HB+ 4.50 (# 3839:20 Unique 2.10, 3.16 A)
&rst
ixpk= 3839, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 351, 352,
&end
#
# 0 AMB 20-2:3840 42 LYS HE- 2.80 (# 3840:20 Single Ambig)
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 676, 677, 679, 680,
igr2= 682, 683,
&end
#
# 38 VAL HB 42 LYS HE+ 7.00 (# 3841:20 Unique 3.96, 4.97 A)
&rst
ixpk= 3841, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 682, 683,
&end
#
# 38 VAL HB 42 LYS HE- 7.00 (# 3842:20 Unique 3.96, 4.97 A)
&rst
ixpk= 3842, nxpk= 20, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 682, 683,
&end
#
# 115 LEU HA 115 LEU HB+ 5.50 (# 3843:20 Unique 2.20, 2.49 A)
&rst
ixpk= 3843, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1871,1872,
&end
#
# 24 ASP HN 24 ASP HB- 3.50 (# 3844:20 Unique 2.06, 2.81 A)
&rst
ixpk= 3844, nxpk= 20, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 370, 371,
&end
#
# 0 AMB 20-2:3845 0 AMB 20-1:3845 4.50 (# 3845:20 Double Ambig)
&rst
ixpk= 3845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1620, 941,
igr2=1622,1623, 958,
&end
#
# 0 AMB 20-2:3850 132 GLY HA- 4.50 (# 3850:20 Single Ambig)
&rst
ixpk= 3850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 203, 204, 205, 207, 208, 209,2090,2091,2092,2094,
2095,2096,
igr2=2121,2122,
&end
#
# 0 AMB 20-2:3851 0 AMB 20-1:3851 5.50 (# 3851:20 Double Ambig)
&rst
ixpk= 3851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1080,1025,1026,1025,1026,1028,1029,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 65 LEU HG 0 AMB 20-1:3852 5.50 (# 3852:20 Single Ambig)
&rst
ixpk= 3852, nxpk= 20, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1006,1007,1006,1007,
&end
#
# 149 ARG HN 0 AMB 20-1:3853 4.50 (# 3853:20 Single Ambig)
&rst
ixpk= 3853, nxpk= 20, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:3854 0 AMB 20-1:3854 4.50 (# 3854:20 Double Ambig)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,
igr2= 325, 326, 325, 326,
&end
#
# 67 VAL HN 0 AMB 20-1:3855 7.00 (# 3855:20 Single Ambig)
&rst
ixpk= 3855, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1006,1007,1006,1007,
&end
#
# 23 GLY HN 23 GLY HA+ 4.50 (# 3856:20 Unique 2.25, 2.68 A)
&rst
ixpk= 3856, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:3857 65 LEU HB- 4.50 (# 3857:20 Single Ambig)
&rst
ixpk= 3857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1052,1053,1054,1056,1057,1058,1082,1083,1084,1086,
1087,1088,
igr2=1047,1048,
&end
#
# 0 AMB 20-2:3858 145 ARG HD- 4.50 (# 3858:20 Single Ambig)
&rst
ixpk= 3858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2319,2320,2319,2320,
igr2=2325,2326,
&end
#
# 0 AMB 20-2:3859 145 ARG HD- 4.50 (# 3859:20 Single Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2272,2273,2274,2276,2277,2278,2170,2171,2172,2174,
2175,2176,2170,2171,2172,2174,2175,2176,
igr2=2325,2326,
&end
#
# 0 AMB 20-2:3860 0 AMB 20-1:3860 4.50 (# 3860:20 Double Ambig)
&rst
ixpk= 3860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 851,1248,1249,
igr2=1112,1113,1112,1113,
&end
#
# 0 AMB 20-2:3861 0 AMB 20-1:3861 2.80 (# 3861:20 Double Ambig)
&rst
ixpk= 3861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1818,1819,1821,1822,1708,1709,1708,1709,1708,1709,
2391,2392,2391,2392,
igr2=1824,1825,1824,1825,1824,1825,1711,1712,1711,1712,
1711,1712,2394,2395,2394,2395,2394,2395,
&end
#
# 80 ILE QG2 0 AMB 20-1:3863 4.50 (# 3863:20 Single Ambig)
&rst
ixpk= 3863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1307,1308,1309,
igr2= 226, 227, 226, 227,
&end
#
# 75 LEU HN 75 LEU HB- 5.50 (# 3864:20 Unique 2.52, 3.01 A)
&rst
ixpk= 3864, nxpk= 20, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1208,1209,
&end
#
# 18 ILE QG2 75 LEU HB- 5.50 (# 3865:20 Unique 3.89, 5.49 A)
&rst
ixpk= 3865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 289, 290, 291,
igr2=1208,1209,
&end
#
# 78 TYR HB+ 17 LEU HB- 5.50 (# 3866:20 Unique 2.00, 4.19 A)
&rst
ixpk= 3866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1268,1269,
igr2= 268, 269,
&end
#
# 0 AMB 20-2:3869 23 GLY HA- 5.50 (# 3869:20 Single Ambig)
&rst
ixpk= 3869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 347, 378,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:3870 69 TYR HB- 5.50 (# 3870:20 Single Ambig)
&rst
ixpk= 3870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1277,1285,
igr2=1112,1113,
&end
#
# 0 AMB 20-2:3871 0 AMB 20-1:3871 4.50 (# 3871:20 Double Ambig)
&rst
ixpk= 3871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 268, 269, 271,1133,1134,
igr2=1268,1269,1248,1249,
&end
#
# 0 AMB 20-2:3872 0 AMB 20-1:3872 5.50 (# 3872:20 Double Ambig)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1342,1343,1342,1343,1331,1332,
igr2= 226, 227, 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:3873 117 ASN HB- 3.50 (# 3873:20 Single Ambig)
&rst
ixpk= 3873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1627,1628,1629,1631,1632,1633,
igr2=1905,1906,
&end
#
# 0 AMB 20-2:3874 70 LYS HE- 3.50 (# 3874:20 Single Ambig)
&rst
ixpk= 3874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1136,1137,1136,1137,1521,1522,1523,1525,1526,1527,
1139,1140,
igr2=1142,1143,
&end
#
# 105 LEU HN 105 LEU HB+ 4.50 (# 3875:20 Unique 2.10, 2.93 A)
&rst
ixpk= 3875, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1686,1687,
&end
#
# 0 AMB 20-2:3876 105 LEU HB- 5.50 (# 3876:20 Single Ambig)
&rst
ixpk= 3876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1725,1901,
igr2=1686,1687,
&end
#
# 0 AMB 20-2:3877 0 AMB 20-1:3877 3.50 (# 3877:20 Double Ambig)
&rst
ixpk= 3877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1009,1799,1800,
igr2= 838, 839,1805,1806,
&end
#
# 0 AMB 20-2:3878 0 AMB 20-1:3878 4.50 (# 3878:20 Double Ambig)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2239,2240,2270,2256,2257,
igr2=2210,2211,2210,2211,2210,2211,
&end
#
# 0 AMB 20-2:3879 0 AMB 20-1:3879 4.50 (# 3879:20 Double Ambig)
&rst
ixpk= 3879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2239,2240,1781,1782, 325, 326,2256,2257,
igr2=2210,2211,1805,1806,2210,2211,
&end
#
# 0 AMB 20-2:3880 0 AMB 20-1:3880 4.50 (# 3880:20 Double Ambig)
&rst
ixpk= 3880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 347, 378,
igr2= 370, 371, 370, 371,
&end
#
# 0 AMB 20-2:3881 0 AMB 20-1:3881 4.50 (# 3881:20 Double Ambig)
&rst
ixpk= 3881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1637,1761,
igr2=1622,1623,1622,1623,
&end
#
# 0 AMB 20-2:3882 40 GLU HG- 4.50 (# 3882:20 Single Ambig)
&rst
ixpk= 3882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 619, 620, 625, 626,
igr2= 644, 645,
&end
#
# 70 LYS HN 70 LYS HB+ 5.50 (# 3883:20 Unique 2.08, 3.26 A)
&rst
ixpk= 3883, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1133,1134,
&end
#
# 70 LYS HN 70 LYS HB- 5.50 (# 3884:20 Unique 2.08, 3.26 A)
&rst
ixpk= 3884, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:3885 0 AMB 20-1:3885 3.50 (# 3885:20 Double Ambig)
&rst
ixpk= 3885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,1136,1137,
1136,1137,
igr2=1133,1134,1133,1134,1133,1134,1133,1134,
&end
#
# 0 AMB 20-2:3886 70 LYS HB- 3.50 (# 3886:20 Single Ambig)
&rst
ixpk= 3886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,1136,1137,
1136,1137,
igr2=1133,1134,
&end
#
# 48 ILE QD1 48 ILE HB 4.50 (# 3887:20 Unique 3.43, 3.84 A)
&rst
ixpk= 3887, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 785, 786, 787,
&end
#
# 48 ILE HG1- 48 ILE HB 4.50 (# 3888:20 Unique 2.23, 2.46 A)
&rst
ixpk= 3888, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 782, 783,
&end
#
# 0 AMB 20-2:3889 129 VAL HB 4.50 (# 3889:20 Single Ambig)
&rst
ixpk= 3889, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2071,2072,2073,2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 20-2:3891 127 GLU HG- 5.50 (# 3891:20 Single Ambig)
&rst
ixpk= 3891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,2075,2076,2075,2076,2345,2346,2347,2349,
2350,2351,2345,2346,2347,2349,2350,2351,
igr2=2057,2058,
&end
#
# 110 GLU HN 110 GLU HG+ 4.50 (# 3892:20 Unique 1.86, 2.78 A)
&rst
ixpk= 3892, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1784,1785,
&end
#
# 110 GLU HN 110 GLU HG- 4.50 (# 3893:20 Unique 1.86, 2.78 A)
&rst
ixpk= 3893, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1784,1785,
&end
#
# 105 LEU HN 0 AMB 20-1:3895 4.50 (# 3895:20 Single Ambig)
&rst
ixpk= 3895, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1669,1670,1669,1670,
&end
#
# 143 VAL MGX 103 GLN HG+ 4.50 (# 3897:20 Unique 1.99, 4.55 A)
&rst
ixpk= 3897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1655,1656,
&end
#
# 118 MET HA 118 MET HG+ 4.50 (# 3898:20 Unique 2.14, 3.03 A)
&rst
ixpk= 3898, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1922,1923,
&end
#
# 118 MET HA 118 MET HG- 4.50 (# 3899:20 Unique 2.14, 3.03 A)
&rst
ixpk= 3899, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1922,1923,
&end
#
# 136 GLU HA 0 AMB 20-1:3900 4.50 (# 3900:20 Single Ambig)
&rst
ixpk= 3900, nxpk= 20, iat=2182, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2184,2185,2184,2185,
&end
#
# 0 AMB 20-2:3901 36 PRO HB- 7.00 (# 3901:20 Single Ambig)
&rst
ixpk= 3901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 239, 240, 241, 605, 606, 607, 609, 610, 611,
igr2= 581, 582,
&end
#
# 39 LYS HG+ 39 LYS HB+ 3.50 (# 3903:20 Unique 2.27, 2.74 A)
&rst
ixpk= 3903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 622, 623,
igr2= 619, 620,
&end
#
# 94 LEU HB- 0 AMB 20-1:3904 5.50 (# 3904:20 Single Ambig)
&rst
ixpk= 3904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1516,1517,
igr2=1476,1477,1476,1477,
&end
#
# 99 ASP HB+ 139 PRO HB- 4.50 (# 3905:20 Unique 1.99, 3.24 A)
&rst
ixpk= 3905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1599,1600,
igr2=2225,2226,
&end
#
# 0 AMB 20-2:3906 0 AMB 20-1:3906 4.50 (# 3906:20 Double Ambig)
&rst
ixpk= 3906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.31, r4=12.81,
igr1= 411, 412, 413, 415, 416, 417, 605, 606, 607, 609,
610, 611,1011,1012,1013,1015,1016,1017,1314,1315,
1316, 239, 240, 241,1876,1877,1878,1880,1881,1882,
igr2= 382, 383, 382, 383, 740, 741, 382, 383, 382, 383,
740, 741, 382, 383,
&end
#
# 143 VAL MGX 104 MET HG- 4.50 (# 3907:20 Unique 1.98, 4.32 A)
&rst
ixpk= 3907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:3908 0 AMB 20-1:3908 3.50 (# 3908:20 Double Ambig)
&rst
ixpk= 3908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.46, r4= 8.96,
igr1=1876,1877,1878,1880,1881,1882, 411, 412, 413, 415,
416, 417, 411, 412, 413, 415, 416, 417,1208,1209,
igr2=1802,1803,1802,1803,1802,1803,1802,1803,1802,1803,
&end
#
# 0 AMB 20-2:3909 0 AMB 20-1:3909 4.50 (# 3909:20 Double Ambig)
&rst
ixpk= 3909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1=2272,2273,2274,2276,2277,2278,2272,2273,2274,2276,
2277,2278,2028,2029,2030,2032,2033,2034,
igr2=2054,2055,2054,2055,2054,2055,2026,
&end
#
# 0 AMB 20-2:3910 0 AMB 20-1:3910 2.80 (# 3910:20 Double Ambig)
&rst
ixpk= 3910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 239, 240, 241,1314,1315,1316,
igr2=1311,1312,1311,1312,1311,1312,1311,1312,
&end
#
# 0 AMB 20-2:3912 0 AMB 20-1:3912 3.50 (# 3912:20 Double Ambig)
&rst
ixpk= 3912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1727,2251,1840,
igr2=1735,1736,1735,1736,2322,2323,1735,1736,
&end
#
# 0 AMB 20-2:3913 0 AMB 20-1:3913 2.80 (# 3913:20 Double Ambig)
&rst
ixpk= 3913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088, 239, 240, 241,1314,1315,1316, 885, 886,
igr2=1311,1312,1311,1312,1311,1312,1311,1312, 882, 883,
&end
#
# 48 ILE QD1 48 ILE HG1- 4.50 (# 3914:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 785, 786, 787,
igr2= 782, 783,
&end
#
# 48 ILE QD1 48 ILE HG1+ 3.50 (# 3915:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 785, 786, 787,
igr2= 782, 783,
&end
#
# 115 LEU HA 115 LEU HG 4.50 (# 3916:20 Unique 3.56, 3.63 A)
&rst
ixpk= 3916, nxpk= 20, iat=1869,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 LEU HA 135 LEU HG 4.50 (# 3918:20 Unique 2.46, 3.15 A)
&rst
ixpk= 3918, nxpk= 20, iat=2163,2168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE QD1 62 LEU MDX 4.50 (# 3919:20 Unique 1.98, 4.14 A)
&rst
ixpk= 3919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 785, 786, 787,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:3921 135 LEU HG 2.80 (# 3921:20 Single Ambig)
&rst
ixpk= 3921, nxpk= 20, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,2132,2133,2134,2136,2137,2138,
&end
#
# 65 LEU MDX 65 LEU HG 3.50 (# 3922:20 Unique 2.21, 2.64 A)
&rst
ixpk= 3922, nxpk= 20, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3924 146 VAL HA 4.50 (# 3924:20 Single Ambig)
&rst
ixpk= 3924, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2391,2392,2391,2392,
&end
#
# 44 PHE HE 17 LEU MDX 4.50 (# 3928:20 Unique 1.99, 5.98 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 711, 715,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 20 ASP HN 26 LEU MDY 4.50 (# 3929:20 Unique 2.48, 4.84 A)
&rst
ixpk= 3929, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 26 LEU HN 26 LEU MDY 5.50 (# 3930:20 Unique 2.88, 4.23 A)
&rst
ixpk= 3930, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 117 ASN HD2- 105 LEU MDX 5.50 (# 3931:20 Unique 1.91, 3.28 A)
&rst
ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1910,1911,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:3932 105 LEU MDX 4.50 (# 3932:20 Single Ambig)
&rst
ixpk= 3932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1701,1648,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:3933 0 AMB 20-1:3933 3.50 (# 3933:20 Double Ambig)
&rst
ixpk= 3933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 143, 162, 65,
igr2= 152, 153, 154, 156, 157, 158, 55, 56, 57, 59,
60, 61,
&end
#
# 0 AMB 20-2:3934 0 AMB 20-1:3934 4.50 (# 3934:20 Double Ambig)
&rst
ixpk= 3934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 46, 103,
igr2= 55, 56, 57, 59, 60, 61, 93, 94, 95, 97,
98, 99,
&end
#
# 0 AMB 20-2:3935 10 LEU MDX 5.50 (# 3935:20 Single Ambig)
&rst
ixpk= 3935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 170, 179,1357,1366,
igr2= 152, 153, 154, 156, 157, 158,
&end
#
# 0 AMB 20-2:3936 0 AMB 20-1:3936 4.50 (# 3936:20 Double Ambig)
&rst
ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1585,1589,1252,1260,
igr2=1166,1167,1166,1167,
&end
#
# 0 AMB 20-2:3937 139 PRO HA 4.50 (# 3937:20 Single Ambig)
&rst
ixpk= 3937, nxpk= 20, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2222,2223,2253,2254,2253,2254,2236,2237,1560,1561,
&end
#
# 137 SER HN 137 SER HB- 4.50 (# 3938:20 Unique 2.03, 3.28 A)
&rst
ixpk= 3938, nxpk= 20, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:3939 0 AMB 20-1:3939 5.50 (# 3939:20 Double Ambig)
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 637, 359,
igr2= 622, 623,1799,1800,
&end
#
# 43 ALA HA 0 AMB 20-1:3940 4.50 (# 3940:20 Single Ambig)
&rst
ixpk= 3940, nxpk= 20, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 743, 744, 743, 744,
&end
#
# 0 AMB 20-2:3941 88 LEU MDX 4.50 (# 3941:20 Single Ambig)
&rst
ixpk= 3941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1437,1438,1444,1445,1446,1403,1404,
igr2=1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 20-2:3942 0 AMB 20-1:3942 3.50 (# 3942:20 Double Ambig)
&rst
ixpk= 3942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
igr1= 107, 108, 25, 26,1374,1375,1374,1375, 25, 26,
25, 26, 122, 123,
igr2= 93, 94, 95, 97, 98, 99, 55, 56, 57, 59,
60, 61, 992, 993, 994, 996, 997, 998, 992, 993,
994, 996, 997, 998,
&end
#
# 0 AMB 20-2:3943 39 LYS HG- 3.50 (# 3943:20 Single Ambig)
&rst
ixpk= 3943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 625, 626, 619, 620, 673, 674,
igr2= 622, 623,
&end
#
# 0 AMB 20-2:3944 0 AMB 20-1:3944 7.00 (# 3944:20 Double Ambig)
&rst
ixpk= 3944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=1848, 235,
igr2=1213,1214,1215,1217,1218,1219, 273, 274, 275, 277,
278, 279,
&end
#
# 0 AMB 20-2:3945 0 AMB 20-1:3945 4.50 (# 3945:20 Double Ambig)
&rst
ixpk= 3945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 245,1192, 321,1151,
igr2= 273, 274, 275, 277, 278, 279,1213,1214,1215,1217,
1218,1219,
&end
#
# 19 LEU HN 75 LEU MDY 5.50 (# 3946:20 Unique 2.45, 5.54 A)
&rst
ixpk= 3946, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1213,1214,1215,1217,1218,1219,
&end
#
# 60 ALA HN 0 AMB 20-1:3947 5.50 (# 3947:20 Single Ambig)
&rst
ixpk= 3947, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 0 AMB 20-2:3948 93 VAL MGY 3.50 (# 3948:20 Single Ambig)
&rst
ixpk= 3948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1452,2199,2200,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 122 PHE HA 121 LEU MDY 5.50 (# 3949:20 Unique 2.64, 4.78 A)
&rst
ixpk= 3949, nxpk= 20, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:3950 121 LEU MDY 3.50 (# 3950:20 Single Ambig)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1852,1853,1560,1561,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 20-2:3951 4 LEU MDY 2.80 (# 3951:20 Single Ambig)
&rst
ixpk= 3951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 50, 51, 50, 51, 53,
igr2= 55, 56, 57, 59, 60, 61,
&end
#
# 0 AMB 20-2:3953 94 LEU MDY 3.50 (# 3953:20 Single Ambig)
&rst
ixpk= 3953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1516,1517,1480,1481,1482,1289,
igr2=1521,1522,1523,1525,1526,1527,
&end
#
# 107 LYS HA 0 AMB 20-1:3954 4.50 (# 3954:20 Single Ambig)
&rst
ixpk= 3954, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:3956 13 VAL MGY 4.50 (# 3956:20 Single Ambig)
&rst
ixpk= 3956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 215, 185,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:3957 19 LEU MDY 4.50 (# 3957:20 Single Ambig)
&rst
ixpk= 3957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 361, 362, 795, 796, 795, 796,1227,1228,1227,1228,
igr2= 311, 312, 313, 315, 316, 317,
&end
#
# 78 TYR HD 67 VAL MGY 3.50 (# 3958:20 Unique 1.96, 5.86 A)
&rst
ixpk= 3958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1272,1281,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 109 VAL MGX 0 AMB 20-1:3959 3.50 (# 3959:20 Single Ambig)
&rst
ixpk= 3959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1639,1641,1642,1641,1642,
&end
#
# 96 CYS HB+ 96 CYS HA 4.50 (# 3960:20 Unique 2.36, 2.78 A)
&rst
ixpk= 3960, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1549,1550,
&end
#
# 80 ILE HN 79 VAL MGX 4.50 (# 3961:20 Unique 3.06, 4.84 A)
&rst
ixpk= 3961, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1291,1292,1293,1295,1296,1297,
&end
#
# 98 PHE HE 109 VAL MGX 4.50 (# 3962:20 Unique 2.02, 6.42 A)
&rst
ixpk= 3962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1585,1589,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 78 TYR HD 67 VAL MGX 5.50 (# 3963:20 Unique 1.96, 5.86 A)
&rst
ixpk= 3963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1272,1281,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3964 109 VAL MGX 4.50 (# 3964:20 Single Ambig)
&rst
ixpk= 3964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1725,1747,
igr2=1767,1768,1769,1771,1772,1773,
&end
#
# 128 ILE HN 142 VAL MGY 3.50 (# 3965:20 Unique 2.23, 4.73 A)
&rst
ixpk= 3965, nxpk= 20, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2272,2273,2274,2276,2277,2278,
&end
#
# 48 ILE QD1 67 VAL MGX 4.50 (# 3966:20 Unique 1.98, 4.18 A)
&rst
ixpk= 3966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 785, 786, 787,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3967 67 VAL MGX 4.50 (# 3967:20 Single Ambig)
&rst
ixpk= 3967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1009, 977, 978, 979,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3968 67 VAL MGX 4.50 (# 3968:20 Single Ambig)
&rst
ixpk= 3968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1047,1048,1305,1454,1455,
igr2=1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 20-2:3969 39 LYS HA 2.80 (# 3969:20 Single Ambig)
&rst
ixpk= 3969, nxpk= 20, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 679, 680, 622, 623,
&end
#
# 0 AMB 20-2:3970 0 AMB 20-1:3970 2.80 (# 3970:20 Double Ambig)
&rst
ixpk= 3970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 673, 674, 673, 674, 625, 626,1874,1802,1803,1802,
1803,
igr2= 617,1816,
&end
#
# 125 VAL HB 122 PHE HA 4.50 (# 3971:20 Unique 2.75, 3.41 A)
&rst
ixpk= 3971, nxpk= 20, iat=2026,1975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LYS HE- 112 ARG HA 7.00 (# 3972:20 Unique 2.06, 4.76 A)
&rst
ixpk= 3972, nxpk= 20, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1805,1806,
&end
#
# 0 AMB 20-2:3973 0 AMB 20-1:3973 3.50 (# 3973:20 Double Ambig)
&rst
ixpk= 3973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 725, 726,1796,1797, 603,1890,1891,2343, 641, 642,
1781,1782,
igr2= 671,1816, 617,2317,
&end
#
# 45 GLU HB+ 45 GLU HA 5.50 (# 3974:20 Unique 2.38, 2.77 A)
&rst
ixpk= 3974, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 725, 726,
&end
#
# 110 GLU HN 113 ALA MB 3.50 (# 3975:20 Unique 1.89, 2.56 A)
&rst
ixpk= 3975, nxpk= 20, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1842,1843,1844,
&end
#
# 145 ARG HG+ 145 ARG HA 3.50 (# 3976:20 Unique 2.03, 2.71 A)
&rst
ixpk= 3976, nxpk= 20, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2322,2323,
&end
#
# 0 AMB 20-2:3977 145 ARG HA 2.80 (# 3977:20 Single Ambig)
&rst
ixpk= 3977, nxpk= 20, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2319,2320,2319,2320,2388,2389,
&end
#
# 143 VAL MGX 104 MET HA 4.50 (# 3979:20 Unique 2.45, 5.00 A)
&rst
ixpk= 3979, nxpk= 20, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 148 LEU HN 147 ALA MB 4.50 (# 3981:20 Unique 1.94, 3.34 A)
&rst
ixpk= 3981, nxpk= 20, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2359,2360,2361,
&end
#
# 117 ASN HB+ 114 LEU HA 5.50 (# 3982:20 Unique 2.84, 4.57 A)
&rst
ixpk= 3982, nxpk= 20, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1905,1906,
&end
#
# 0 AMB 20-2:3983 0 AMB 20-1:3983 3.50 (# 3983:20 Double Ambig)
&rst
ixpk= 3983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1905,1906,1440,1441,1500,1096,
igr2=1850,1452,
&end
#
# 0 AMB 20-2:3986 48 ILE QG2 4.50 (# 3986:20 Single Ambig)
&rst
ixpk= 3986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 711, 715, 767, 768,
igr2= 778, 779, 780,
&end
#
# 19 LEU HN 18 ILE QG2 4.50 (# 3987:20 Unique 2.71, 4.27 A)
&rst
ixpk= 3987, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 289, 290, 291,
&end
#
# 0 AMB 20-2:3988 43 ALA MB 2.80 (# 3988:20 Single Ambig)
&rst
ixpk= 3988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 693, 639,
igr2= 695, 696, 697,
&end
#
# 44 PHE HA 43 ALA MB 4.50 (# 3989:20 Unique 4.02, 4.82 A)
&rst
ixpk= 3989, nxpk= 20, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 695, 696, 697,
&end
#
# 27 PHE HB+ 118 MET ME 3.50 (# 3990:20 Unique 1.99, 3.85 A)
&rst
ixpk= 3990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 425, 426,
igr2=1926,1927,1928,
&end
#
# 118 MET HG+ 118 MET ME 3.50 (# 3991:20 Unique 1.99, 3.47 A)
&rst
ixpk= 3991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1922,1923,
igr2=1926,1927,1928,
&end
#
# 27 PHE HB- 118 MET ME 4.50 (# 3992:20 Unique 1.99, 3.85 A)
&rst
ixpk= 3992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 425, 426,
igr2=1926,1927,1928,
&end
#
# 0 AMB 20-2:3993 128 ILE QG2 3.50 (# 3993:20 Single Ambig)
&rst
ixpk= 3993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2090,2091,2092,2094,2095,2096,2155,2156,2157,2078,
2079,2080,2170,2171,2172,2174,2175,2176,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:3994 128 ILE QG2 4.50 (# 3994:20 Single Ambig)
&rst
ixpk= 3994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1502,1503,1504,1506,1507,1508,2075,2076,2075,2076,
2170,2171,2172,2174,2175,2176,
igr2=2071,2072,2073,
&end
#
# 121 LEU HA 124 ALA MB 3.50 (# 3995:20 Unique 2.05, 3.05 A)
&rst
ixpk= 3995, nxpk= 20, iat=1956, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2016,2017,2018,
&end
#
# 73 ILE HA 73 ILE QG2 3.50 (# 3996:20 Unique 2.09, 2.93 A)
&rst
ixpk= 3996, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:3997 134 ILE QG2 4.50 (# 3997:20 Single Ambig)
&rst
ixpk= 3997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2121,2122,2163,1435,
igr2=2148,2149,2150,
&end
#
# 104 MET HN 101 LEU HA 4.50 (# 3998:20 Unique 2.86, 3.47 A)
&rst
ixpk= 3998, nxpk= 20, iat=1665,1620, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLU HG- 116 GLU HA 4.50 (# 4000:20 Unique 2.32, 3.21 A)
&rst
ixpk= 4000, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1893,1894,
&end
#
# 116 GLU HB- 116 GLU HA 4.50 (# 4002:20 Unique 2.38, 2.74 A)
&rst
ixpk= 4002, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:4003 116 GLU HA 4.50 (# 4003:20 Single Ambig)
&rst
ixpk= 4003, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1919,1920,1871,1872,1818,1819,
&end
#
# 53 HIS HN 51 LYS HA 5.50 (# 4004:20 Unique 3.32, 3.96 A)
&rst
ixpk= 4004, nxpk= 20, iat= 861, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HN 59 ILE QG2 5.50 (# 4005:20 Unique 3.19, 5.14 A)
&rst
ixpk= 4005, nxpk= 20, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 960, 961, 962,
&end
#
# 29 LYS HN 16 ILE QG2 4.50 (# 4006:20 Unique 3.12, 4.92 A)
&rst
ixpk= 4006, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 251, 252, 253,
&end
#
# 16 ILE HN 16 ILE QG2 4.50 (# 4007:20 Unique 3.72, 4.44 A)
&rst
ixpk= 4007, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 251, 252, 253,
&end
#
# 54 ARG HB- 54 ARG HA 4.50 (# 4008:20 Unique 2.45, 2.82 A)
&rst
ixpk= 4008, nxpk= 20, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 882, 883,
&end
#
# 0 AMB 20-2:4009 0 AMB 20-1:4009 4.50 (# 4009:20 Double Ambig)
&rst
ixpk= 4009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 865, 866, 882, 883,
igr2= 813, 880,
&end
#
# 0 AMB 20-2:4010 104 MET ME 4.50 (# 4010:20 Single Ambig)
&rst
ixpk= 4010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2012,1682,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:4011 136 GLU HA 3.50 (# 4011:20 Single Ambig)
&rst
ixpk= 4011, nxpk= 20, iat= -1,2182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,2155,2156,2157,
&end
#
# 142 VAL MGY 124 ALA HA 4.50 (# 4012:20 Unique 1.99, 4.34 A)
&rst
ixpk= 4012, nxpk= 20, iat= -1,2014, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2272,2273,2274,2276,2277,2278,
&end
#
# 95 ASN HN 95 ASN HA 4.50 (# 4013:20 Unique 2.64, 2.77 A)
&rst
ixpk= 4013, nxpk= 20, iat=1531,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4015 104 MET ME 5.50 (# 4015:20 Single Ambig)
&rst
ixpk= 4015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2022,1973,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:4016 104 MET ME 2.80 (# 4016:20 Single Ambig)
&rst
ixpk= 4016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1627,1628,1629,1631,1632,1633,1691,1692,1693,1695,
1696,1697,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:4017 69 TYR HA 4.50 (# 4017:20 Single Ambig)
&rst
ixpk= 4017, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1521,1522,1523,1525,1526,1527,1136,1137,
&end
#
# 107 LYS HB+ 107 LYS HA 4.50 (# 4018:20 Unique 2.28, 2.81 A)
&rst
ixpk= 4018, nxpk= 20, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1729,1730,
&end
#
# 78 TYR HD 80 ILE QD1 5.50 (# 4019:20 Unique 3.08, 5.85 A)
&rst
ixpk= 4019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1272,1281,
igr2=1314,1315,1316,
&end
#
# 0 AMB 20-2:4020 0 AMB 20-1:4020 5.50 (# 4020:20 Double Ambig)
&rst
ixpk= 4020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 107, 108, 943, 944, 122, 123, 122, 123,1480,1481,
1482,
igr2= 86,1131,
&end
#
# 0 AMB 20-2:4021 80 ILE QD1 5.50 (# 4021:20 Single Ambig)
&rst
ixpk= 4021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 213,1264,
igr2=1314,1315,1316,
&end
#
# 96 CYS HB- 128 ILE QD1 5.50 (# 4023:20 Unique 2.85, 5.04 A)
&rst
ixpk= 4023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1549,1550,
igr2=2078,2079,2080,
&end
#
# 0 AMB 20-2:4024 33 ASP HA 5.50 (# 4024:20 Single Ambig)
&rst
ixpk= 4024, nxpk= 20, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 575, 576, 575, 576,
&end
#
# 0 AMB 20-2:4025 16 ILE QD1 7.00 (# 4025:20 Single Ambig)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1301,1556,1575,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:4026 16 ILE QD1 4.50 (# 4026:20 Single Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 296, 297, 298,1963,1964,1965,1967,1968,1969,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:4027 147 ALA HA 5.50 (# 4027:20 Single Ambig)
&rst
ixpk= 4027, nxpk= 20, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2369,2370,2369,2370,2372,
&end
#
# 0 AMB 20-2:4028 48 ILE QD1 4.50 (# 4028:20 Single Ambig)
&rst
ixpk= 4028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 776,1307,1308,1309,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:4029 0 AMB 20-1:4029 4.50 (# 4029:20 Double Ambig)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1756,1757,1357,1366,
igr2=1186,1187,1188, 78, 79, 80,
&end
#
# 44 PHE HE 48 ILE QD1 2.80 (# 4030:20 Unique 1.99, 4.28 A)
&rst
ixpk= 4030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 711, 715,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:4031 48 ILE QD1 3.50 (# 4031:20 Single Ambig)
&rst
ixpk= 4031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1311,1312,1006,1007,
igr2= 785, 786, 787,
&end
#
# 19 LEU HB+ 19 LEU HA 5.50 (# 4032:20 Unique 2.20, 2.63 A)
&rst
ixpk= 4032, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 307,
&end
#
# 0 AMB 20-2:4033 20 ASP HA 4.50 (# 4033:20 Single Ambig)
&rst
ixpk= 4033, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1802,1803,1802,1803,
&end
#
# 2 GLU HB- 3 ALA HA 5.50 (# 4034:20 Unique 4.22, 5.31 A)
&rst
ixpk= 4034, nxpk= 20, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 25, 26,
&end
#
# 0 AMB 20-2:4035 0 AMB 20-1:4035 5.50 (# 4035:20 Double Ambig)
&rst
ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 25, 26,1047,1048,
igr2=1038,1039,1038,1039,
&end
#
# 145 ARG HG- 145 ARG HD+ 4.50 (# 4036:20 Unique 2.27, 2.72 A)
&rst
ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2322,2323,
igr2=2325,2326,
&end
#
# 0 AMB 20-2:4039 135 LEU HB- 2.80 (# 4039:20 Single Ambig)
&rst
ixpk= 4039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,
igr2=2165,2166,
&end
#
# 69 TYR HB+ 77 PHE HB- 4.50 (# 4042:20 Unique 4.22, 5.86 A)
&rst
ixpk= 4042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1112,1113,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:4043 69 TYR HB- 7.00 (# 4043:20 Single Ambig)
&rst
ixpk= 4043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.69, r4=14.19,
igr1=1136,1137,1136,1137,1521,1522,1523,1525,1526,1527,
1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1011,1012,1013,1015,1016,1017,
igr2=1112,1113,
&end
#
# 16 ILE HG1- 16 ILE HB 3.50 (# 4044:20 Unique 2.48, 2.81 A)
&rst
ixpk= 4044, nxpk= 20, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 29 LYS HD+ 29 LYS HE+ 2.80 (# 4045:20 Unique 2.27, 2.73 A)
&rst
ixpk= 4045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 461, 462,
igr2= 464, 465,
&end
#
# 29 LYS HB- 29 LYS HE+ 4.50 (# 4046:20 Unique 1.96, 4.07 A)
&rst
ixpk= 4046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 455, 456,
igr2= 464, 465,
&end
#
# 29 LYS HB+ 29 LYS HE+ 4.50 (# 4047:20 Unique 1.96, 4.07 A)
&rst
ixpk= 4047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 455, 456,
igr2= 464, 465,
&end
#
# 17 LEU HN 78 TYR HB- 5.50 (# 4049:20 Unique 1.95, 3.02 A)
&rst
ixpk= 4049, nxpk= 20, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:4050 0 AMB 20-1:4050 4.50 (# 4050:20 Double Ambig)
&rst
ixpk= 4050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 268, 269, 306, 307, 306, 307,
igr2=1268,1269,1227,1228,1227,1228,
&end
#
# 0 AMB 20-2:4051 115 LEU HB- 2.80 (# 4051:20 Single Ambig)
&rst
ixpk= 4051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,1876,1877,1878,1880,1881,1882,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:4053 0 AMB 20-1:4053 4.50 (# 4053:20 Double Ambig)
&rst
ixpk= 4053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1521,1522,1523,1525,1526,1527,1139,1140,
igr2=1516,1517,1516,1517,
&end
#
# 109 VAL MGX 105 LEU HB- 5.50 (# 4054:20 Unique 1.99, 6.30 A)
&rst
ixpk= 4054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1767,1768,1769,1771,1772,1773,
igr2=1686,1687,
&end
#
# 0 AMB 20-2:4055 0 AMB 20-1:4055 4.50 (# 4055:20 Double Ambig)
&rst
ixpk= 4055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
igr1=1765, 943, 944,1669,1670,1669,1670,
igr2=1622,1623, 958,1622,1623,1622,1623,
&end
#
# 90 LEU HA 90 LEU HB- 5.50 (# 4056:20 Unique 2.24, 2.73 A)
&rst
ixpk= 4056, nxpk= 20, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1454,1455,
&end
#
# 0 AMB 20-2:4059 0 AMB 20-1:4059 2.80 (# 4059:20 Double Ambig)
&rst
ixpk= 4059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1136,1137,1136,1137,1521,1522,1523,1525,1526,1527,
1139,1140,
igr2=1142,1143,1142,1143,1142,1143,1142,1143,
&end
#
# 0 AMB 20-2:4060 0 AMB 20-1:4060 4.50 (# 4060:20 Double Ambig)
&rst
ixpk= 4060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=1669,1670,1669,1670,1890,1891,1765,
igr2=1905,1906,1905,1906,1905,1906,1905,1906,
&end
#
# 36 PRO HB+ 30 TYR HB- 4.50 (# 4061:20 Unique 1.99, 3.47 A)
&rst
ixpk= 4061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 581, 582,
igr2= 477, 478,
&end
#
# 0 AMB 20-2:4062 128 ILE HB 4.50 (# 4062:20 Single Ambig)
&rst
ixpk= 4062, nxpk= 20, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2075,2076,2075,2076,
&end
#
# 50 ASN HD2+ 50 ASN HB+ 4.50 (# 4063:20 Unique 2.10, 3.34 A)
&rst
ixpk= 4063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 820, 821,
igr2= 815, 816,
&end
#
# 47 ASN HA 50 ASN HB+ 4.50 (# 4066:20 Unique 2.01, 3.00 A)
&rst
ixpk= 4066, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 815, 816,
&end
#
# 74 ASP HA 21 ASN HB+ 4.50 (# 4067:20 Unique 2.38, 3.68 A)
&rst
ixpk= 4067, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 337, 338,
&end
#
# 112 ARG HG+ 116 GLU HG+ 5.50 (# 4068:20 Unique 2.26, 5.24 A)
&rst
ixpk= 4068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1821,1822,
igr2=1893,1894,
&end
#
# 0 AMB 20-2:4069 29 LYS HB- 4.50 (# 4069:20 Single Ambig)
&rst
ixpk= 4069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 461, 462, 249,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:4070 0 AMB 20-1:4070 4.50 (# 4070:20 Double Ambig)
&rst
ixpk= 4070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 461, 462, 249,
igr2= 455, 456, 455, 456,
&end
#
# 29 LYS HD+ 29 LYS HB+ 4.50 (# 4071:20 Unique 2.34, 3.50 A)
&rst
ixpk= 4071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 461, 462,
igr2= 455, 456,
&end
#
# 28 ALA HA 29 LYS HB- 4.50 (# 4072:20 Unique 4.04, 4.69 A)
&rst
ixpk= 4072, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:4073 123 LEU MDY 4.50 (# 4073:20 Single Ambig)
&rst
ixpk= 4073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1977,1978,1977,1978,2268,
igr2=2002,2003,2004,2006,2007,2008,
&end
#
# 0 AMB 20-2:4074 115 LEU MDY 5.50 (# 4074:20 Single Ambig)
&rst
ixpk= 4074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1824,1825,1824,1825,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 146 VAL HN 0 AMB 20-1:4075 3.50 (# 4075:20 Single Ambig)
&rst
ixpk= 4075, nxpk= 20, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 134 ILE HA 134 ILE QG2 3.50 (# 4078:20 Unique 2.22, 3.14 A)
&rst
ixpk= 4078, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2148,2149,2150,
&end
#
# 0 AMB 20-2:4080 0 AMB 20-1:4080 2.80 (# 4080:20 Double Ambig)
&rst
ixpk= 4080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,1565,1566,1567,1569,1570,1571,
igr2=1852,1853,1560,1561,
&end
#
# 116 GLU HG+ 116 GLU HA 7.00 (# 4081:20 Unique 2.32, 3.21 A)
&rst
ixpk= 4081, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1893,1894,
&end
#
# 0 AMB 20-2:4083 47 ASN HA 4.50 (# 4083:20 Single Ambig)
&rst
ixpk= 4083, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 811, 791,
&end
#
# 77 PHE HN 70 LYS HG- 4.50 (# 4084:20 Unique 2.32, 3.59 A)
&rst
ixpk= 4084, nxpk= 20, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1136,1137,
&end
#
# 0 AMB 20-2:4086 134 ILE HA 5.50 (# 4086:20 Single Ambig)
&rst
ixpk= 4086, nxpk= 20, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=2130,1437,1438,2187,2188,2187,2188,2054,2055,2054,
2055,
&end
#
# 0 AMB 20-2:4087 0 AMB 20-1:4087 5.50 (# 4087:20 Double Ambig)
&rst
ixpk= 4087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 578, 579, 578, 579, 603, 581, 582,
igr2= 592, 593, 592, 593, 592, 593, 592, 593,
&end
#
# 40 GLU HB- 37 SER HB- 5.50 (# 4088:20 Unique 2.04, 3.40 A)
&rst
ixpk= 4088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 641, 642,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:4089 123 LEU HA 5.50 (# 4089:20 Single Ambig)
&rst
ixpk= 4089, nxpk= 20, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2014,1949,1950,1949,1950,
&end
#
# 123 LEU HB- 123 LEU HA 4.50 (# 4090:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4090, nxpk= 20, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1997,1998,
&end
#
# 0 AMB 20-2:4091 0 AMB 20-1:4091 2.80 (# 4091:20 Double Ambig)
&rst
ixpk= 4091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 575, 576,1498,
igr2= 581, 582,1437,1438,
&end
#
# 0 AMB 20-2:4094 121 LEU MDY 4.50 (# 4094:20 Single Ambig)
&rst
ixpk= 4094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1625,1919,1920,1676,1677,1678,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 144 HIS HN 143 VAL MGY 4.50 (# 4095:20 Unique 1.95, 4.10 A)
&rst
ixpk= 4095, nxpk= 20, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 103 GLN HN 143 VAL MGY 4.50 (# 4096:20 Unique 3.27, 4.92 A)
&rst
ixpk= 4096, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 104 MET HG- 143 VAL MGY 3.50 (# 4097:20 Unique 1.98, 4.32 A)
&rst
ixpk= 4097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1672,1673,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:4098 143 VAL MGY 2.80 (# 4098:20 Single Ambig)
&rst
ixpk= 4098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1669,1670,1669,1670,1652,1653,1652,1653,2286,
igr2=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 20-2:4099 0 AMB 20-1:4099 4.50 (# 4099:20 Double Ambig)
&rst
ixpk= 4099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1549,1550,2302,2303,2302,2303,
igr2=1502,1503,1504,1506,1507,1508,2288,2289,2290,2292,
2293,2294,
&end
#
# 0 AMB 20-2:4103 0 AMB 20-1:4103 3.50 (# 4103:20 Double Ambig)
&rst
ixpk= 4103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2121,2122,2300, 145,2163,
igr2=2132,2133,2134,2136,2137,2138,2288,2289,2290,2292,
2293,2294,
&end
#
# 0 AMB 20-2:4104 0 AMB 20-1:4104 2.80 (# 4104:20 Double Ambig)
&rst
ixpk= 4104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1=1852,1853, 406, 407, 406, 407,2165,2166, 147, 148,
147, 148,1799,1800,
igr2=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417,2170,2171,2172,2174,2175,2176, 152, 153,
154, 156, 157, 158,
&end
#
# 143 VAL MGY 104 MET HG+ 3.50 (# 4105:20 Unique 1.98, 4.32 A)
&rst
ixpk= 4105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1672,1673,
&end
#
# 0 AMB 20-2:4106 10 LEU HA 3.50 (# 4106:20 Single Ambig)
&rst
ixpk= 4106, nxpk= 20, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 162, 143,
&end
#
# 0 AMB 20-2:4107 0 AMB 20-1:4107 4.50 (# 4107:20 Double Ambig)
&rst
ixpk= 4107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 86, 128,
igr2= 119, 120, 119, 120,
&end
#
# 5 ILE HA 8 PRO HD+ 5.50 (# 4108:20 Unique 2.92, 4.72 A)
&rst
ixpk= 4108, nxpk= 20, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 119, 120,
&end
#
# 78 TYR HB+ 17 LEU HG 5.50 (# 4110:20 Unique 2.01, 2.90 A)
&rst
ixpk= 4110, nxpk= 20, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1268,1269,
&end
#
# 0 AMB 20-2:4111 58 GLU HA 4.50 (# 4111:20 Single Ambig)
&rst
ixpk= 4111, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 946, 947, 943, 944,
&end
#
# 0 AMB 20-2:4112 0 AMB 20-1:4112 5.50 (# 4112:20 Double Ambig)
&rst
ixpk= 4112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2339, 494,
igr2=2002,2003,2004,2006,2007,2008, 203, 204, 205, 207,
208, 209,
&end
#
# 144 HIS HA 0 AMB 20-1:4114 2.80 (# 4114:20 Single Ambig)
&rst
ixpk= 4114, nxpk= 20, iat=2300, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2302,2303,2302,2303,
&end
#
# 0 AMB 20-2:4115 0 AMB 20-1:4115 4.50 (# 4115:20 Double Ambig)
&rst
ixpk= 4115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=2071,2072,2073,2028,2029,2030,2032,2033,2034,
igr2=2075,2076,2075,2076,2075,2076,
&end
#
# 128 ILE HA 0 AMB 20-1:4116 5.50 (# 4116:20 Single Ambig)
&rst
ixpk= 4116, nxpk= 20, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2075,2076,2075,2076,
&end
#
# 128 ILE HB 0 AMB 20-1:4117 4.50 (# 4117:20 Single Ambig)
&rst
ixpk= 4117, nxpk= 20, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2075,2076,2075,2076,
&end
#
# 38 VAL MGX 42 LYS HG- 5.50 (# 4119:20 Unique 1.99, 5.19 A)
&rst
ixpk= 4119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 605, 606, 607, 609, 610, 611,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:4120 0 AMB 20-1:4120 4.50 (# 4120:20 Double Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 605, 606, 607, 609, 610, 611,1857,1858,1859,1861,
1862,1863,
igr2= 676, 677, 293, 294,
&end
#
# 0 AMB 20-2:4121 14 LYS HG- 5.50 (# 4121:20 Single Ambig)
&rst
ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 235, 527,
igr2= 220, 221,
&end
#
# 16 ILE HN 17 LEU MDY 4.50 (# 4122:20 Unique 2.99, 5.27 A)
&rst
ixpk= 4122, nxpk= 20, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 273, 274, 275, 277, 278, 279,
&end
#
# 0 AMB 20-2:4123 105 LEU MDX 2.80 (# 4123:20 Single Ambig)
&rst
ixpk= 4123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1842,1843,1844,1686,1687,1735,1736,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:4124 105 LEU MDX 4.50 (# 4124:20 Single Ambig)
&rst
ixpk= 4124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1732,1733,1732,1733,
igr2=1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 20-2:4126 148 LEU MDX 3.50 (# 4126:20 Single Ambig)
&rst
ixpk= 4126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2365,2384,
igr2=2374,2375,2376,2378,2379,2380,
&end
#
# 144 HIS HD2 148 LEU MDX 5.50 (# 4127:20 Unique 4.42,10.82 A)
&rst
ixpk= 4127, nxpk= 20, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2374,2375,2376,2378,2379,2380,
&end
#
# 5 ILE HA 5 ILE HG1- 3.50 (# 4128:20 Unique 2.20, 2.92 A)
&rst
ixpk= 4128, nxpk= 20, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 75, 76,
&end
#
# 5 ILE HB 5 ILE HG1- 4.50 (# 4129:20 Unique 2.32, 2.75 A)
&rst
ixpk= 4129, nxpk= 20, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 75, 76,
&end
#
# 0 AMB 20-2:4130 5 ILE HG1- 2.80 (# 4130:20 Single Ambig)
&rst
ixpk= 4130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 71, 72, 73, 78, 79, 80, 55, 56, 57, 59,
60, 61, 55, 56, 57, 59, 60, 61,
igr2= 75, 76,
&end
#
# 95 ASN HN 94 LEU HB- 4.50 (# 4131:20 Unique 1.92, 3.20 A)
&rst
ixpk= 4131, nxpk= 20, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 0 AMB 20-2:4132 0 AMB 20-1:4132 4.50 (# 4132:20 Double Ambig)
&rst
ixpk= 4132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1558,1514,
igr2=1560,1561,1516,1517,
&end
#
# 0 AMB 20-2:4135 40 GLU HG- 5.50 (# 4135:20 Single Ambig)
&rst
ixpk= 4135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 619, 620, 625, 626,
igr2= 644, 645,
&end
#
# 70 LYS HE+ 70 LYS HB+ 4.50 (# 4136:20 Unique 2.01, 3.64 A)
&rst
ixpk= 4136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1142,1143,
igr2=1133,1134,
&end
#
# 70 LYS HE+ 70 LYS HB- 4.50 (# 4137:20 Unique 2.01, 3.64 A)
&rst
ixpk= 4137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1142,1143,
igr2=1133,1134,
&end
#
# 77 PHE HB- 70 LYS HB+ 7.00 (# 4138:20 Unique 2.02, 4.85 A)
&rst
ixpk= 4138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1248,1249,
igr2=1133,1134,
&end
#
# 0 AMB 20-2:4139 63 GLU HG- 4.50 (# 4139:20 Single Ambig)
&rst
ixpk= 4139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1052,1053,1054,1056,1057,1058,1011,1012,1013,1015,
1016,1017, 992, 993, 994, 996, 997, 998,
igr2=1028,1029,
&end
#
# 65 LEU MDY 63 GLU HG- 5.50 (# 4140:20 Unique 3.82, 6.83 A)
&rst
ixpk= 4140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1052,1053,1054,1056,1057,1058,
igr2=1028,1029,
&end
#
# 57 SER HA 58 GLU HG- 5.50 (# 4141:20 Unique 3.55, 4.42 A)
&rst
ixpk= 4141, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 57 SER HA 58 GLU HG+ 5.50 (# 4142:20 Unique 3.55, 4.42 A)
&rst
ixpk= 4142, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:4143 58 GLU HG- 4.50 (# 4143:20 Single Ambig)
&rst
ixpk= 4143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 941, 932, 933, 932, 933,
igr2= 946, 947,
&end
#
# 59 ILE QG2 58 GLU HG+ 5.50 (# 4144:20 Unique 2.66, 5.87 A)
&rst
ixpk= 4144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 960, 961, 962,
igr2= 946, 947,
&end
#
# 59 ILE QG2 58 GLU HG- 5.50 (# 4145:20 Unique 2.66, 5.87 A)
&rst
ixpk= 4145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 960, 961, 962,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:4146 0 AMB 20-1:4146 2.80 (# 4146:20 Double Ambig)
&rst
ixpk= 4146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 943, 944,1480,1481,1482,
igr2= 946, 947, 946, 947,
&end
#
# 0 AMB 20-2:4147 58 GLU HG- 2.80 (# 4147:20 Single Ambig)
&rst
ixpk= 4147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 943, 944,1480,1481,1482,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:4148 0 AMB 20-1:4148 7.00 (# 4148:20 Double Ambig)
&rst
ixpk= 4148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1108,1151,
igr2= 946, 947, 946, 947,
&end
#
# 0 AMB 20-2:4149 58 GLU HG- 7.00 (# 4149:20 Single Ambig)
&rst
ixpk= 4149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1108,1151,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:4150 0 AMB 20-1:4150 2.80 (# 4150:20 Double Ambig)
&rst
ixpk= 4150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 967, 968, 969, 960, 961, 962, 992, 993, 994, 996,
997, 998,
igr2=1406,1407,1406,1407,1406,1407,
&end
#
# 0 AMB 20-2:4151 87 GLU HG- 2.80 (# 4151:20 Single Ambig)
&rst
ixpk= 4151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 967, 968, 969, 960, 961, 962, 992, 993, 994, 996,
997, 998,
igr2=1406,1407,
&end
#
# 66 THR MG2 87 GLU HG- 4.50 (# 4152:20 Unique 1.98, 4.83 A)
&rst
ixpk= 4152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1068,1069,1070,
igr2=1406,1407,
&end
#
# 0 AMB 20-2:4154 0 AMB 20-1:4154 5.50 (# 4154:20 Double Ambig)
&rst
ixpk= 4154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1416, 67,
igr2=1406,1407, 110, 111, 110, 111,
&end
#
# 88 LEU HA 87 GLU HG- 5.50 (# 4155:20 Unique 3.70, 4.80 A)
&rst
ixpk= 4155, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1406,1407,
&end
#
# 82 SER HN 66 THR HB 5.50 (# 4157:20 Unique 1.95, 3.96 A)
&rst
ixpk= 4157, nxpk= 20, iat=1327,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4158 66 THR HB 5.50 (# 4158:20 Single Ambig)
&rst
ixpk= 4158, nxpk= 20, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1320, 973,
&end
#
# 0 AMB 20-2:4159 55 THR HB 5.50 (# 4159:20 Single Ambig)
&rst
ixpk= 4159, nxpk= 20, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 932, 933, 932, 933,
&end
#
# 93 VAL MGX 93 VAL HA 3.50 (# 4160:20 Unique 2.00, 3.18 A)
&rst
ixpk= 4160, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1502,1503,1504,1506,1507,1508,
&end
#
# 65 LEU MDY 65 LEU HG 3.50 (# 4161:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4161, nxpk= 20, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 147 ALA HA 146 VAL HA 5.50 (# 4162:20 Unique 4.36, 4.73 A)
&rst
ixpk= 4162, nxpk= 20, iat=2357,2341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4163 146 VAL HA 5.50 (# 4163:20 Single Ambig)
&rst
ixpk= 4163, nxpk= 20, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2394,2395,2394,2395,
&end
#
# 0 AMB 20-2:4164 0 AMB 20-1:4164 4.50 (# 4164:20 Double Ambig)
&rst
ixpk= 4164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 673, 674, 673, 674,
igr2= 682, 683, 682, 683,
&end
#
# 37 SER HN 40 GLU HG+ 4.50 (# 4165:20 Unique 3.21, 4.12 A)
&rst
ixpk= 4165, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 644, 645,
&end
#
# 7 GLU HN 7 GLU HB- 2.80 (# 4166:20 Unique 2.82, 3.29 A)
&rst
ixpk= 4166, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 107, 108,
&end
#
# 0 AMB 20-2:4167 26 LEU MDX 3.50 (# 4167:20 Single Ambig)
&rst
ixpk= 4167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1867, 421,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 118 MET HA 121 LEU MDX 4.50 (# 4168:20 Unique 2.01, 4.47 A)
&rst
ixpk= 4168, nxpk= 20, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1963,1964,1965,1967,1968,1969,
&end
#
# 13 VAL MGX 13 VAL HA 2.80 (# 4169:20 Unique 1.99, 3.25 A)
&rst
ixpk= 4169, nxpk= 20, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:4171 44 PHE HA 7.00 (# 4171:20 Single Ambig)
&rst
ixpk= 4171, nxpk= 20, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 654, 543,
&end
#
# 0 AMB 20-2:4172 82 SER HA 5.50 (# 4172:20 Single Ambig)
&rst
ixpk= 4172, nxpk= 20, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 226, 227, 226, 227,
&end
#
# 0 AMB 20-2:4174 43 ALA HA 5.50 (# 4174:20 Single Ambig)
&rst
ixpk= 4174, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 721, 669,
&end
#
# 0 AMB 20-2:4175 43 ALA HA 5.50 (# 4175:20 Single Ambig)
&rst
ixpk= 4175, nxpk= 20, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 671, 738,
&end
#
# 0 AMB 20-2:4176 75 LEU HA 4.50 (# 4176:20 Single Ambig)
&rst
ixpk= 4176, nxpk= 20, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1208,1209, 411, 412, 413, 415, 416, 417,
&end
#
# 76 TYR HD 75 LEU HA 4.50 (# 4177:20 Unique 2.62, 5.03 A)
&rst
ixpk= 4177, nxpk= 20, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1231,1240,
&end
#
# 75 LEU HN 75 LEU HA 4.50 (# 4178:20 Unique 2.90, 2.92 A)
&rst
ixpk= 4178, nxpk= 20, iat=1204,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4180 36 PRO HD- 4.50 (# 4180:20 Single Ambig)
&rst
ixpk= 4180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 644, 645, 557, 558,
igr2= 575, 576,
&end
#
# 0 AMB 20-2:4181 0 AMB 20-1:4181 5.50 (# 4181:20 Double Ambig)
&rst
ixpk= 4181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 644, 645, 557, 558,
igr2= 575, 576, 575, 576,
&end
#
# 35 TYR HN 36 PRO HD+ 7.00 (# 4182:20 Unique 2.03, 3.06 A)
&rst
ixpk= 4182, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 575, 576,
&end
#
# 35 TYR HN 36 PRO HD- 7.00 (# 4183:20 Unique 2.03, 3.06 A)
&rst
ixpk= 4183, nxpk= 20, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 575, 576,
&end
#
# 73 ILE HG1+ 73 ILE HA 4.50 (# 4185:20 Unique 2.59, 3.11 A)
&rst
ixpk= 4185, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1183,1184,
&end
#
# 51 LYS HB- 52 THR MG2 4.50 (# 4187:20 Unique 2.81, 4.57 A)
&rst
ixpk= 4187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 829, 830,
igr2= 853, 854, 855,
&end
#
# 0 AMB 20-2:4188 52 THR MG2 3.50 (# 4188:20 Single Ambig)
&rst
ixpk= 4188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 908, 909, 910, 776,
igr2= 853, 854, 855,
&end
#
# 0 AMB 20-2:4189 101 LEU MDY 3.50 (# 4189:20 Single Ambig)
&rst
ixpk= 4189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1560,1561,1852,1853,1686,1687,
igr2=1627,1628,1629,1631,1632,1633,
&end
#
# 48 ILE QD1 52 THR MG2 5.50 (# 4190:20 Unique 3.60, 6.20 A)
&rst
ixpk= 4190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 785, 786, 787,
igr2= 853, 854, 855,
&end
#
# 0 AMB 20-2:4192 129 VAL MGX 3.50 (# 4192:20 Single Ambig)
&rst
ixpk= 4192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 203, 204, 205, 207, 208, 209,1502,1503,1504,1506,
1507,1508,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 131 GLY HN 129 VAL MGX 7.00 (# 4193:20 Unique 2.44, 5.48 A)
&rst
ixpk= 4193, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 20-2:4194 0 AMB 20-1:4194 2.80 (# 4194:20 Double Ambig)
&rst
ixpk= 4194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1627,1628,1629,1631,1632,1633,2078,2079,2080,
igr2=1956,1558,
&end
#
# 75 LEU HN 74 ASP HA 5.50 (# 4196:20 Unique 2.94, 3.02 A)
&rst
ixpk= 4196, nxpk= 20, iat=1204,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:4197 26 LEU MDX 4.50 (# 4197:20 Single Ambig)
&rst
ixpk= 4197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1816,1850,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 115 LEU HA 26 LEU MDX 5.50 (# 4198:20 Unique 3.08, 5.90 A)
&rst
ixpk= 4198, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 411, 412, 413, 415, 416, 417,
&end
#
# 0 AMB 20-2:4199 128 ILE QG2 2.80 (# 4199:20 Single Ambig)
&rst
ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2069,2088,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:4200 128 ILE QG2 4.50 (# 4200:20 Single Ambig)
&rst
ixpk= 4200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2199,2200,2144,1547,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:4201 128 ILE QG2 4.50 (# 4201:20 Single Ambig)
&rst
ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1498,2199,2200,
igr2=2071,2072,2073,
&end
#
# 96 CYS HB- 128 ILE QG2 4.50 (# 4202:20 Unique 2.97, 4.68 A)
&rst
ixpk= 4202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1549,1550,
igr2=2071,2072,2073,
&end
#
# 0 AMB 20-2:4203 118 MET ME 3.50 (# 4203:20 Single Ambig)
&rst
ixpk= 4203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1958,1959,1799,1800, 455, 456,
igr2=1926,1927,1928,
&end
#
# 4 LEU HN 4 LEU HG 4.50 (# 4204:20 Unique 2.00, 2.59 A)
&rst
ixpk= 4204, nxpk= 20, iat= 46, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:4205 0 AMB 20-1:4205 2.80 (# 4205:20 Double Ambig)
&rst
ixpk= 4205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 78, 79, 80, 55, 56, 57, 59, 60, 61, 55,
56, 57, 59, 60, 61, 992, 993, 994, 996, 997,
998, 992, 993, 994, 996, 997, 998,
igr2= 53, 990,
&end
#
# 148 LEU HA 148 LEU MDX 4.50 (# 4206:20 Unique 2.00, 3.84 A)
&rst
ixpk= 4206, nxpk= 20, iat=2367, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2374,2375,2376,2378,2379,2380,
&end
#
# 145 ARG HN 148 LEU MDX 4.50 (# 4207:20 Unique 7.40,11.17 A)
&rst
ixpk= 4207, nxpk= 20, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2374,2375,2376,2378,2379,2380,
&end
#
# 0 AMB 20-2:4208 75 LEU HG 5.50 (# 4208:20 Single Ambig)
&rst
ixpk= 4208, nxpk= 20, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1799,1800, 306, 307,1183,1184,
&end
#
# 74 ASP HA 73 ILE QG2 5.50 (# 4211:20 Unique 4.80, 5.73 A)
&rst
ixpk= 4211, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 110 GLU HA 73 ILE QG2 4.50 (# 4212:20 Unique 2.98, 4.60 A)
&rst
ixpk= 4212, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1179,1180,1181,
&end
#
# 0 AMB 20-2:4214 0 AMB 20-1:4214 4.50 (# 4214:20 Double Ambig)
&rst
ixpk= 4214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 385, 386, 385, 386,
&end
#
# 0 AMB 20-2:4215 13 VAL MGX 3.50 (# 4215:20 Single Ambig)
&rst
ixpk= 4215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 187,1452,2114,2115,
igr2= 203, 204, 205, 207, 208, 209,
&end
#
# 0 AMB 20-2:4216 0 AMB 20-1:4216 3.50 (# 4216:20 Double Ambig)
&rst
ixpk= 4216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2249,2038,
igr2=2251,1995,
&end
#
# 0 AMB 20-2:4219 0 AMB 20-1:4219 2.80 (# 4219:20 Double Ambig)
&rst
ixpk= 4219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 956, 237,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 239, 240, 241,
&end
#
# 114 LEU HA 109 VAL HB 7.00 (# 4221:20 Unique 2.80, 5.24 A)
&rst
ixpk= 4221, nxpk= 20, iat=1850,1765, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 58 GLU HN 58 GLU HB+ 4.50 (# 4222:20 Unique 2.57, 3.83 A)
&rst
ixpk= 4222, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 943, 944,
&end
#
# 58 GLU HN 58 GLU HB- 4.50 (# 4223:20 Unique 2.57, 3.83 A)
&rst
ixpk= 4223, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 943, 944,
&end
#
# 58 GLU HB+ 58 GLU HA 5.50 (# 4224:20 Unique 2.27, 2.54 A)
&rst
ixpk= 4224, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 943, 944,
&end
#
# 105 LEU HB- 0 AMB 20-1:4225 4.50 (# 4225:20 Single Ambig)
&rst
ixpk= 4225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1686,1687,
igr2=1732,1733,1732,1733,
&end
#
# 0 AMB 20-2:4226 0 AMB 20-1:4226 4.50 (# 4226:20 Double Ambig)
&rst
ixpk= 4226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 268, 269, 306, 307,
igr2= 266, 304,
&end
#
# 19 LEU HB- 19 LEU HA 4.50 (# 4227:20 Unique 2.20, 2.63 A)
&rst
ixpk= 4227, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 29 LYS HB- 29 LYS HA 3.50 (# 4228:20 Unique 2.32, 2.77 A)
&rst
ixpk= 4228, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 455, 456,
&end
#
# 0 AMB 20-2:4229 0 AMB 20-1:4229 3.50 (# 4229:20 Double Ambig)
&rst
ixpk= 4229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 641, 642,2026, 557, 558,
igr2= 639,1975,
&end
#
# 78 TYR HB- 78 TYR HA 4.50 (# 4230:20 Unique 2.53, 2.85 A)
&rst
ixpk= 4230, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1268,1269,
&end
#
# 99 ASP HB- 99 ASP HA 3.50 (# 4231:20 Unique 2.46, 2.86 A)
&rst
ixpk= 4231, nxpk= 20, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1599,1600,
&end
#
# 101 LEU HB+ 101 LEU HA 3.50 (# 4232:20 Unique 2.24, 2.65 A)
&rst
ixpk= 4232, nxpk= 20, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1622,1623,
&end
#
# 0 AMB 20-2:4233 0 AMB 20-1:4233 3.50 (# 4233:20 Double Ambig)
&rst
ixpk= 4233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1751,1752, 531, 532, 531, 532,
igr2=1749, 529,
&end
#
# 0 AMB 20-2:4237 0 AMB 20-1:4237 3.50 (# 4237:20 Double Ambig)
&rst
ixpk= 4237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 693, 380,
igr2= 740, 741, 382, 383,
&end
#
# 0 AMB 10-2:0 60 ALA HN 5.50 (# 0:10 Single Ambig)
&rst
ixpk= 0, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1080,1096,
&end
#
# 67 VAL HN 60 ALA HN 4.50 (# 1:10 Unique 2.60, 3.02 A)
&rst
ixpk= 1, nxpk= 10, iat=1076, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 VAL HA 60 ALA HN 4.50 (# 2:10 Unique 2.76, 3.34 A)
&rst
ixpk= 2, nxpk= 10, iat=1094, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HA 60 ALA HN 2.80 (# 3:10 Unique 2.21, 2.53 A)
&rst
ixpk= 3, nxpk= 10, iat= 956, 973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ALA MB 60 ALA HN 3.50 (# 5:10 Unique 2.31, 3.30 A)
&rst
ixpk= 5, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 977, 978, 979,
&end
#
# 69 TYR HD 60 ALA HN 4.50 (# 6:10 Unique 3.95, 6.45 A)
&rst
ixpk= 6, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1125,
&end
#
# 59 ILE HG1+ 60 ALA HN 4.50 (# 7:10 Unique 1.97, 3.43 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 964, 965,
&end
#
# 0 AMB 10-2:8 60 ALA HN 3.50 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 964, 965,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088,
&end
#
# 0 AMB 10-2:9 60 ALA HN 3.50 (# 9:10 Single Ambig)
&rst
ixpk= 9, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 960, 961, 962, 967, 968, 969,
&end
#
# 59 ILE HN 60 ALA HN 5.50 (# 10:10 Unique 4.29, 4.36 A)
&rst
ixpk= 10, nxpk= 10, iat= 954, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HN 60 ALA HN 4.50 (# 11:10 Unique 1.83, 3.38 A)
&rst
ixpk= 11, nxpk= 10, iat= 983, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 LEU HA 135 LEU HN 5.50 (# 12:10 Unique 2.75, 2.90 A)
&rst
ixpk= 12, nxpk= 10, iat=2163,2161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 ILE HA 135 LEU HN 4.50 (# 13:10 Unique 2.18, 2.26 A)
&rst
ixpk= 13, nxpk= 10, iat=2144,2161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:14 135 LEU HN 4.50 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2165,2166,2146,2152,2153,2152,2153,
&end
#
# 0 AMB 10-2:15 135 LEU HN 3.50 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,2155,2156,2157,
&end
#
# 0 AMB 10-2:16 135 LEU HN 5.50 (# 16:10 Single Ambig)
&rst
ixpk= 16, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,2155,2156,2157,
&end
#
# 0 AMB 10-2:17 135 LEU HN 7.00 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2165,2166,2146,
&end
#
# 27 PHE HB- 28 ALA HN 4.50 (# 18:10 Unique 1.83, 3.43 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 29 LYS HN 28 ALA HN 4.50 (# 20:10 Unique 3.56, 3.87 A)
&rst
ixpk= 20, nxpk= 10, iat= 451, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:21 28 ALA HN 5.50 (# 21:10 Single Ambig)
&rst
ixpk= 21, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1983,1987,1981,1989,
&end
#
# 27 PHE HD 28 ALA HN 3.50 (# 22:10 Unique 1.92, 3.37 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 429, 437,
&end
#
# 17 LEU HA 28 ALA HN 5.50 (# 23:10 Unique 2.10, 3.83 A)
&rst
ixpk= 23, nxpk= 10, iat= 266, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ALA HA 28 ALA HN 2.80 (# 24:10 Unique 2.21, 2.59 A)
&rst
ixpk= 24, nxpk= 10, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 PHE HA 28 ALA HN 3.50 (# 25:10 Unique 2.24, 2.85 A)
&rst
ixpk= 25, nxpk= 10, iat= 423, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:26 28 ALA HN 7.00 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 453, 380,
&end
#
# 27 PHE HB+ 28 ALA HN 3.50 (# 27:10 Unique 1.83, 3.43 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 425, 426,
&end
#
# 0 AMB 10-2:29 28 ALA HN 7.00 (# 29:10 Single Ambig)
&rst
ixpk= 29, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1926,1927,1928,2026,
&end
#
# 0 AMB 10-2:30 28 ALA HN 5.50 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 268, 269, 382, 383,
&end
#
# 0 AMB 10-2:31 28 ALA HN 5.50 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 293, 294, 287,
&end
#
# 0 AMB 10-2:32 28 ALA HN 5.50 (# 32:10 Single Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 268, 269, 455, 456, 406, 407, 406, 407,
&end
#
# 28 ALA MB 28 ALA HN 2.80 (# 33:10 Unique 2.79, 3.57 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 445, 446, 447,
&end
#
# 0 AMB 10-2:34 28 ALA HN 4.50 (# 34:10 Single Ambig)
&rst
ixpk= 34, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 455, 456, 385, 386,
&end
#
# 27 PHE HN 28 ALA HN 4.50 (# 36:10 Unique 2.76, 3.89 A)
&rst
ixpk= 36, nxpk= 10, iat= 421, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 PHE HE 28 ALA HN 5.50 (# 37:10 Unique 4.66, 6.68 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1983,1987,
&end
#
# 111 LYS HA 111 LYS HN 5.50 (# 40:10 Unique 2.66, 2.75 A)
&rst
ixpk= 40, nxpk= 10, iat=1794,1792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HB- 111 LYS HN 4.50 (# 41:10 Unique 1.98, 2.80 A)
&rst
ixpk= 41, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 110 GLU HA 111 LYS HN 4.50 (# 42:10 Unique 2.51, 2.79 A)
&rst
ixpk= 42, nxpk= 10, iat=1779,1792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:43 111 LYS HN 3.50 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1781,1782,1796,1797,
&end
#
# 111 LYS HB- 111 LYS HN 4.50 (# 44:10 Unique 2.14, 2.88 A)
&rst
ixpk= 44, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1796,1797,
&end
#
# 0 AMB 10-2:45 111 LYS HN 4.50 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
&end
#
# 112 ARG HN 111 LYS HN 5.50 (# 46:10 Unique 2.41, 2.93 A)
&rst
ixpk= 46, nxpk= 10, iat=1814,1792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HB+ 111 LYS HN 5.50 (# 47:10 Unique 1.91, 2.88 A)
&rst
ixpk= 47, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1781,1782,
&end
#
# 111 LYS HG- 111 LYS HN 5.50 (# 48:10 Unique 1.88, 3.24 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1799,1800,
&end
#
# 0 AMB 10-2:49 111 LYS HN 4.50 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
&end
#
# 78 TYR HD 19 LEU HN 5.50 (# 50:10 Unique 2.11, 4.83 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1272,1281,
&end
#
# 19 LEU HG 19 LEU HN 4.50 (# 51:10 Unique 1.89, 2.52 A)
&rst
ixpk= 51, nxpk= 10, iat= 309, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:52 19 LEU HN 2.80 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1213,1214,1215,1217,1218,1219,1213,1214,
1215,1217,1218,1219,
&end
#
# 20 ASP HN 19 LEU HN 5.50 (# 53:10 Unique 4.35, 4.50 A)
&rst
ixpk= 53, nxpk= 10, iat= 321, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 TYR HE 19 LEU HN 5.50 (# 54:10 Unique 2.04, 5.02 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1274,1279,
&end
#
# 18 ILE HA 19 LEU HN 2.80 (# 55:10 Unique 2.18, 2.24 A)
&rst
ixpk= 55, nxpk= 10, iat= 285, 302, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:56 19 LEU HN 4.50 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1227,1228,1227,1228,1268,1269,
&end
#
# 19 LEU HB+ 19 LEU HN 4.50 (# 57:10 Unique 2.26, 3.23 A)
&rst
ixpk= 57, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 18 ILE QG2 19 LEU HN 3.50 (# 58:10 Unique 2.71, 4.27 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 289, 290, 291,
&end
#
# 0 AMB 10-2:59 19 LEU HN 4.50 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1223,1277,
&end
#
# 19 LEU HB- 19 LEU HN 4.50 (# 60:10 Unique 2.26, 3.23 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 0 AMB 10-2:61 67 VAL HN 4.50 (# 61:10 Single Ambig)
&rst
ixpk= 61, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1002,1062,
&end
#
# 110 GLU HB+ 111 LYS HN 5.50 (# 62:10 Unique 1.91, 2.88 A)
&rst
ixpk= 62, nxpk= 10, iat= -1,1792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1781,1782,
&end
#
# 19 LEU HA 19 LEU HN 4.50 (# 63:10 Unique 2.89, 2.92 A)
&rst
ixpk= 63, nxpk= 10, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:64 19 LEU HN 5.50 (# 64:10 Single Ambig)
&rst
ixpk= 64, nxpk= 10, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 406, 407, 406, 407, 271,
&end
#
# 61 LEU HA 67 VAL HN 4.50 (# 65:10 Unique 2.19, 2.97 A)
&rst
ixpk= 65, nxpk= 10, iat= 985,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ALA HN 67 VAL HN 4.50 (# 66:10 Unique 2.60, 3.02 A)
&rst
ixpk= 66, nxpk= 10, iat= 973,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 THR HA 67 VAL HN 2.80 (# 68:10 Unique 2.15, 2.18 A)
&rst
ixpk= 68, nxpk= 10, iat=1064,1076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 THR HB 67 VAL HN 5.50 (# 69:10 Unique 3.27, 4.26 A)
&rst
ixpk= 69, nxpk= 10, iat=1066,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 VAL HB 67 VAL HN 3.50 (# 70:10 Unique 2.68, 3.24 A)
&rst
ixpk= 70, nxpk= 10, iat=1080,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ALA MB 67 VAL HN 4.50 (# 71:10 Unique 2.33, 4.22 A)
&rst
ixpk= 71, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 977, 978, 979,
&end
#
# 0 AMB 10-2:72 67 VAL HN 2.80 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 10-2:73 67 VAL HN 3.50 (# 73:10 Single Ambig)
&rst
ixpk= 73, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 967, 968, 969, 992, 993, 994, 996, 997, 998, 992,
993, 994, 996, 997, 998, 960, 961, 962,1011,1012,
1013,1015,1016,1017,
&end
#
# 0 AMB 10-2:74 67 VAL HN 4.50 (# 74:10 Single Ambig)
&rst
ixpk= 74, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 964, 965, 987, 988, 987, 988, 990,
&end
#
# 68 VAL HN 67 VAL HN 5.50 (# 75:10 Unique 3.41, 4.22 A)
&rst
ixpk= 75, nxpk= 10, iat=1092,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:76 67 VAL HN 5.50 (# 76:10 Single Ambig)
&rst
ixpk= 76, nxpk= 10, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1002,1062,
&end
#
# 20 ASP HN 26 LEU HN 5.50 (# 80:10 Unique 3.51, 3.58 A)
&rst
ixpk= 80, nxpk= 10, iat= 321, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU HA 26 LEU HN 3.50 (# 81:10 Unique 1.88, 2.09 A)
&rst
ixpk= 81, nxpk= 10, iat= 304, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HA 26 LEU HN 3.50 (# 82:10 Unique 2.74, 2.80 A)
&rst
ixpk= 82, nxpk= 10, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:83 26 LEU HN 5.50 (# 83:10 Single Ambig)
&rst
ixpk= 83, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1926,1927,1928,1796,1797, 361, 362, 725, 726,
&end
#
# 26 LEU HG 26 LEU HN 3.50 (# 84:10 Unique 1.93, 2.33 A)
&rst
ixpk= 84, nxpk= 10, iat= 409, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ALA MB 26 LEU HN 7.00 (# 85:10 Unique 4.63, 6.53 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 445, 446, 447,
&end
#
# 0 AMB 10-2:86 26 LEU HN 2.80 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 19 LEU HB+ 26 LEU HN 4.50 (# 87:10 Unique 2.43, 4.37 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 0 AMB 10-2:88 26 LEU HN 5.50 (# 88:10 Single Ambig)
&rst
ixpk= 88, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 425, 426, 388, 389, 388, 389,
&end
#
# 0 AMB 10-2:89 26 LEU HN 4.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,
&end
#
# 18 ILE QG2 26 LEU HN 5.50 (# 90:10 Unique 4.28, 5.50 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 27 PHE HN 26 LEU HN 2.80 (# 91:10 Unique 2.56, 2.77 A)
&rst
ixpk= 91, nxpk= 10, iat= 421, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 ARG HA 26 LEU HN 3.50 (# 92:10 Unique 2.24, 2.34 A)
&rst
ixpk= 92, nxpk= 10, iat= 380, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:93 26 LEU HN 5.50 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 325, 326, 425, 426,
&end
#
# 0 AMB 10-2:94 26 LEU HN 2.80 (# 94:10 Single Ambig)
&rst
ixpk= 94, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 406, 407, 406, 407,
&end
#
# 18 ILE QG2 26 LEU HN 5.50 (# 95:10 Unique 4.28, 5.50 A)
&rst
ixpk= 95, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 5 ILE HA 6 LEU HN 2.80 (# 101:10 Unique 2.18, 2.35 A)
&rst
ixpk= 101, nxpk= 10, iat= 67, 84, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:102 6 LEU HN 2.80 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 88, 89, 88, 89,
&end
#
# 0 AMB 10-2:103 6 LEU HN 3.50 (# 103:10 Single Ambig)
&rst
ixpk= 103, nxpk= 10, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 71, 72, 73, 93, 94, 95, 97, 98, 99, 93,
94, 95, 97, 98, 99,
&end
#
# 6 LEU HA 6 LEU HN 3.50 (# 104:10 Unique 2.68, 2.86 A)
&rst
ixpk= 104, nxpk= 10, iat= 86, 84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HB 6 LEU HN 5.50 (# 105:10 Unique 4.09, 4.49 A)
&rst
ixpk= 105, nxpk= 10, iat= 69, 84, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:107 6 LEU HN 5.50 (# 107:10 Single Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 110, 111, 110, 111, 125, 126,
&end
#
# 93 VAL MGY 134 ILE HN 5.50 (# 110:10 Unique 3.87, 7.03 A)
&rst
ixpk= 110, nxpk= 10, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1502,1503,1504,1506,1507,1508,
&end
#
# 133 VAL HA 134 ILE HN 3.50 (# 111:10 Unique 2.18, 2.36 A)
&rst
ixpk= 111, nxpk= 10, iat=2128,2142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:112 134 ILE HN 3.50 (# 112:10 Single Ambig)
&rst
ixpk= 112, nxpk= 10, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2152,2153,2152,2153,2146,
&end
#
# 0 AMB 10-2:113 134 ILE HN 2.80 (# 113:10 Single Ambig)
&rst
ixpk= 113, nxpk= 10, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2132,2133,2134,2136,2137,2138,2090,2091,2092,2094,
2095,2096,2148,2149,2150,
&end
#
# 134 ILE HA 134 ILE HN 5.50 (# 114:10 Unique 2.27, 2.85 A)
&rst
ixpk= 114, nxpk= 10, iat=2144,2142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 ILE HA 134 ILE HN 5.50 (# 116:10 Unique 2.27, 2.85 A)
&rst
ixpk= 116, nxpk= 10, iat=2144,2142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:117 0 AMB 10-1:117 3.50 (# 117:10 Double Ambig)
&rst
ixpk= 117, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1403,1404,2253,2254,2253,2254,
igr2=1399,2206,
&end
#
# 0 AMB 10-2:118 87 GLU HN 4.50 (# 118:10 Single Ambig)
&rst
ixpk= 118, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1406,1407,1406,1407,
&end
#
# 86 ASN HA 87 GLU HN 4.50 (# 119:10 Unique 2.33, 2.86 A)
&rst
ixpk= 119, nxpk= 10, iat=1387,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ALA HN 80 ILE HN 4.50 (# 120:10 Unique 2.89, 3.34 A)
&rst
ixpk= 120, nxpk= 10, iat= 235,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ILE HA 80 ILE HN 4.50 (# 121:10 Unique 2.78, 2.87 A)
&rst
ixpk= 121, nxpk= 10, iat=1303,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HA 80 ILE HN 2.80 (# 122:10 Unique 2.18, 2.28 A)
&rst
ixpk= 122, nxpk= 10, iat=1287,1301, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 ILE HG1- 80 ILE HN 3.50 (# 123:10 Unique 1.82, 3.11 A)
&rst
ixpk= 123, nxpk= 10, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1311,1312,
&end
#
# 80 ILE HG1+ 80 ILE HN 4.50 (# 124:10 Unique 1.82, 3.11 A)
&rst
ixpk= 124, nxpk= 10, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1311,1312,
&end
#
# 0 AMB 10-2:125 80 ILE HN 2.80 (# 125:10 Single Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1314,1315,1316,1082,1083,1084,1086,1087,1088,1082,
1083,1084,1086,1087,1088,
&end
#
# 81 GLY HN 80 ILE HN 5.50 (# 126:10 Unique 4.42, 4.59 A)
&rst
ixpk= 126, nxpk= 10, iat=1320,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HB 80 ILE HN 3.50 (# 127:10 Unique 2.29, 2.51 A)
&rst
ixpk= 127, nxpk= 10, iat=1305,1301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:128 80 ILE HN 4.50 (# 128:10 Single Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 255, 256, 271,
&end
#
# 79 VAL MGY 80 ILE HN 3.50 (# 129:10 Unique 3.06, 4.84 A)
&rst
ixpk= 129, nxpk= 10, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1291,1292,1293,1295,1296,1297,
&end
#
# 0 AMB 10-2:130 80 ILE HN 4.50 (# 130:10 Single Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 203, 204, 205, 207, 208, 209,1459,1460,1461,1463,
1464,1465,1011,1012,1013,1015,1016,1017,1521,1522,
1523,1525,1526,1527,
&end
#
# 148 LEU HA 149 ARG HN 3.50 (# 133:10 Unique 2.47, 2.93 A)
&rst
ixpk= 133, nxpk= 10, iat=2367,2384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 149 ARG HA 149 ARG HN 2.80 (# 134:10 Unique 2.18, 2.71 A)
&rst
ixpk= 134, nxpk= 10, iat=2386,2384, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:135 149 ARG HN 4.50 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2394,2395,2394,2395,
&end
#
# 0 AMB 10-2:136 149 ARG HN 2.80 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2388,2389,2388,2389,
&end
#
# 0 AMB 10-2:137 149 ARG HN 2.80 (# 137:10 Single Ambig)
&rst
ixpk= 137, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2391,2392,2391,2392,2369,2370,2369,2370,
&end
#
# 147 ALA MB 149 ARG HN 4.50 (# 138:10 Unique 3.60, 5.30 A)
&rst
ixpk= 138, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2359,2360,2361,
&end
#
# 2 GLU HB- 3 ALA HN 7.00 (# 139:10 Unique 2.19, 3.62 A)
&rst
ixpk= 139, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 25, 26,
&end
#
# 0 AMB 10-2:141 149 ARG HN 4.50 (# 141:10 Single Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 146 VAL HA 149 ARG HN 4.50 (# 143:10 Unique 3.35, 4.23 A)
&rst
ixpk= 143, nxpk= 10, iat=2341,2384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:144 149 ARG HN 5.50 (# 144:10 Single Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2374,2375,2376,2378,2379,2380,2374,2375,2376,2378,
2379,2380,
&end
#
# 2 GLU HB+ 3 ALA HN 4.50 (# 148:10 Unique 2.19, 3.62 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 25, 26,
&end
#
# 3 ALA MB 3 ALA HN 2.80 (# 149:10 Unique 1.97, 3.16 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 40, 41, 42,
&end
#
# 0 AMB 10-2:150 3 ALA HN 4.50 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 88, 89, 88, 89, 53,
&end
#
# 63 GLU HN 62 LEU HN 4.50 (# 153:10 Unique 3.69, 3.96 A)
&rst
ixpk= 153, nxpk= 10, iat=1021,1002, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 LEU HA 62 LEU HN 2.80 (# 154:10 Unique 2.18, 2.21 A)
&rst
ixpk= 154, nxpk= 10, iat= 985,1002, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 LEU HA 62 LEU HN 3.50 (# 155:10 Unique 2.84, 2.90 A)
&rst
ixpk= 155, nxpk= 10, iat=1004,1002, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 THR HA 62 LEU HN 4.50 (# 156:10 Unique 3.13, 3.53 A)
&rst
ixpk= 156, nxpk= 10, iat=1064,1002, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HB+ 62 LEU HN 4.50 (# 157:10 Unique 2.77, 4.04 A)
&rst
ixpk= 157, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1047,1048,
&end
#
# 0 AMB 10-2:158 62 LEU HN 2.80 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1006,1007,1006,1007, 990,1047,1048,
&end
#
# 62 LEU HG 62 LEU HN 5.50 (# 159:10 Unique 2.17, 3.14 A)
&rst
ixpk= 159, nxpk= 10, iat=1009,1002, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:160 62 LEU HN 3.50 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 10-2:161 62 LEU HN 2.80 (# 161:10 Single Ambig)
&rst
ixpk= 161, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1011,1012,1013,1015,1016,1017,1052,1053,1054,1056,
1057,1058, 992, 993, 994, 996, 997, 998, 992, 993,
994, 996, 997, 998,
&end
#
# 67 VAL HN 62 LEU HN 4.50 (# 162:10 Unique 3.28, 4.12 A)
&rst
ixpk= 162, nxpk= 10, iat=1076,1002, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 62 LEU HN 4.50 (# 163:10 Unique 1.98, 2.88 A)
&rst
ixpk= 163, nxpk= 10, iat=1043,1002, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:164 3 ALA HN 5.50 (# 164:10 Single Ambig)
&rst
ixpk= 164, nxpk= 10, iat= -1, 36, 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
#
# 0 AMB 10-2:165 3 ALA HN 5.50 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 88, 89, 88, 89, 53,
&end
#
# 110 GLU HA 74 ASP HN 5.50 (# 167:10 Unique 2.80, 3.40 A)
&rst
ixpk= 167, nxpk= 10, iat=1779,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ILE HN 74 ASP HN 5.50 (# 168:10 Unique 4.00, 4.07 A)
&rst
ixpk= 168, nxpk= 10, iat=1173,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ASP HB+ 74 ASP HN 4.50 (# 169:10 Unique 2.81, 3.39 A)
&rst
ixpk= 169, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 74 ASP HB- 74 ASP HN 4.50 (# 170:10 Unique 2.81, 3.39 A)
&rst
ixpk= 170, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 0 AMB 10-2:171 74 ASP HN 4.50 (# 171:10 Single Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
&end
#
# 75 LEU HN 74 ASP HN 2.80 (# 172:10 Unique 1.80, 1.85 A)
&rst
ixpk= 172, nxpk= 10, iat=1204,1192, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 GLU HA 74 ASP HN 4.50 (# 173:10 Unique 2.80, 3.40 A)
&rst
ixpk= 173, nxpk= 10, iat=1779,1192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 ASP HA 74 ASP HN 3.50 (# 174:10 Unique 2.77, 2.83 A)
&rst
ixpk= 174, nxpk= 10, iat=1194,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ILE HB 74 ASP HN 2.80 (# 175:10 Unique 1.74, 1.83 A)
&rst
ixpk= 175, nxpk= 10, iat=1177,1192, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HB+ 74 ASP HN 4.50 (# 176:10 Unique 3.20, 3.67 A)
&rst
ixpk= 176, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 73 ILE HG1- 74 ASP HN 4.50 (# 177:10 Unique 3.98, 4.36 A)
&rst
ixpk= 177, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1183,1184,
&end
#
# 73 ILE QG2 74 ASP HN 2.80 (# 178:10 Unique 3.17, 3.96 A)
&rst
ixpk= 178, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1179,1180,1181,
&end
#
# 0 AMB 10-2:179 62 LEU HN 5.50 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1080,1025,1026,
&end
#
# 0 AMB 10-2:180 49 PHE HN 7.00 (# 180:10 Single Ambig)
&rst
ixpk= 180, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1=1011,1012,1013,1015,1016,1017, 885, 886,1052,1053,
1054,1056,1057,1058,
&end
#
# 0 AMB 10-2:181 49 PHE HN 5.50 (# 181:10 Single Ambig)
&rst
ixpk= 181, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 829, 830, 306, 307, 865, 866, 740, 741,
&end
#
# 73 ILE HA 74 ASP HN 4.50 (# 182:10 Unique 3.59, 3.61 A)
&rst
ixpk= 182, nxpk= 10, iat=1175,1192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:185 49 PHE HN 5.50 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 813, 827,
&end
#
# 46 LYS HA 49 PHE HN 5.50 (# 186:10 Unique 3.98, 4.41 A)
&rst
ixpk= 186, nxpk= 10, iat= 738, 791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ILE HB 49 PHE HN 3.50 (# 187:10 Unique 2.37, 2.81 A)
&rst
ixpk= 187, nxpk= 10, iat= 776, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 ILE HG1+ 49 PHE HN 5.50 (# 189:10 Unique 4.44, 4.83 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 783,
&end
#
# 48 ILE QD1 49 PHE HN 5.50 (# 190:10 Unique 4.99, 5.89 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 785, 786, 787,
&end
#
# 48 ILE QG2 49 PHE HN 3.50 (# 191:10 Unique 2.21, 3.89 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 778, 779, 780,
&end
#
# 48 ILE HA 49 PHE HN 4.50 (# 192:10 Unique 3.43, 3.60 A)
&rst
ixpk= 192, nxpk= 10, iat= 774, 791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PHE HA 49 PHE HN 3.50 (# 193:10 Unique 2.76, 2.84 A)
&rst
ixpk= 193, nxpk= 10, iat= 793, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:194 49 PHE HN 2.80 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 795, 796, 795, 796,
&end
#
# 48 ILE HG1- 49 PHE HN 5.50 (# 195:10 Unique 4.44, 4.83 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 783,
&end
#
# 0 AMB 10-2:196 49 PHE HN 4.50 (# 196:10 Single Ambig)
&rst
ixpk= 196, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 799, 807, 820, 821,
&end
#
# 0 AMB 10-2:202 130 ASP HN 5.50 (# 202:10 Single Ambig)
&rst
ixpk= 202, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2130,2054,2055,2054,2055,
&end
#
# 129 VAL HN 130 ASP HN 5.50 (# 203:10 Unique 3.44, 4.17 A)
&rst
ixpk= 203, nxpk= 10, iat=2084,2100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 VAL MGX 130 ASP HN 3.50 (# 205:10 Unique 2.18, 4.52 A)
&rst
ixpk= 205, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 10-2:206 130 ASP HN 4.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2119,2126,
&end
#
# 130 ASP HA 130 ASP HN 4.50 (# 207:10 Unique 2.64, 2.81 A)
&rst
ixpk= 207, nxpk= 10, iat=2102,2100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:208 130 ASP HN 3.50 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2104,2105,2104,2105,
&end
#
# 0 AMB 10-2:209 130 ASP HN 4.50 (# 209:10 Single Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2130,2054,2055,2054,2055,
&end
#
# 135 LEU HB+ 130 ASP HN 5.50 (# 210:10 Unique 2.89, 5.00 A)
&rst
ixpk= 210, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2165,2166,
&end
#
# 135 LEU HG 130 ASP HN 4.50 (# 211:10 Unique 3.18, 4.03 A)
&rst
ixpk= 211, nxpk= 10, iat=2168,2100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:212 130 ASP HN 2.80 (# 212:10 Single Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2170,2171,2172,2174,2175,2176,2170,2171,2172,2174,
2175,2176,2090,2091,2092,2094,2095,2096,
&end
#
# 134 ILE HA 130 ASP HN 5.50 (# 213:10 Unique 2.79, 3.26 A)
&rst
ixpk= 213, nxpk= 10, iat=2144,2100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASN HA 49 PHE HN 5.50 (# 215:10 Unique 3.54, 4.31 A)
&rst
ixpk= 215, nxpk= 10, iat= 760, 791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:217 49 PHE HN 5.50 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 829, 830, 306, 307, 865, 866, 740, 741,
&end
#
# 0 AMB 10-2:218 49 PHE HN 5.50 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1011,1012,1013,1015,1016,1017,1052,1053,1054,1056,
1057,1058,
&end
#
# 78 TYR HD 17 LEU HN 4.50 (# 225:10 Unique 3.64, 5.13 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1272,1281,
&end
#
# 0 AMB 10-2:226 30 TYR HN 4.50 (# 226:10 Single Ambig)
&rst
ixpk= 226, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 239, 240, 241, 251, 252, 253,
&end
#
# 30 TYR HD 30 TYR HN 3.50 (# 228:10 Unique 1.83, 3.56 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 481, 490,
&end
#
# 30 TYR HA 30 TYR HN 3.50 (# 229:10 Unique 2.57, 2.86 A)
&rst
ixpk= 229, nxpk= 10, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 LYS HA 30 TYR HN 2.80 (# 230:10 Unique 2.18, 2.28 A)
&rst
ixpk= 230, nxpk= 10, iat= 453, 473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 TYR HB+ 30 TYR HN 3.50 (# 231:10 Unique 2.04, 2.76 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 477, 478,
&end
#
# 30 TYR HB- 30 TYR HN 3.50 (# 232:10 Unique 2.04, 2.76 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 477, 478,
&end
#
# 29 LYS HD+ 30 TYR HN 3.50 (# 233:10 Unique 2.26, 4.02 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 461, 462,
&end
#
# 29 LYS HB- 30 TYR HN 5.50 (# 234:10 Unique 3.77, 4.50 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 455, 456,
&end
#
# 29 LYS HB+ 30 TYR HN 3.50 (# 235:10 Unique 3.77, 4.50 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 455, 456,
&end
#
# 0 AMB 10-2:236 30 TYR HN 4.50 (# 236:10 Single Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 458, 459, 458, 459, 659, 660, 659, 660,
&end
#
# 0 AMB 10-2:238 14 LYS HN 5.50 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1301, 183,
&end
#
# 14 LYS HA 14 LYS HN 4.50 (# 239:10 Unique 2.84, 2.92 A)
&rst
ixpk= 239, nxpk= 10, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ALA HN 14 LYS HN 3.50 (# 240:10 Unique 1.90, 2.24 A)
&rst
ixpk= 240, nxpk= 10, iat= 235, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 GLY HA+ 14 LYS HN 4.50 (# 241:10 Unique 1.95, 3.60 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1322,1323,
&end
#
# 13 VAL HA 14 LYS HN 2.80 (# 242:10 Unique 2.18, 2.42 A)
&rst
ixpk= 242, nxpk= 10, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:243 14 LYS HN 2.80 (# 243:10 Single Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 201, 217, 218,
&end
#
# 13 VAL MGY 14 LYS HN 3.50 (# 244:10 Unique 1.94, 3.93 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 203, 204, 205, 207, 208, 209,
&end
#
# 13 VAL MGX 14 LYS HN 3.50 (# 245:10 Unique 1.94, 3.93 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 203, 204, 205, 207, 208, 209,
&end
#
# 80 ILE QG2 14 LYS HN 4.50 (# 246:10 Unique 4.29, 5.44 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1307,1308,1309,
&end
#
# 78 TYR HN 17 LEU HN 3.50 (# 247:10 Unique 3.05, 3.37 A)
&rst
ixpk= 247, nxpk= 10, iat=1264, 264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ILE HN 17 LEU HN 7.00 (# 249:10 Unique 4.06, 4.66 A)
&rst
ixpk= 249, nxpk= 10, iat=1301, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 ILE HN 17 LEU HN 7.00 (# 250:10 Unique 4.25, 4.43 A)
&rst
ixpk= 250, nxpk= 10, iat= 245, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:251 17 LEU HN 5.50 (# 251:10 Single Ambig)
&rst
ixpk= 251, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 429, 437, 711, 715,
&end
#
# 17 LEU HA 17 LEU HN 4.50 (# 252:10 Unique 2.88, 2.91 A)
&rst
ixpk= 252, nxpk= 10, iat= 266, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 ILE HA 17 LEU HN 2.80 (# 253:10 Unique 2.19, 2.25 A)
&rst
ixpk= 253, nxpk= 10, iat= 247, 264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:254 17 LEU HN 4.50 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1287, 443,
&end
#
# 78 TYR HB+ 17 LEU HN 3.50 (# 255:10 Unique 1.95, 3.02 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1268,1269,
&end
#
# 0 AMB 10-2:256 17 LEU HN 3.50 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 268, 269, 255, 256,
&end
#
# 17 LEU HG 17 LEU HN 2.80 (# 257:10 Unique 2.06, 2.37 A)
&rst
ixpk= 257, nxpk= 10, iat= 271, 264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 ILE QG2 17 LEU HN 2.80 (# 258:10 Unique 2.08, 3.36 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 251, 252, 253,
&end
#
# 0 AMB 10-2:259 17 LEU HN 3.50 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 273, 274, 275, 277, 278, 279, 293, 294,
&end
#
# 30 TYR HE 30 TYR HN 5.50 (# 261:10 Unique 4.08, 5.56 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 483, 488,
&end
#
# 29 LYS HE+ 30 TYR HN 5.50 (# 262:10 Unique 1.95, 3.18 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 464, 465,
&end
#
# 14 LYS HB- 14 LYS HN 4.50 (# 266:10 Unique 2.26, 2.91 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 217, 218,
&end
#
# 29 LYS HA 29 LYS HN 5.50 (# 268:10 Unique 2.78, 2.88 A)
&rst
ixpk= 268, nxpk= 10, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HE+ 29 LYS HN 4.50 (# 269:10 Unique 1.73, 4.74 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 464, 465,
&end
#
# 0 AMB 10-2:270 29 LYS HN 5.50 (# 270:10 Single Ambig)
&rst
ixpk= 270, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 477, 478,1268,1269,
&end
#
# 27 PHE HD 29 LYS HN 4.50 (# 271:10 Unique 3.27, 5.39 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 429, 437,
&end
#
# 30 TYR HE 29 LYS HN 5.50 (# 272:10 Unique 3.79, 5.98 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 483, 488,
&end
#
# 29 LYS HA 29 LYS HN 3.50 (# 273:10 Unique 2.78, 2.88 A)
&rst
ixpk= 273, nxpk= 10, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE HN 29 LYS HN 5.50 (# 274:10 Unique 4.74, 5.14 A)
&rst
ixpk= 274, nxpk= 10, iat= 283, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ALA HN 29 LYS HN 4.50 (# 275:10 Unique 3.56, 3.87 A)
&rst
ixpk= 275, nxpk= 10, iat= 441, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:276 0 AMB 10-1:276 2.80 (# 276:10 Double Ambig)
&rst
ixpk= 276, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1011,1012,1013,1015,1016,1017, 273, 274, 275, 277,
278, 279,
igr2= 983, 451,
&end
#
# 0 AMB 10-2:277 0 AMB 10-1:277 2.80 (# 277:10 Double Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 445, 446, 447,1068,1069,1070,
igr2= 451, 983,
&end
#
# 0 AMB 10-2:279 0 AMB 10-1:279 2.80 (# 279:10 Double Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 985, 266,
igr2= 983, 451,
&end
#
# 0 AMB 10-2:280 0 AMB 10-1:280 3.50 (# 280:10 Double Ambig)
&rst
ixpk= 280, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,1011,1012,1013,1015,1016,1017, 458, 459,
458, 459,
igr2= 983, 451,
&end
#
# 0 AMB 10-2:282 0 AMB 10-1:282 2.80 (# 282:10 Double Ambig)
&rst
ixpk= 282, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 977, 978, 979, 455, 456,
igr2= 983, 451,
&end
#
# 60 ALA HN 61 LEU HN 4.50 (# 286:10 Unique 1.83, 3.38 A)
&rst
ixpk= 286, nxpk= 10, iat= 973, 983, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:288 0 AMB 10-1:288 2.80 (# 288:10 Double Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 461, 462, 990, 987, 988, 987, 988,
igr2= 451, 983,
&end
#
# 7 GLU HA 7 GLU HN 3.50 (# 291:10 Unique 2.18, 2.64 A)
&rst
ixpk= 291, nxpk= 10, iat= 105, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:293 7 GLU HN 4.50 (# 293:10 Single Ambig)
&rst
ixpk= 293, nxpk= 10, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 119, 120, 119, 120,
&end
#
# 7 GLU HB+ 7 GLU HN 2.80 (# 294:10 Unique 2.82, 3.29 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 107, 108,
&end
#
# 0 AMB 10-2:295 7 GLU HN 2.80 (# 295:10 Single Ambig)
&rst
ixpk= 295, nxpk= 10, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 91, 88, 89, 88, 89,
&end
#
# 6 LEU HA 7 GLU HN 3.50 (# 297:10 Unique 2.38, 3.25 A)
&rst
ixpk= 297, nxpk= 10, iat= 86, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:298 7 GLU HN 2.80 (# 298:10 Single Ambig)
&rst
ixpk= 298, nxpk= 10, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 110, 111, 110, 111,
&end
#
# 0 AMB 10-2:299 7 GLU HN 2.80 (# 299:10 Single Ambig)
&rst
ixpk= 299, nxpk= 10, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 107, 108, 122, 123, 122, 123,
&end
#
# 0 AMB 10-2:301 10 LEU HN 5.50 (# 301:10 Single Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 122, 123, 122, 123,
&end
#
# 0 AMB 10-2:302 61 LEU HN 5.50 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 838, 839,1112,1113,
&end
#
# 0 AMB 10-2:305 5 ILE HN 3.50 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 50, 51, 50, 51, 53,
&end
#
# 0 AMB 10-2:306 5 ILE HN 3.50 (# 306:10 Single Ambig)
&rst
ixpk= 306, nxpk= 10, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 78, 79, 80, 55, 56, 57, 59, 60, 61, 55,
56, 57, 59, 60, 61,
&end
#
# 0 AMB 10-2:307 10 LEU HN 5.50 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1357,1366, 170, 179,
&end
#
# 0 AMB 10-2:309 10 LEU HN 2.80 (# 309:10 Single Ambig)
&rst
ixpk= 309, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 145, 134,
&end
#
# 0 AMB 10-2:310 10 LEU HN 3.50 (# 310:10 Single Ambig)
&rst
ixpk= 310, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 136, 137, 136, 137,
&end
#
# 0 AMB 10-2:311 10 LEU HN 2.80 (# 311:10 Single Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 147, 148, 147, 148,
&end
#
# 0 AMB 10-2:312 10 LEU HN 3.50 (# 312:10 Single Ambig)
&rst
ixpk= 312, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 152, 153, 154, 156, 157, 158, 152, 153, 154, 156,
157, 158,
&end
#
# 9 SER HN 10 LEU HN 4.50 (# 313:10 Unique 1.87, 2.17 A)
&rst
ixpk= 313, nxpk= 10, iat= 132, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 PRO HB- 10 LEU HN 5.50 (# 314:10 Unique 2.18, 4.50 A)
&rst
ixpk= 314, nxpk= 10, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 125, 126,
&end
#
# 4 LEU HA 5 ILE HN 3.50 (# 316:10 Unique 2.21, 3.26 A)
&rst
ixpk= 316, nxpk= 10, iat= 48, 65, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HA 5 ILE HN 3.50 (# 317:10 Unique 2.68, 2.88 A)
&rst
ixpk= 317, nxpk= 10, iat= 67, 65, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HB 5 ILE HN 3.50 (# 319:10 Unique 2.34, 2.53 A)
&rst
ixpk= 319, nxpk= 10, iat= 69, 65, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HG1- 5 ILE HN 3.50 (# 320:10 Unique 1.90, 3.72 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 75, 76,
&end
#
# 0 AMB 10-2:321 68 VAL HN 5.50 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 973,1320,
&end
#
# 0 AMB 10-2:322 73 ILE HN 5.50 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1756,1757, 342, 343,1585,1589,
&end
#
# 78 TYR HA 68 VAL HN 7.00 (# 323:10 Unique 3.96, 4.72 A)
&rst
ixpk= 323, nxpk= 10, iat=1266,1092, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:325 0 AMB 10-1:325 5.50 (# 325:10 Double Ambig)
&rst
ixpk= 325, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 956,1153,
igr2=1092,1173,
&end
#
# 0 AMB 10-2:326 0 AMB 10-1:326 3.50 (# 326:10 Double Ambig)
&rst
ixpk= 326, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1096,1177,
igr2=1092,1173,
&end
#
# 0 AMB 10-2:327 68 VAL HN 2.80 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1082,1083,1084,1086,1087,1088,1082,1083,
1084,1086,1087,1088,
&end
#
# 79 VAL HN 68 VAL HN 3.50 (# 328:10 Unique 2.32, 3.02 A)
&rst
ixpk= 328, nxpk= 10, iat=1285,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:329 73 ILE HN 5.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1204,1756,1757,
&end
#
# 0 AMB 10-2:330 0 AMB 10-1:330 4.50 (# 330:10 Double Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1162,1301,
igr2=1173,1092,
&end
#
# 0 AMB 10-2:331 0 AMB 10-1:331 4.50 (# 331:10 Double Ambig)
&rst
ixpk= 331, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1192,1108,
igr2=1173,1092,
&end
#
# 72 SER HA 73 ILE HN 2.80 (# 332:10 Unique 2.23, 2.37 A)
&rst
ixpk= 332, nxpk= 10, iat=1164,1173, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 SER HB- 73 ILE HN 3.50 (# 333:10 Unique 2.61, 3.66 A)
&rst
ixpk= 333, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1166,1167,
&end
#
# 72 SER HB+ 73 ILE HN 3.50 (# 334:10 Unique 2.61, 3.66 A)
&rst
ixpk= 334, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1166,1167,
&end
#
# 73 ILE HA 73 ILE HN 2.80 (# 335:10 Unique 2.21, 2.21 A)
&rst
ixpk= 335, nxpk= 10, iat=1175,1173, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ILE HG1+ 73 ILE HN 2.80 (# 336:10 Unique 2.25, 3.17 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1183,1184,
&end
#
# 73 ILE HG1- 73 ILE HN 2.80 (# 337:10 Unique 2.25, 3.17 A)
&rst
ixpk= 337, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1183,1184,
&end
#
# 79 VAL HB 68 VAL HN 3.50 (# 339:10 Unique 2.49, 3.37 A)
&rst
ixpk= 339, nxpk= 10, iat=1289,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR HB 56 ASP HN 5.50 (# 342:10 Unique 1.94, 3.19 A)
&rst
ixpk= 342, nxpk= 10, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:343 56 ASP HN 4.50 (# 343:10 Single Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 920, 921, 920, 921,
&end
#
# 93 VAL HA 97 LEU HN 4.50 (# 345:10 Unique 2.89, 3.46 A)
&rst
ixpk= 345, nxpk= 10, iat=1498,1556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 LEU HB+ 97 LEU HN 2.80 (# 346:10 Unique 2.00, 2.49 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1560,1561,
&end
#
# 97 LEU HB- 97 LEU HN 2.80 (# 347:10 Unique 2.00, 2.49 A)
&rst
ixpk= 347, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1560,1561,
&end
#
# 128 ILE QG2 97 LEU HN 4.50 (# 348:10 Unique 3.24, 4.38 A)
&rst
ixpk= 348, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2071,2072,2073,
&end
#
# 96 CYS HN 97 LEU HN 3.50 (# 349:10 Unique 2.39, 2.87 A)
&rst
ixpk= 349, nxpk= 10, iat=1545,1556, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 CYS HB+ 97 LEU HN 4.50 (# 350:10 Unique 1.91, 2.69 A)
&rst
ixpk= 350, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1549,1550,
&end
#
# 96 CYS HB- 97 LEU HN 3.50 (# 351:10 Unique 1.91, 2.69 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1549,1550,
&end
#
# 0 AMB 10-2:352 0 AMB 10-1:352 5.50 (# 352:10 Double Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1535,1536,1535,1536, 477, 478, 682, 683,
igr2=1556, 599,
&end
#
# 0 AMB 10-2:353 97 LEU HN 4.50 (# 353:10 Single Ambig)
&rst
ixpk= 353, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1579,1580,1500,2222,2223,
&end
#
# 0 AMB 10-2:354 56 ASP HN 5.50 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 946, 947, 946, 947,
&end
#
# 55 THR MG2 56 ASP HN 4.50 (# 355:10 Unique 1.93, 3.14 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 908, 909, 910,
&end
#
# 55 THR HA 56 ASP HN 3.50 (# 356:10 Unique 2.27, 2.69 A)
&rst
ixpk= 356, nxpk= 10, iat= 904, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:360 0 AMB 10-1:360 3.50 (# 360:10 Double Ambig)
&rst
ixpk= 360, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 592, 593,1558,
igr2= 599,1556,
&end
#
# 0 AMB 10-2:361 0 AMB 10-1:361 2.80 (# 361:10 Double Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 605, 606, 607, 609, 610, 611,1565,1566,1567,1569,
1570,1571,
igr2= 599,1556,
&end
#
# 128 ILE QD1 97 LEU HN 2.80 (# 362:10 Unique 2.51, 3.73 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2078,2079,2080,
&end
#
# 3 ALA HN 4 LEU HN 4.50 (# 364:10 Unique 3.66, 4.30 A)
&rst
ixpk= 364, nxpk= 10, iat= 36, 46, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:365 4 LEU HN 5.50 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1374,1375,1374,1375, 25, 26,
&end
#
# 0 AMB 10-2:366 4 LEU HN 4.50 (# 366:10 Single Ambig)
&rst
ixpk= 366, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 55, 56, 57, 59, 60, 61, 55, 56, 57, 59,
60, 61,
&end
#
# 35 TYR HD 44 PHE HN 5.50 (# 367:10 Unique 3.38, 5.50 A)
&rst
ixpk= 367, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 570,
&end
#
# 0 AMB 10-2:368 38 VAL HN 4.50 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 656, 657, 619, 620, 679, 680, 676, 677,
&end
#
# 0 AMB 10-2:370 38 VAL HN 5.50 (# 370:10 Single Ambig)
&rst
ixpk= 370, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 592, 593, 584,
&end
#
# 38 VAL HA 38 VAL HN 4.50 (# 371:10 Unique 2.21, 2.73 A)
&rst
ixpk= 371, nxpk= 10, iat= 601, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 VAL HB 38 VAL HN 3.50 (# 372:10 Unique 2.47, 2.65 A)
&rst
ixpk= 372, nxpk= 10, iat= 603, 599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:375 4 LEU HN 2.80 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 38, 48,
&end
#
# 0 AMB 10-2:376 4 LEU HN 2.80 (# 376:10 Single Ambig)
&rst
ixpk= 376, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 53, 50, 51, 50, 51,
&end
#
# 3 ALA MB 4 LEU HN 4.50 (# 377:10 Unique 2.47, 3.91 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 40, 41, 42,
&end
#
# 3 ALA HN 4 LEU HN 5.50 (# 378:10 Unique 3.66, 4.30 A)
&rst
ixpk= 378, nxpk= 10, iat= 36, 46, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:379 4 LEU HN 7.00 (# 379:10 Single Ambig)
&rst
ixpk= 379, nxpk= 10, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 67,1038,1039,
&end
#
# 49 PHE HD 53 HIS HN 5.50 (# 380:10 Unique 3.31, 5.67 A)
&rst
ixpk= 380, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 799, 807,
&end
#
# 53 HIS HA 53 HIS HN 4.50 (# 382:10 Unique 2.26, 2.75 A)
&rst
ixpk= 382, nxpk= 10, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 HIS HB+ 53 HIS HN 4.50 (# 383:10 Unique 2.09, 2.64 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 865, 866,
&end
#
# 52 THR HN 53 HIS HN 4.50 (# 384:10 Unique 1.89, 2.68 A)
&rst
ixpk= 384, nxpk= 10, iat= 847, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLN HN 44 PHE HN 5.50 (# 387:10 Unique 4.95, 5.23 A)
&rst
ixpk= 387, nxpk= 10, iat= 652, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:388 44 PHE HN 4.50 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 671, 738,
&end
#
# 45 GLU HN 44 PHE HN 3.50 (# 390:10 Unique 2.51, 2.62 A)
&rst
ixpk= 390, nxpk= 10, iat= 721, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ALA HN 44 PHE HN 2.80 (# 391:10 Unique 1.88, 1.99 A)
&rst
ixpk= 391, nxpk= 10, iat= 691, 701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 ASN HD2+ 44 PHE HN 5.50 (# 392:10 Unique 3.96, 5.13 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 767, 768,
&end
#
# 44 PHE HA 44 PHE HN 3.50 (# 393:10 Unique 2.74, 2.81 A)
&rst
ixpk= 393, nxpk= 10, iat= 703, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:394 44 PHE HN 3.50 (# 394:10 Single Ambig)
&rst
ixpk= 394, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 693, 639,
&end
#
# 41 GLN HA 44 PHE HN 4.50 (# 395:10 Unique 2.86, 3.41 A)
&rst
ixpk= 395, nxpk= 10, iat= 654, 701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 PHE HB+ 44 PHE HN 2.80 (# 396:10 Unique 2.13, 2.36 A)
&rst
ixpk= 396, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 705, 706,
&end
#
# 44 PHE HB- 44 PHE HN 2.80 (# 397:10 Unique 2.13, 2.36 A)
&rst
ixpk= 397, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 705, 706,
&end
#
# 0 AMB 10-2:398 44 PHE HN 4.50 (# 398:10 Single Ambig)
&rst
ixpk= 398, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 728, 729, 641, 642,
&end
#
# 0 AMB 10-2:399 44 PHE HN 4.50 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 557, 558, 725, 726, 641, 642,
&end
#
# 0 AMB 10-2:400 44 PHE HN 4.50 (# 400:10 Single Ambig)
&rst
ixpk= 400, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657, 725, 726,
&end
#
# 43 ALA MB 44 PHE HN 2.80 (# 401:10 Unique 2.43, 3.44 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 695, 696, 697,
&end
#
# 0 AMB 10-2:402 38 VAL HN 4.50 (# 402:10 Single Ambig)
&rst
ixpk= 402, nxpk= 10, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 615, 652,
&end
#
# 0 AMB 10-2:403 77 PHE HN 5.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1139,1140,
&end
#
# 70 LYS HN 77 PHE HN 4.50 (# 404:10 Unique 2.59, 2.88 A)
&rst
ixpk= 404, nxpk= 10, iat=1129,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 SER HA 77 PHE HN 3.50 (# 405:10 Unique 2.38, 3.35 A)
&rst
ixpk= 405, nxpk= 10, iat=1153,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 PHE HA 77 PHE HN 4.50 (# 406:10 Unique 2.85, 2.90 A)
&rst
ixpk= 406, nxpk= 10, iat=1246,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 PHE HB+ 77 PHE HN 3.50 (# 407:10 Unique 1.95, 2.82 A)
&rst
ixpk= 407, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1248,1249,
&end
#
# 70 LYS HB- 77 PHE HN 5.50 (# 408:10 Unique 2.66, 4.93 A)
&rst
ixpk= 408, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1133,1134,
&end
#
# 0 AMB 10-2:409 77 PHE HN 3.50 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1136,1137,1136,1137,
&end
#
# 93 VAL HN 92 ALA HN 2.80 (# 410:10 Unique 1.85, 2.37 A)
&rst
ixpk= 410, nxpk= 10, iat=1496,1486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:411 92 ALA HN 4.50 (# 411:10 Single Ambig)
&rst
ixpk= 411, nxpk= 10, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1540,1541,1450,
&end
#
# 0 AMB 10-2:412 92 ALA HN 2.80 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1471,1488,
&end
#
# 0 AMB 10-2:413 92 ALA HN 4.50 (# 413:10 Single Ambig)
&rst
ixpk= 413, nxpk= 10, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1476,1477,1476,1477,
&end
#
# 0 AMB 10-2:414 0 AMB 10-1:414 5.50 (# 414:10 Double Ambig)
&rst
ixpk= 414, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1500,1440,1441,1579,1580,
igr2=1486,1618,
&end
#
# 0 AMB 10-2:415 0 AMB 10-1:415 2.80 (# 415:10 Double Ambig)
&rst
ixpk= 415, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1473,1474,1473,1474,1437,1438,1560,1561,1669,1670,
1669,1670,1765,1652,1653,1652,1653,
igr2=1486,1618,
&end
#
# 92 ALA MB 92 ALA HN 2.80 (# 416:10 Unique 2.49, 3.43 A)
&rst
ixpk= 416, nxpk= 10, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1490,1491,1492,
&end
#
# 122 PHE HN 121 LEU HN 2.80 (# 417:10 Unique 2.33, 2.46 A)
&rst
ixpk= 417, nxpk= 10, iat=1973,1954, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 120 GLY HN 121 LEU HN 2.80 (# 418:10 Unique 2.29, 2.52 A)
&rst
ixpk= 418, nxpk= 10, iat=1947,1954, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 MET HA 121 LEU HN 3.50 (# 419:10 Unique 3.00, 3.41 A)
&rst
ixpk= 419, nxpk= 10, iat=1917,1954, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:420 121 LEU HN 5.50 (# 420:10 Single Ambig)
&rst
ixpk= 420, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1975,1869,
&end
#
# 121 LEU HA 121 LEU HN 2.80 (# 421:10 Unique 2.81, 2.85 A)
&rst
ixpk= 421, nxpk= 10, iat=1956,1954, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:422 121 LEU HN 3.50 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1949,1950,1949,1950,
&end
#
# 0 AMB 10-2:423 121 LEU HN 4.50 (# 423:10 Single Ambig)
&rst
ixpk= 423, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1977,1978,1977,1978,
&end
#
# 121 LEU HB+ 121 LEU HN 2.80 (# 424:10 Unique 2.00, 2.73 A)
&rst
ixpk= 424, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1958,1959,
&end
#
# 0 AMB 10-2:425 121 LEU HN 5.50 (# 425:10 Single Ambig)
&rst
ixpk= 425, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2000,1997,1998,1936,1937,1936,1937,1669,1670,
&end
#
# 0 AMB 10-2:426 121 LEU HN 4.50 (# 426:10 Single Ambig)
&rst
ixpk= 426, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1676,1677,1678,1625,
&end
#
# 0 AMB 10-2:427 121 LEU HN 5.50 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1997,1998,1686,1687,1852,1853,
&end
#
# 121 LEU HB- 121 LEU HN 2.80 (# 428:10 Unique 2.00, 2.73 A)
&rst
ixpk= 428, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1958,1959,
&end
#
# 0 AMB 10-2:429 121 LEU HN 4.50 (# 429:10 Single Ambig)
&rst
ixpk= 429, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1961,1857,1858,1859,1861,1862,1863,2002,2003,2004,
2006,2007,2008,
&end
#
# 121 LEU MDX 121 LEU HN 4.50 (# 430:10 Unique 3.42, 4.79 A)
&rst
ixpk= 430, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 10-2:431 77 PHE HN 5.50 (# 431:10 Single Ambig)
&rst
ixpk= 431, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1223,1277,
&end
#
# 69 TYR HD 77 PHE HN 4.50 (# 432:10 Unique 4.10, 6.01 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1125,
&end
#
# 78 TYR HN 77 PHE HN 5.50 (# 433:10 Unique 4.21, 4.52 A)
&rst
ixpk= 433, nxpk= 10, iat=1264,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 SER HN 77 PHE HN 5.50 (# 434:10 Unique 4.28, 4.54 A)
&rst
ixpk= 434, nxpk= 10, iat=1162,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 PHE HD 77 PHE HN 2.80 (# 435:10 Unique 1.90, 3.69 A)
&rst
ixpk= 435, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1252,1260,
&end
#
# 69 TYR HA 77 PHE HN 5.50 (# 436:10 Unique 3.94, 4.32 A)
&rst
ixpk= 436, nxpk= 10, iat=1110,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 TYR HA 77 PHE HN 2.80 (# 437:10 Unique 2.19, 2.20 A)
&rst
ixpk= 437, nxpk= 10, iat=1225,1244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:438 77 PHE HN 4.50 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1155,1156,1155,1156,
&end
#
# 0 AMB 10-2:439 77 PHE HN 3.50 (# 439:10 Single Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1227,1228,1227,1228,1112,1113,
&end
#
# 77 PHE HB- 77 PHE HN 3.50 (# 440:10 Unique 1.95, 2.82 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1248,1249,
&end
#
# 69 TYR HB+ 77 PHE HN 5.50 (# 441:10 Unique 3.38, 5.03 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112,1113,
&end
#
# 70 LYS HB+ 77 PHE HN 5.50 (# 442:10 Unique 2.66, 4.93 A)
&rst
ixpk= 442, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1133,1134,
&end
#
# 0 AMB 10-2:443 77 PHE HN 4.50 (# 443:10 Single Ambig)
&rst
ixpk= 443, nxpk= 10, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1223,1277,
&end
#
# 95 ASN HN 92 ALA HN 7.00 (# 444:10 Unique 3.11, 3.56 A)
&rst
ixpk= 444, nxpk= 10, iat=1531,1486, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:445 0 AMB 10-1:445 2.80 (# 445:10 Double Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1607,1469,
igr2=1618,1486,
&end
#
# 0 AMB 10-2:446 0 AMB 10-1:446 3.50 (# 446:10 Double Ambig)
&rst
ixpk= 446, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1622,1623,1502,1503,1504,1506,1507,1508,1098,1099,
1100,1102,1103,1104,1098,1099,1100,1102,1103,1104,
igr2=1618,1486,
&end
#
# 119 GLU HN 121 LEU HN 4.50 (# 448:10 Unique 3.69, 4.17 A)
&rst
ixpk= 448, nxpk= 10, iat=1932,1954, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:449 121 LEU HN 5.50 (# 449:10 Single Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1977,1978,1977,1978,
&end
#
# 129 VAL MGX 133 VAL HN 4.50 (# 452:10 Unique 3.89, 6.34 A)
&rst
ixpk= 452, nxpk= 10, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 133 VAL HA 133 VAL HN 4.50 (# 454:10 Unique 2.21, 2.73 A)
&rst
ixpk= 454, nxpk= 10, iat=2128,2126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 VAL HB 133 VAL HN 2.80 (# 455:10 Unique 2.16, 2.45 A)
&rst
ixpk= 455, nxpk= 10, iat=2130,2126, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:456 133 VAL HN 2.80 (# 456:10 Single Ambig)
&rst
ixpk= 456, nxpk= 10, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2132,2133,2134,2136,2137,2138,2132,2133,2134,2136,
2137,2138,
&end
#
# 132 GLY HA- 133 VAL HN 5.50 (# 457:10 Unique 2.25, 3.02 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2121,2122,
&end
#
# 78 TYR HN 79 VAL HN 4.50 (# 458:10 Unique 3.76, 4.27 A)
&rst
ixpk= 458, nxpk= 10, iat=1264,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 TYR HA 79 VAL HN 2.80 (# 459:10 Unique 2.19, 2.24 A)
&rst
ixpk= 459, nxpk= 10, iat=1266,1285, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:460 79 VAL HN 4.50 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1521,1522,1523,1525,1526,1527,1459,1460,1461,1463,
1464,1465,
&end
#
# 0 AMB 10-2:461 79 VAL HN 5.50 (# 461:10 Single Ambig)
&rst
ixpk= 461, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1108,1129,
&end
#
# 78 TYR HB- 79 VAL HN 4.50 (# 462:10 Unique 2.42, 3.89 A)
&rst
ixpk= 462, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1268,1269,
&end
#
# 0 AMB 10-2:463 79 VAL HN 5.50 (# 463:10 Single Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1080,
&end
#
# 69 TYR HB+ 79 VAL HN 5.50 (# 464:10 Unique 3.98, 4.97 A)
&rst
ixpk= 464, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112,1113,
&end
#
# 108 ASN HD2+ 109 VAL HN 7.00 (# 465:10 Unique 1.91, 4.40 A)
&rst
ixpk= 465, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1756,1757,
&end
#
# 63 GLU HB- 65 LEU HN 4.50 (# 466:10 Unique 3.34, 4.10 A)
&rst
ixpk= 466, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1025,1026,
&end
#
# 78 TYR HD 79 VAL HN 4.50 (# 467:10 Unique 3.24, 5.10 A)
&rst
ixpk= 467, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1272,1281,
&end
#
# 69 TYR HB+ 79 VAL HN 5.50 (# 468:10 Unique 3.98, 4.97 A)
&rst
ixpk= 468, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112,1113,
&end
#
# 0 AMB 10-2:469 79 VAL HN 5.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1311,1312,1133,1134,
&end
#
# 0 AMB 10-2:470 79 VAL HN 4.50 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 255, 256,1454,1455, 271, 977, 978, 979,1519, 268,
269,
&end
#
# 68 VAL HN 79 VAL HN 3.50 (# 471:10 Unique 2.32, 3.02 A)
&rst
ixpk= 471, nxpk= 10, iat=1092,1285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ILE HN 79 VAL HN 5.50 (# 472:10 Unique 3.07, 3.79 A)
&rst
ixpk= 472, nxpk= 10, iat=1301,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TYR HA 79 VAL HN 5.50 (# 473:10 Unique 3.29, 3.83 A)
&rst
ixpk= 473, nxpk= 10, iat=1110,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:474 79 VAL HN 3.50 (# 474:10 Single Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1287,1078,
&end
#
# 78 TYR HB+ 79 VAL HN 4.50 (# 475:10 Unique 2.42, 3.89 A)
&rst
ixpk= 475, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1268,1269,
&end
#
# 79 VAL HB 79 VAL HN 3.50 (# 476:10 Unique 2.26, 2.62 A)
&rst
ixpk= 476, nxpk= 10, iat=1289,1285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:477 79 VAL HN 2.80 (# 477:10 Single Ambig)
&rst
ixpk= 477, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,1291,1292,1293,1295,1296,1297,1098,1099,
1100,1102,1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 108 ASN HD2+ 109 VAL HN 7.00 (# 478:10 Unique 1.91, 4.40 A)
&rst
ixpk= 478, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1756,1757,
&end
#
# 108 ASN HN 109 VAL HN 4.50 (# 479:10 Unique 1.65, 2.67 A)
&rst
ixpk= 479, nxpk= 10, iat=1747,1761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HN 109 VAL HN 4.50 (# 480:10 Unique 1.73, 2.78 A)
&rst
ixpk= 480, nxpk= 10, iat=1777,1761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 ASN HA 109 VAL HN 3.50 (# 482:10 Unique 2.27, 3.41 A)
&rst
ixpk= 482, nxpk= 10, iat=1749,1761, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 VAL HA 109 VAL HN 3.50 (# 483:10 Unique 2.21, 2.34 A)
&rst
ixpk= 483, nxpk= 10, iat=1763,1761, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 ASN HB+ 109 VAL HN 5.50 (# 484:10 Unique 1.68, 3.54 A)
&rst
ixpk= 484, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1751,1752,
&end
#
# 0 AMB 10-2:486 109 VAL HN 3.50 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1729,1730,1765,
&end
#
# 0 AMB 10-2:487 109 VAL HN 5.50 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1729,1730,1689,
&end
#
# 0 AMB 10-2:488 109 VAL HN 2.80 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL MGX 109 VAL HN 2.80 (# 489:10 Unique 1.95, 3.86 A)
&rst
ixpk= 489, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 10-2:490 109 VAL HN 4.50 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1641,1642,1641,1642,1639,
&end
#
# 113 ALA MB 109 VAL HN 5.50 (# 491:10 Unique 2.16, 3.36 A)
&rst
ixpk= 491, nxpk= 10, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1842,1843,1844,
&end
#
# 64 GLY HN 65 LEU HN 2.80 (# 494:10 Unique 2.38, 2.64 A)
&rst
ixpk= 494, nxpk= 10, iat=1036,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 LEU HA 65 LEU HN 5.50 (# 495:10 Unique 3.54, 4.29 A)
&rst
ixpk= 495, nxpk= 10, iat= 985,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HA 65 LEU HN 3.50 (# 496:10 Unique 2.82, 2.91 A)
&rst
ixpk= 496, nxpk= 10, iat=1045,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 GLY HA- 65 LEU HN 3.50 (# 497:10 Unique 3.07, 3.34 A)
&rst
ixpk= 497, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1038,1039,
&end
#
# 63 GLU HA 65 LEU HN 5.50 (# 498:10 Unique 4.01, 4.14 A)
&rst
ixpk= 498, nxpk= 10, iat=1023,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 GLY HA+ 65 LEU HN 3.50 (# 499:10 Unique 3.07, 3.34 A)
&rst
ixpk= 499, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1038,1039,
&end
#
# 65 LEU HB+ 65 LEU HN 2.80 (# 500:10 Unique 2.52, 3.18 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1047,1048,
&end
#
# 65 LEU HG 65 LEU HN 2.80 (# 501:10 Unique 1.93, 2.32 A)
&rst
ixpk= 501, nxpk= 10, iat=1050,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:502 65 LEU HN 3.50 (# 502:10 Single Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1047,1048, 990, 987, 988,
&end
#
# 80 ILE QG2 65 LEU HN 5.50 (# 503:10 Unique 5.22, 6.30 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1307,1308,1309,
&end
#
# 0 AMB 10-2:504 65 LEU HN 3.50 (# 504:10 Single Ambig)
&rst
ixpk= 504, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1052,1053,1054,1056,1057,1058,1082,1083,1084,1086,
1087,1088,
&end
#
# 0 AMB 10-2:505 65 LEU HN 2.80 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1052,1053,1054,1056,1057,1058, 992, 993, 994, 996,
997, 998, 992, 993, 994, 996, 997, 998,1011,1012,
1013,1015,1016,1017,
&end
#
# 0 AMB 10-2:506 0 AMB 10-1:506 5.50 (# 506:10 Double Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 187,1023,
igr2= 162,1043,
&end
#
# 0 AMB 10-2:508 101 LEU HN 5.50 (# 508:10 Single Ambig)
&rst
ixpk= 508, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1641,1642,1641,1642,1639,
&end
#
# 97 LEU HG 101 LEU HN 7.00 (# 509:10 Unique 3.74, 4.25 A)
&rst
ixpk= 509, nxpk= 10, iat=1563,1618, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 102 SER HN 101 LEU HN 3.50 (# 510:10 Unique 2.29, 2.62 A)
&rst
ixpk= 510, nxpk= 10, iat=1637,1618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:512 101 LEU HN 2.80 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1620,1609,1558,
&end
#
# 100 SER HB+ 101 LEU HN 4.50 (# 513:10 Unique 1.98, 2.97 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1611,1612,
&end
#
# 98 PHE HA 101 LEU HN 5.50 (# 514:10 Unique 3.62, 4.02 A)
&rst
ixpk= 514, nxpk= 10, iat=1577,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HG 101 LEU HN 2.80 (# 515:10 Unique 1.89, 2.35 A)
&rst
ixpk= 515, nxpk= 10, iat=1625,1618, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 LEU HB+ 101 LEU HN 2.80 (# 516:10 Unique 2.31, 3.09 A)
&rst
ixpk= 516, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1622,1623,
&end
#
# 101 LEU HB- 101 LEU HN 3.50 (# 517:10 Unique 2.31, 3.09 A)
&rst
ixpk= 517, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1622,1623,
&end
#
# 101 LEU MDX 101 LEU HN 3.50 (# 518:10 Unique 1.92, 3.78 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1627,1628,1629,1631,1632,1633,
&end
#
# 0 AMB 10-2:519 79 VAL HN 5.50 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 247,1246,
&end
#
# 66 THR HA 65 LEU HN 7.00 (# 521:10 Unique 4.39, 4.80 A)
&rst
ixpk= 521, nxpk= 10, iat=1064,1043, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 98 PHE HA 101 LEU HN 7.00 (# 525:10 Unique 3.62, 4.02 A)
&rst
ixpk= 525, nxpk= 10, iat=1577,1618, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 109 VAL MGX 101 LEU HN 5.50 (# 527:10 Unique 3.42, 5.96 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 109 VAL HN 110 GLU HN 4.50 (# 528:10 Unique 1.73, 2.78 A)
&rst
ixpk= 528, nxpk= 10, iat=1761,1777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HA 110 GLU HN 4.50 (# 529:10 Unique 2.80, 2.85 A)
&rst
ixpk= 529, nxpk= 10, iat=1779,1777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:530 110 GLU HN 5.50 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1794,1639,1641,1642,1641,1642,
&end
#
# 109 VAL HA 110 GLU HN 2.80 (# 531:10 Unique 2.40, 2.80 A)
&rst
ixpk= 531, nxpk= 10, iat=1763,1777, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:532 110 GLU HN 2.80 (# 532:10 Single Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1784,1785,1781,1782,
&end
#
# 110 GLU HG- 110 GLU HN 3.50 (# 533:10 Unique 1.86, 2.78 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1784,1785,
&end
#
# 113 ALA MB 110 GLU HN 2.80 (# 534:10 Unique 1.89, 2.56 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1842,1843,1844,
&end
#
# 0 AMB 10-2:535 110 GLU HN 3.50 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1767,1768,1769,1771,1772,1773,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,1857,1858,
1859,1861,1862,1863,
&end
#
# 110 GLU HB+ 110 GLU HN 4.50 (# 536:10 Unique 2.36, 3.07 A)
&rst
ixpk= 536, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1781,1782,
&end
#
# 0 AMB 10-2:537 110 GLU HN 7.00 (# 537:10 Single Ambig)
&rst
ixpk= 537, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1852,1853,1799,1800,
&end
#
# 109 VAL MGX 110 GLU HN 5.50 (# 538:10 Unique 3.83, 5.12 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 11 TYR HA 11 TYR HN 5.50 (# 543:10 Unique 2.23, 2.80 A)
&rst
ixpk= 543, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 TYR HD 11 TYR HN 4.50 (# 544:10 Unique 2.02, 4.22 A)
&rst
ixpk= 544, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 170, 179,
&end
#
# 11 TYR HB+ 11 TYR HN 3.50 (# 546:10 Unique 1.95, 3.12 A)
&rst
ixpk= 546, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 166, 167,
&end
#
# 11 TYR HB- 11 TYR HN 3.50 (# 547:10 Unique 1.95, 3.12 A)
&rst
ixpk= 547, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 166, 167,
&end
#
# 10 LEU HA 11 TYR HN 3.50 (# 548:10 Unique 2.18, 2.47 A)
&rst
ixpk= 548, nxpk= 10, iat= 145, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:550 101 LEU HN 7.00 (# 550:10 Single Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1597,2228,
&end
#
# 146 VAL HN 147 ALA HN 4.50 (# 552:10 Unique 2.17, 2.90 A)
&rst
ixpk= 552, nxpk= 10, iat=2339,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:553 147 ALA HN 3.50 (# 553:10 Single Ambig)
&rst
ixpk= 553, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2365,2384,
&end
#
# 147 ALA MB 147 ALA HN 2.80 (# 554:10 Unique 1.98, 3.07 A)
&rst
ixpk= 554, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2359,2360,2361,
&end
#
# 114 LEU HN 110 GLU HN 4.50 (# 555:10 Unique 2.64, 3.80 A)
&rst
ixpk= 555, nxpk= 10, iat=1848,1777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:556 110 GLU HN 5.50 (# 556:10 Single Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1852,1853,1821,1822,1729,1730,1818,1819,
&end
#
# 125 VAL HN 124 ALA HN 3.50 (# 559:10 Unique 2.49, 2.85 A)
&rst
ixpk= 559, nxpk= 10, iat=2022,2012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:560 124 ALA HN 5.50 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1954,1981,1989,
&end
#
# 0 AMB 10-2:561 124 ALA HN 2.80 (# 561:10 Single Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2000,1997,1998,
&end
#
# 11 TYR HA 11 TYR HN 4.50 (# 562:10 Unique 2.23, 2.80 A)
&rst
ixpk= 562, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 VAL HA 147 ALA HN 4.50 (# 567:10 Unique 2.40, 3.04 A)
&rst
ixpk= 567, nxpk= 10, iat=2341,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:568 147 ALA HN 3.50 (# 568:10 Single Ambig)
&rst
ixpk= 568, nxpk= 10, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 147 ALA HA 147 ALA HN 3.50 (# 569:10 Unique 2.21, 2.74 A)
&rst
ixpk= 569, nxpk= 10, iat=2357,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 VAL HB 147 ALA HN 4.50 (# 570:10 Unique 2.16, 3.75 A)
&rst
ixpk= 570, nxpk= 10, iat=2343,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:572 43 ALA HN 3.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 721, 669,
&end
#
# 41 GLN HN 43 ALA HN 4.50 (# 573:10 Unique 4.86, 5.12 A)
&rst
ixpk= 573, nxpk= 10, iat= 652, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LYS HN 43 ALA HN 5.50 (# 574:10 Unique 2.73, 3.54 A)
&rst
ixpk= 574, nxpk= 10, iat= 736, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 PHE HN 43 ALA HN 2.80 (# 575:10 Unique 1.88, 1.99 A)
&rst
ixpk= 575, nxpk= 10, iat= 701, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 PHE HA 43 ALA HN 5.50 (# 576:10 Unique 4.32, 4.37 A)
&rst
ixpk= 576, nxpk= 10, iat= 703, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ALA HA 43 ALA HN 3.50 (# 577:10 Unique 2.69, 2.79 A)
&rst
ixpk= 577, nxpk= 10, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 LYS HA 43 ALA HN 3.50 (# 578:10 Unique 2.44, 2.60 A)
&rst
ixpk= 578, nxpk= 10, iat= 671, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:579 43 ALA HN 4.50 (# 579:10 Single Ambig)
&rst
ixpk= 579, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 705, 706, 557, 558,
&end
#
# 45 GLU HG- 43 ALA HN 5.50 (# 580:10 Unique 3.09, 4.72 A)
&rst
ixpk= 580, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 728, 729,
&end
#
# 45 GLU HB+ 43 ALA HN 4.50 (# 581:10 Unique 3.61, 4.72 A)
&rst
ixpk= 581, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 725, 726,
&end
#
# 0 AMB 10-2:582 43 ALA HN 3.50 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 740, 741, 673, 674, 673, 674,
&end
#
# 0 AMB 10-2:583 43 ALA HN 4.50 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 725, 726, 746, 747, 746, 747, 676, 677,
&end
#
# 0 AMB 10-2:584 43 ALA HN 2.80 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 695, 696, 697, 743, 744, 743, 744,
&end
#
# 0 AMB 10-2:585 43 ALA HN 7.00 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 659, 660, 659, 660,
&end
#
# 41 GLN HA 43 ALA HN 4.50 (# 587:10 Unique 3.46, 3.80 A)
&rst
ixpk= 587, nxpk= 10, iat= 654, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HD 69 TYR HN 3.50 (# 588:10 Unique 1.95, 3.65 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1116,1125,
&end
#
# 69 TYR HA 69 TYR HN 4.50 (# 589:10 Unique 2.83, 2.92 A)
&rst
ixpk= 589, nxpk= 10, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TYR HB- 69 TYR HN 4.50 (# 590:10 Unique 2.35, 3.21 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1112,1113,
&end
#
# 69 TYR HB+ 69 TYR HN 5.50 (# 591:10 Unique 2.35, 3.21 A)
&rst
ixpk= 591, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112,1113,
&end
#
# 0 AMB 10-2:592 69 TYR HN 4.50 (# 592:10 Single Ambig)
&rst
ixpk= 592, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1480,1481,1482,1289,1516,1517,
&end
#
# 0 AMB 10-2:593 69 TYR HN 4.50 (# 593:10 Single Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 977, 978, 979,1133,1134,
&end
#
# 0 AMB 10-2:594 69 TYR HN 3.50 (# 594:10 Single Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 94 LEU MDX 69 TYR HN 4.50 (# 595:10 Unique 3.10, 5.05 A)
&rst
ixpk= 595, nxpk= 10, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 68 VAL HN 69 TYR HN 4.50 (# 596:10 Unique 4.13, 4.42 A)
&rst
ixpk= 596, nxpk= 10, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HA 69 TYR HN 3.50 (# 597:10 Unique 2.64, 3.26 A)
&rst
ixpk= 597, nxpk= 10, iat= 956,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 LEU HN 124 ALA HN 3.50 (# 599:10 Unique 2.11, 2.37 A)
&rst
ixpk= 599, nxpk= 10, iat=1993,2012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 LEU HA 124 ALA HN 4.50 (# 600:10 Unique 3.53, 3.60 A)
&rst
ixpk= 600, nxpk= 10, iat=1995,2012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 LEU HA 124 ALA HN 4.50 (# 601:10 Unique 2.85, 3.11 A)
&rst
ixpk= 601, nxpk= 10, iat=1956,2012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:602 124 ALA HN 2.80 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2014,1949,1950,
&end
#
# 0 AMB 10-2:603 124 ALA HN 4.50 (# 603:10 Single Ambig)
&rst
ixpk= 603, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1977,1978,1977,1978,2024,
&end
#
# 123 LEU HB- 124 ALA HN 4.50 (# 604:10 Unique 2.51, 3.54 A)
&rst
ixpk= 604, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1997,1998,
&end
#
# 124 ALA MB 124 ALA HN 2.80 (# 605:10 Unique 2.07, 2.81 A)
&rst
ixpk= 605, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2016,2017,2018,
&end
#
# 0 AMB 10-2:606 124 ALA HN 4.50 (# 606:10 Single Ambig)
&rst
ixpk= 606, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,
&end
#
# 0 AMB 10-2:607 124 ALA HN 4.50 (# 607:10 Single Ambig)
&rst
ixpk= 607, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=2272,2273,2274,2276,2277,2278,2028,2029,2030,2032,
2033,2034,1627,1628,1629,1631,1632,1633,2078,2079,
2080,
&end
#
# 0 AMB 10-2:609 11 TYR HN 4.50 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 147, 148, 147, 148,
&end
#
# 0 AMB 10-2:610 43 ALA HN 5.50 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 705, 706, 749, 750, 749, 750,
&end
#
# 68 VAL HA 69 TYR HN 2.80 (# 611:10 Unique 2.18, 2.27 A)
&rst
ixpk= 611, nxpk= 10, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 GLU HA 69 TYR HN 5.50 (# 612:10 Unique 2.57, 4.94 A)
&rst
ixpk= 612, nxpk= 10, iat= 941,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 VAL HB 69 TYR HN 4.50 (# 613:10 Unique 2.28, 3.91 A)
&rst
ixpk= 613, nxpk= 10, iat=1096,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HN 69 TYR HN 5.50 (# 614:10 Unique 3.11, 4.07 A)
&rst
ixpk= 614, nxpk= 10, iat= 939,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASN HN 94 LEU HN 3.50 (# 618:10 Unique 2.72, 3.06 A)
&rst
ixpk= 618, nxpk= 10, iat=1531,1512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 VAL HN 94 LEU HN 3.50 (# 619:10 Unique 2.15, 2.67 A)
&rst
ixpk= 619, nxpk= 10, iat=1496,1512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:620 94 LEU HN 4.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1471,1488,
&end
#
# 93 VAL HB 94 LEU HN 3.50 (# 621:10 Unique 2.18, 2.85 A)
&rst
ixpk= 621, nxpk= 10, iat=1500,1512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:622 94 LEU HN 4.50 (# 622:10 Single Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1490,1491,1492,2152,2153,2152,2153,1133,1134,
&end
#
# 94 LEU HB- 94 LEU HN 3.50 (# 623:10 Unique 2.15, 2.48 A)
&rst
ixpk= 623, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1516,1517,
&end
#
# 0 AMB 10-2:624 94 LEU HN 2.80 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1502,1503,1504,1506,1507,1508,1291,1292,1293,1295,
1296,1297,
&end
#
# 0 AMB 10-2:625 94 LEU HN 3.50 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1502,1503,1504,1506,1507,1508,1521,1522,1523,1525,
1526,1527,
&end
#
# 94 LEU MDX 94 LEU HN 4.50 (# 626:10 Unique 2.64, 5.04 A)
&rst
ixpk= 626, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 94 LEU HA 94 LEU HN 3.50 (# 627:10 Unique 2.67, 2.72 A)
&rst
ixpk= 627, nxpk= 10, iat=1514,1512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 VAL HA 94 LEU HN 4.50 (# 628:10 Unique 3.53, 3.61 A)
&rst
ixpk= 628, nxpk= 10, iat=1498,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 LEU HB+ 94 LEU HN 2.80 (# 629:10 Unique 2.15, 2.48 A)
&rst
ixpk= 629, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1516,1517,
&end
#
# 96 CYS HN 94 LEU HN 5.50 (# 630:10 Unique 3.69, 4.06 A)
&rst
ixpk= 630, nxpk= 10, iat=1545,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 LEU HB- 124 ALA HN 4.50 (# 631:10 Unique 2.51, 3.54 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1997,1998,
&end
#
# 0 AMB 10-2:632 0 AMB 10-1:632 4.50 (# 632:10 Double Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr1=1521,1522,1523,1525,1526,1527,2272,2273,2274,2276,
2277,2278,2272,2273,2274,2276,2277,2278,2028,2029,
2030,2032,2033,2034,1627,1628,1629,1631,1632,1633,
2078,2079,2080,2155,2156,2157,1139,1140,
igr2=1545,2012,
&end
#
# 0 AMB 10-2:633 96 CYS HN 5.50 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1565,1566,1567,1569,1570,1571,1502,1503,1504,1506,
1507,1508,1521,1522,1523,1525,1526,1527,
&end
#
# 25 ARG HA 24 ASP HN 5.50 (# 637:10 Unique 4.29, 4.63 A)
&rst
ixpk= 637, nxpk= 10, iat= 380, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HB+ 24 ASP HN 5.50 (# 638:10 Unique 2.24, 3.48 A)
&rst
ixpk= 638, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 325, 326,
&end
#
# 19 LEU HB- 24 ASP HN 4.50 (# 639:10 Unique 2.39, 3.78 A)
&rst
ixpk= 639, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 20 ASP HN 24 ASP HN 3.50 (# 641:10 Unique 1.91, 2.37 A)
&rst
ixpk= 641, nxpk= 10, iat= 321, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 GLY HN 24 ASP HN 2.80 (# 642:10 Unique 1.84, 2.18 A)
&rst
ixpk= 642, nxpk= 10, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:643 24 ASP HN 4.50 (# 643:10 Single Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 304, 323,
&end
#
# 24 ASP HA 24 ASP HN 3.50 (# 644:10 Unique 2.85, 2.90 A)
&rst
ixpk= 644, nxpk= 10, iat= 368, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASP HB+ 24 ASP HN 2.80 (# 645:10 Unique 2.06, 2.81 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 370, 371,
&end
#
# 0 AMB 10-2:646 24 ASP HN 2.80 (# 646:10 Single Ambig)
&rst
ixpk= 646, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 370, 371, 325, 326,
&end
#
# 23 GLY HA- 24 ASP HN 3.50 (# 647:10 Unique 2.59, 3.23 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 361, 362,
&end
#
# 19 LEU HB+ 24 ASP HN 4.50 (# 648:10 Unique 2.39, 3.78 A)
&rst
ixpk= 648, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 0 AMB 10-2:649 24 ASP HN 4.50 (# 649:10 Single Ambig)
&rst
ixpk= 649, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 0 AMB 10-2:651 94 LEU HN 4.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1452,2199,2200,
&end
#
# 0 AMB 10-2:657 0 AMB 10-1:657 4.50 (# 657:10 Double Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 504, 509, 172, 177, 799, 807,
igr2= 235, 378,
&end
#
# 0 AMB 10-2:659 41 GLN HN 4.50 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 588, 701,
&end
#
# 0 AMB 10-2:660 24 ASP HN 5.50 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 409, 309, 382, 383,1796,1797,
&end
#
# 0 AMB 10-2:661 96 CYS HN 5.50 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1599,1600,2225,2226,
&end
#
# 95 ASN HN 96 CYS HN 3.50 (# 662:10 Unique 2.54, 2.85 A)
&rst
ixpk= 662, nxpk= 10, iat=1531,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:663 96 CYS HN 3.50 (# 663:10 Single Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1556,1575,
&end
#
# 95 ASN HA 96 CYS HN 4.50 (# 666:10 Unique 2.83, 3.37 A)
&rst
ixpk= 666, nxpk= 10, iat=1533,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:667 96 CYS HN 5.50 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1488,2219,2220,2228,
&end
#
# 96 CYS HA 96 CYS HN 3.50 (# 668:10 Unique 2.68, 2.83 A)
&rst
ixpk= 668, nxpk= 10, iat=1547,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 CYS HB+ 96 CYS HN 2.80 (# 669:10 Unique 2.09, 2.73 A)
&rst
ixpk= 669, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1549,1550,
&end
#
# 96 CYS HB- 96 CYS HN 2.80 (# 670:10 Unique 2.09, 2.73 A)
&rst
ixpk= 670, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1549,1550,
&end
#
# 0 AMB 10-2:671 96 CYS HN 3.50 (# 671:10 Single Ambig)
&rst
ixpk= 671, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1535,1536,1535,1536,
&end
#
# 0 AMB 10-2:672 96 CYS HN 5.50 (# 672:10 Single Ambig)
&rst
ixpk= 672, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1560,1561,1142,1143,1516,1517,2222,2223,
&end
#
# 93 VAL HA 96 CYS HN 3.50 (# 673:10 Unique 3.23, 3.41 A)
&rst
ixpk= 673, nxpk= 10, iat=1498,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:674 96 CYS HN 4.50 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1490,1491,1492,1133,1134,2152,2153,
&end
#
# 14 LYS HN 15 ALA HN 2.80 (# 678:10 Unique 1.90, 2.24 A)
&rst
ixpk= 678, nxpk= 10, iat= 213, 235, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:679 0 AMB 10-1:679 4.50 (# 679:10 Double Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 391, 245, 321,
igr2= 378, 235,
&end
#
# 15 ALA HA 15 ALA HN 4.50 (# 680:10 Unique 2.77, 2.85 A)
&rst
ixpk= 680, nxpk= 10, iat= 237, 235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:682 0 AMB 10-1:682 2.80 (# 682:10 Double Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 380,1322,1323,
igr2= 378, 235,
&end
#
# 0 AMB 10-2:683 0 AMB 10-1:683 4.50 (# 683:10 Double Ambig)
&rst
ixpk= 683, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 388, 389, 388, 389, 498, 499,
igr2= 378, 235,
&end
#
# 0 AMB 10-2:684 0 AMB 10-1:684 2.80 (# 684:10 Double Ambig)
&rst
ixpk= 684, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 217, 218, 382, 383,
igr2= 235, 378,
&end
#
# 0 AMB 10-2:685 0 AMB 10-1:685 2.80 (# 685:10 Double Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 382, 383, 220, 221,1311,1312, 201,
igr2= 378, 235,
&end
#
# 25 ARG HG- 25 ARG HN 4.50 (# 686:10 Unique 1.95, 2.36 A)
&rst
ixpk= 686, nxpk= 10, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 385, 386,
&end
#
# 0 AMB 10-2:687 15 ALA HN 2.80 (# 687:10 Single Ambig)
&rst
ixpk= 687, nxpk= 10, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 239, 240, 241,1314,1315,1316, 203, 204, 205, 207,
208, 209,
&end
#
# 0 AMB 10-2:688 25 ARG HN 3.50 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 80 ILE HN 15 ALA HN 3.50 (# 689:10 Unique 2.89, 3.34 A)
&rst
ixpk= 689, nxpk= 10, iat=1301, 235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ILE HB 15 ALA HN 3.50 (# 691:10 Unique 1.90, 2.47 A)
&rst
ixpk= 691, nxpk= 10, iat=1305, 235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:693 41 GLN HN 3.50 (# 693:10 Single Ambig)
&rst
ixpk= 693, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 669, 599,
&end
#
# 40 GLU HN 41 GLN HN 3.50 (# 694:10 Unique 2.26, 2.54 A)
&rst
ixpk= 694, nxpk= 10, iat= 637, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ALA HN 41 GLN HN 5.50 (# 695:10 Unique 4.86, 5.12 A)
&rst
ixpk= 695, nxpk= 10, iat= 691, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:696 41 GLN HN 5.50 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 664, 665, 561, 570,
&end
#
# 40 GLU HA 41 GLN HN 4.50 (# 697:10 Unique 3.56, 3.61 A)
&rst
ixpk= 697, nxpk= 10, iat= 639, 652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:698 41 GLN HN 4.50 (# 698:10 Single Ambig)
&rst
ixpk= 698, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 592, 593, 617, 671,
&end
#
# 40 GLU HB- 41 GLN HN 2.80 (# 699:10 Unique 2.17, 3.07 A)
&rst
ixpk= 699, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 641, 642,
&end
#
# 41 GLN HB+ 41 GLN HN 2.80 (# 700:10 Unique 2.06, 2.80 A)
&rst
ixpk= 700, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 656, 657,
&end
#
# 0 AMB 10-2:701 41 GLN HN 5.50 (# 701:10 Single Ambig)
&rst
ixpk= 701, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 676, 677, 695, 696, 697,
&end
#
# 38 VAL MGY 41 GLN HN 4.50 (# 702:10 Unique 4.71, 5.85 A)
&rst
ixpk= 702, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 10-2:703 41 GLN HN 3.50 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 659, 660, 659, 660,
&end
#
# 0 AMB 10-2:705 41 GLN HN 2.80 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 654, 601,
&end
#
# 35 TYR HB+ 41 GLN HN 3.50 (# 706:10 Unique 2.47, 4.41 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 557, 558,
&end
#
# 41 GLN HB- 41 GLN HN 3.50 (# 707:10 Unique 2.06, 2.80 A)
&rst
ixpk= 707, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 656, 657,
&end
#
# 0 AMB 10-2:708 96 CYS HN 5.50 (# 708:10 Single Ambig)
&rst
ixpk= 708, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1579,1580,2222,2223,
&end
#
# 0 AMB 10-2:709 96 CYS HN 5.50 (# 709:10 Single Ambig)
&rst
ixpk= 709, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1514,1558,
&end
#
# 24 ASP HA 25 ARG HN 2.80 (# 711:10 Unique 2.25, 2.30 A)
&rst
ixpk= 711, nxpk= 10, iat= 368, 378, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:712 0 AMB 10-1:712 3.50 (# 712:10 Double Ambig)
&rst
ixpk= 712, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 370, 371, 531, 532, 531, 532,
igr2= 378, 235,
&end
#
# 24 ASP HB- 25 ARG HN 4.50 (# 713:10 Unique 3.85, 4.39 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 370, 371,
&end
#
# 26 LEU HN 25 ARG HN 4.50 (# 714:10 Unique 3.86, 4.15 A)
&rst
ixpk= 714, nxpk= 10, iat= 402, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:715 41 GLN HN 5.50 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 592, 593, 617, 671,
&end
#
# 84 TYR HB+ 85 GLU HN 5.50 (# 716:10 Unique 1.94, 4.09 A)
&rst
ixpk= 716, nxpk= 10, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1353,1354,
&end
#
# 94 LEU HN 96 CYS HN 5.50 (# 717:10 Unique 3.69, 4.06 A)
&rst
ixpk= 717, nxpk= 10, iat=1512,1545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:720 85 GLU HN 4.50 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1353,1354,1353,1354,
&end
#
# 0 AMB 10-2:722 0 AMB 10-1:722 3.50 (# 722:10 Double Ambig)
&rst
ixpk= 722, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1374,1375,1374,1375,1516,1517,1437,1438,
igr2=1370,1496,
&end
#
# 19 LEU HN 76 TYR HN 4.50 (# 723:10 Unique 3.51, 4.16 A)
&rst
ixpk= 723, nxpk= 10, iat= 302,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HA 76 TYR HN 4.50 (# 724:10 Unique 2.44, 3.39 A)
&rst
ixpk= 724, nxpk= 10, iat= 323,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:725 76 TYR HN 3.50 (# 725:10 Single Ambig)
&rst
ixpk= 725, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1227,1228,1227,1228,
&end
#
# 0 AMB 10-2:726 76 TYR HN 5.50 (# 726:10 Single Ambig)
&rst
ixpk= 726, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1799,1800, 406, 407,1133,1134,1852,1853, 268, 269,
&end
#
# 0 AMB 10-2:727 76 TYR HN 4.50 (# 727:10 Single Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1208,1209, 411, 412, 413, 415, 416, 417, 411, 412,
413, 415, 416, 417,
&end
#
# 18 ILE QG2 76 TYR HN 4.50 (# 728:10 Unique 3.41, 5.12 A)
&rst
ixpk= 728, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 289, 290, 291,
&end
#
# 76 TYR HD 76 TYR HN 3.50 (# 729:10 Unique 1.85, 3.70 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1231,1240,
&end
#
# 75 LEU HA 76 TYR HN 2.80 (# 730:10 Unique 2.18, 2.21 A)
&rst
ixpk= 730, nxpk= 10, iat=1206,1223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HB+ 76 TYR HN 5.50 (# 731:10 Unique 3.21, 4.28 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1208,1209,
&end
#
# 0 AMB 10-2:732 76 TYR HN 2.80 (# 732:10 Single Ambig)
&rst
ixpk= 732, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
&end
#
# 76 TYR HA 76 TYR HN 4.50 (# 733:10 Unique 2.87, 2.93 A)
&rst
ixpk= 733, nxpk= 10, iat=1225,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ASN HN 85 GLU HN 4.50 (# 734:10 Unique 1.87, 2.31 A)
&rst
ixpk= 734, nxpk= 10, iat=1385,1370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 GLU HA 85 GLU HN 4.50 (# 735:10 Unique 2.17, 2.63 A)
&rst
ixpk= 735, nxpk= 10, iat=1372,1370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 PHE HN 18 ILE HN 4.50 (# 736:10 Unique 2.64, 3.15 A)
&rst
ixpk= 736, nxpk= 10, iat= 421, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HA 18 ILE HN 4.50 (# 737:10 Unique 2.83, 2.92 A)
&rst
ixpk= 737, nxpk= 10, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:738 18 ILE HN 5.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 423, 404,
&end
#
# 27 PHE HB- 18 ILE HN 4.50 (# 739:10 Unique 1.90, 3.52 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 0 AMB 10-2:740 18 ILE HN 4.50 (# 740:10 Single Ambig)
&rst
ixpk= 740, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 268, 269, 382, 383,
&end
#
# 0 AMB 10-2:741 18 ILE HN 3.50 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 251, 252, 253, 445, 446, 447,
&end
#
# 17 LEU HA 18 ILE HN 2.80 (# 742:10 Unique 2.18, 2.27 A)
&rst
ixpk= 742, nxpk= 10, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 TYR HE 16 ILE HN 4.50 (# 743:10 Unique 3.76, 5.53 A)
&rst
ixpk= 743, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 504, 509,
&end
#
# 17 LEU HN 16 ILE HN 5.50 (# 744:10 Unique 4.25, 4.43 A)
&rst
ixpk= 744, nxpk= 10, iat= 264, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ALA HN 16 ILE HN 4.50 (# 745:10 Unique 3.96, 4.28 A)
&rst
ixpk= 745, nxpk= 10, iat= 235, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 ALA HA 16 ILE HN 2.80 (# 746:10 Unique 2.19, 2.38 A)
&rst
ixpk= 746, nxpk= 10, iat= 237, 245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 ILE HA 16 ILE HN 4.50 (# 747:10 Unique 2.91, 2.93 A)
&rst
ixpk= 747, nxpk= 10, iat= 247, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:748 16 ILE HN 4.50 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 443,1287,
&end
#
# 30 TYR HA 16 ILE HN 4.50 (# 749:10 Unique 2.43, 3.36 A)
&rst
ixpk= 749, nxpk= 10, iat= 475, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 ILE HG1- 16 ILE HN 4.50 (# 750:10 Unique 2.90, 3.90 A)
&rst
ixpk= 750, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 255, 256,
&end
#
# 0 AMB 10-2:751 16 ILE HN 3.50 (# 751:10 Single Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 461, 462, 249,
&end
#
# 0 AMB 10-2:752 16 ILE HN 4.50 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 455, 456,1311,1312,
&end
#
# 0 AMB 10-2:753 16 ILE HN 3.50 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 255, 256, 455, 456,
&end
#
# 15 ALA MB 16 ILE HN 2.80 (# 754:10 Unique 2.28, 3.56 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 239, 240, 241,
&end
#
# 17 LEU MDY 16 ILE HN 3.50 (# 755:10 Unique 2.99, 5.27 A)
&rst
ixpk= 755, nxpk= 10, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 273, 274, 275, 277, 278, 279,
&end
#
# 0 AMB 10-2:756 118 MET HN 5.50 (# 756:10 Single Ambig)
&rst
ixpk= 756, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1954,1981,1989,1983,1987,
&end
#
# 121 LEU MDX 118 MET HN 4.50 (# 757:10 Unique 4.76, 7.09 A)
&rst
ixpk= 757, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 10-2:758 118 MET HN 5.50 (# 758:10 Single Ambig)
&rst
ixpk= 758, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1867,1848,
&end
#
# 0 AMB 10-2:759 0 AMB 10-1:759 5.50 (# 759:10 Double Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1338,1469,
igr2=1370,1496,
&end
#
# 0 AMB 10-2:760 18 ILE HN 4.50 (# 760:10 Single Ambig)
&rst
ixpk= 760, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 264, 402,
&end
#
# 28 ALA HA 18 ILE HN 4.50 (# 761:10 Unique 2.84, 3.39 A)
&rst
ixpk= 761, nxpk= 10, iat= 443, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 PHE HB+ 18 ILE HN 4.50 (# 762:10 Unique 1.90, 3.52 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 0 AMB 10-2:763 18 ILE HN 2.80 (# 763:10 Single Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 287, 293, 294,
&end
#
# 0 AMB 10-2:764 18 ILE HN 3.50 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 268, 269, 406, 407,
&end
#
# 0 AMB 10-2:765 18 ILE HN 2.80 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 293, 294, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
&end
#
# 18 ILE QG2 18 ILE HN 5.50 (# 766:10 Unique 4.25, 4.62 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 119 GLU HN 118 MET HN 4.50 (# 770:10 Unique 2.10, 2.61 A)
&rst
ixpk= 770, nxpk= 10, iat=1932,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 GLY HN 118 MET HN 4.50 (# 771:10 Unique 3.58, 3.81 A)
&rst
ixpk= 771, nxpk= 10, iat=1947,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 ASN HA 118 MET HN 3.50 (# 772:10 Unique 2.45, 2.76 A)
&rst
ixpk= 772, nxpk= 10, iat=1903,1915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 MET HA 118 MET HN 2.80 (# 774:10 Unique 2.66, 2.80 A)
&rst
ixpk= 774, nxpk= 10, iat=1917,1915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 LEU HA 118 MET HN 5.50 (# 775:10 Unique 3.65, 4.21 A)
&rst
ixpk= 775, nxpk= 10, iat=1869,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:776 118 MET HN 4.50 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1850,1934,
&end
#
# 118 MET HG+ 118 MET HN 2.80 (# 777:10 Unique 2.11, 3.08 A)
&rst
ixpk= 777, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1922,1923,
&end
#
# 118 MET HG- 118 MET HN 3.50 (# 778:10 Unique 2.11, 3.08 A)
&rst
ixpk= 778, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1922,1923,
&end
#
# 0 AMB 10-2:779 118 MET HN 4.50 (# 779:10 Single Ambig)
&rst
ixpk= 779, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1939,1940,1939,1940,1905,1906,
&end
#
# 118 MET HB+ 118 MET HN 2.80 (# 780:10 Unique 2.10, 2.86 A)
&rst
ixpk= 780, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1919,1920,
&end
#
# 118 MET HB- 118 MET HN 2.80 (# 781:10 Unique 2.10, 2.86 A)
&rst
ixpk= 781, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1919,1920,
&end
#
# 0 AMB 10-2:782 118 MET HN 5.50 (# 782:10 Single Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,1857,1858,1859,1861,1862,1863,1961,
&end
#
# 0 AMB 10-2:783 118 MET HN 5.50 (# 783:10 Single Ambig)
&rst
ixpk= 783, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1871,1872,1686,1687,1842,1843,1844,
&end
#
# 0 AMB 10-2:784 118 MET HN 5.50 (# 784:10 Single Ambig)
&rst
ixpk= 784, nxpk= 10, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1852,1853, 406, 407, 406, 407,
&end
#
# 0 AMB 10-2:785 93 VAL HN 3.50 (# 785:10 Single Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1452,2199,2200,
&end
#
# 93 VAL HA 93 VAL HN 3.50 (# 786:10 Unique 2.70, 2.80 A)
&rst
ixpk= 786, nxpk= 10, iat=1498,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 VAL HB 93 VAL HN 2.80 (# 787:10 Unique 1.97, 2.23 A)
&rst
ixpk= 787, nxpk= 10, iat=1500,1496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 LEU HN 93 VAL HN 2.80 (# 789:10 Unique 2.15, 2.67 A)
&rst
ixpk= 789, nxpk= 10, iat=1512,1496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ALA HN 93 VAL HN 2.80 (# 790:10 Unique 1.85, 2.37 A)
&rst
ixpk= 790, nxpk= 10, iat=1486,1496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ALA MB 93 VAL HN 2.80 (# 791:10 Unique 1.94, 3.12 A)
&rst
ixpk= 791, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1490,1491,1492,
&end
#
# 93 VAL MGY 93 VAL HN 2.80 (# 792:10 Unique 1.92, 3.83 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1502,1503,1504,1506,1507,1508,
&end
#
# 98 PHE HN 99 ASP HN 3.50 (# 793:10 Unique 2.68, 2.96 A)
&rst
ixpk= 793, nxpk= 10, iat=1575,1595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 SER HN 99 ASP HN 4.50 (# 794:10 Unique 2.24, 2.64 A)
&rst
ixpk= 794, nxpk= 10, iat=1607,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 PHE HD 99 ASP HN 4.50 (# 795:10 Unique 2.06, 4.07 A)
&rst
ixpk= 795, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1583,1591,
&end
#
# 95 ASN HA 99 ASP HN 4.50 (# 796:10 Unique 3.61, 4.17 A)
&rst
ixpk= 796, nxpk= 10, iat=1533,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ASP HA 99 ASP HN 3.50 (# 797:10 Unique 2.64, 2.81 A)
&rst
ixpk= 797, nxpk= 10, iat=1597,1595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 CYS HA 99 ASP HN 4.50 (# 798:10 Unique 3.28, 3.63 A)
&rst
ixpk= 798, nxpk= 10, iat=1547,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:800 99 ASP HN 5.50 (# 800:10 Single Ambig)
&rst
ixpk= 800, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1641,1642,1641,1642,
&end
#
# 98 PHE HA 99 ASP HN 4.50 (# 801:10 Unique 3.55, 3.61 A)
&rst
ixpk= 801, nxpk= 10, iat=1577,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 PHE HB+ 99 ASP HN 3.50 (# 802:10 Unique 2.09, 3.27 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1579,1580,
&end
#
# 99 ASP HB+ 99 ASP HN 3.50 (# 803:10 Unique 2.01, 2.70 A)
&rst
ixpk= 803, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1599,1600,
&end
#
# 99 ASP HB- 99 ASP HN 3.50 (# 804:10 Unique 2.01, 2.70 A)
&rst
ixpk= 804, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1599,1600,
&end
#
# 98 PHE HB- 99 ASP HN 3.50 (# 805:10 Unique 2.09, 3.27 A)
&rst
ixpk= 805, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1579,1580,
&end
#
# 0 AMB 10-2:806 99 ASP HN 4.50 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2222,2223,1560,1561,1142,1143,
&end
#
# 0 AMB 10-2:807 99 ASP HN 5.50 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1565,1566,1567,1569,1570,1571,1565,1566,1567,1569,
1570,1571,1521,1522,1523,1525,1526,1527,1139,1140,
1136,1137,1136,1137,2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 10-2:808 99 ASP HN 4.50 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1=1627,1628,1629,1631,1632,1633,1521,1522,1523,1525,
1526,1527,1767,1768,1769,1771,1772,1773,2078,2079,
2080,1139,1140,2272,2273,2274,2276,2277,2278,2272,
2273,2274,2276,2277,2278,
&end
#
# 112 ARG HN 114 LEU HN 4.50 (# 809:10 Unique 3.66, 4.21 A)
&rst
ixpk= 809, nxpk= 10, iat=1814,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLU HA 114 LEU HN 5.50 (# 810:10 Unique 4.18, 4.51 A)
&rst
ixpk= 810, nxpk= 10, iat=1779,1848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:816 117 ASN HN 5.50 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1954,1981,1989,
&end
#
# 0 AMB 10-2:818 84 TYR HN 5.50 (# 818:10 Single Ambig)
&rst
ixpk= 818, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1342,1343,1331,1332,
&end
#
# 84 TYR HB+ 84 TYR HN 4.50 (# 819:10 Unique 2.15, 3.23 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1353,1354,
&end
#
# 85 GLU HN 84 TYR HN 4.50 (# 820:10 Unique 1.87, 2.63 A)
&rst
ixpk= 820, nxpk= 10, iat=1370,1349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 SER HA 84 TYR HN 4.50 (# 822:10 Unique 2.22, 2.53 A)
&rst
ixpk= 822, nxpk= 10, iat=1340,1349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:823 84 TYR HN 5.50 (# 823:10 Single Ambig)
&rst
ixpk= 823, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1=1444,1445,1446,1403,1404,1403,1404,1374,1375,1374,
1375, 122, 123,
&end
#
# 93 VAL MGX 93 VAL HN 2.80 (# 824:10 Unique 1.92, 3.83 A)
&rst
ixpk= 824, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1502,1503,1504,1506,1507,1508,
&end
#
# 0 AMB 10-2:826 114 LEU HN 5.50 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1901,1747,1915,
&end
#
# 0 AMB 10-2:827 114 LEU HN 4.50 (# 827:10 Single Ambig)
&rst
ixpk= 827, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1910,1911,1886,
&end
#
# 113 ALA HN 114 LEU HN 2.80 (# 828:10 Unique 2.50, 2.83 A)
&rst
ixpk= 828, nxpk= 10, iat=1838,1848, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 ALA HA 114 LEU HN 4.50 (# 829:10 Unique 3.55, 3.62 A)
&rst
ixpk= 829, nxpk= 10, iat=1840,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:830 114 LEU HN 2.80 (# 830:10 Single Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1850,1816,
&end
#
# 111 LYS HA 114 LEU HN 4.50 (# 831:10 Unique 3.34, 3.73 A)
&rst
ixpk= 831, nxpk= 10, iat=1794,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:833 114 LEU HN 5.50 (# 833:10 Single Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1765,1890,1891,1781,1782,1796,1797,
&end
#
# 114 LEU HB+ 114 LEU HN 2.80 (# 834:10 Unique 1.98, 2.49 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1852,1853,
&end
#
# 113 ALA MB 114 LEU HN 2.80 (# 835:10 Unique 2.31, 3.35 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1842,1843,1844,
&end
#
# 114 LEU HB- 114 LEU HN 2.80 (# 836:10 Unique 1.98, 2.49 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1852,1853,
&end
#
# 0 AMB 10-2:837 114 LEU HN 3.50 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,
&end
#
# 0 AMB 10-2:838 114 LEU HN 3.50 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1857,1858,1859,1861,1862,1863,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,
&end
#
# 0 AMB 10-2:842 39 LYS HN 5.50 (# 842:10 Single Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 644, 645, 557, 558,
&end
#
# 42 LYS HE+ 39 LYS HN 5.50 (# 843:10 Unique 3.88, 4.95 A)
&rst
ixpk= 843, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 682, 683,
&end
#
# 0 AMB 10-2:844 39 LYS HN 7.00 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 644, 645, 557, 558,
&end
#
# 0 AMB 10-2:845 117 ASN HN 4.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1867,1848,
&end
#
# 117 ASN HA 117 ASN HN 3.50 (# 846:10 Unique 2.89, 2.91 A)
&rst
ixpk= 846, nxpk= 10, iat=1903,1901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:847 117 ASN HN 3.50 (# 847:10 Single Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1888,1840,1917,
&end
#
# 119 GLU HN 117 ASN HN 5.50 (# 848:10 Unique 5.20, 5.44 A)
&rst
ixpk= 848, nxpk= 10, iat=1932,1901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:849 117 ASN HN 2.80 (# 849:10 Single Ambig)
&rst
ixpk= 849, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1893,1894,1905,1906,
&end
#
# 0 AMB 10-2:850 117 ASN HN 4.50 (# 850:10 Single Ambig)
&rst
ixpk= 850, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 10-2:851 84 TYR HN 4.50 (# 851:10 Single Ambig)
&rst
ixpk= 851, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 152, 153, 154, 156, 157, 158, 55, 56, 57, 59,
60, 61, 55, 56, 57, 59, 60, 61, 78, 79,
80, 71, 72, 73,
&end
#
# 95 ASN HN 93 VAL HN 5.50 (# 852:10 Unique 3.76, 4.54 A)
&rst
ixpk= 852, nxpk= 10, iat=1531,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:854 114 LEU HN 5.50 (# 854:10 Single Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1781,1782, 325, 326,
&end
#
# 37 SER HN 39 LYS HN 5.50 (# 856:10 Unique 5.08, 6.37 A)
&rst
ixpk= 856, nxpk= 10, iat= 588, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:857 39 LYS HN 5.50 (# 857:10 Single Ambig)
&rst
ixpk= 857, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 628, 629, 628, 629,
&end
#
# 38 VAL HN 39 LYS HN 4.50 (# 858:10 Unique 2.94, 3.14 A)
&rst
ixpk= 858, nxpk= 10, iat= 599, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:859 39 LYS HN 4.50 (# 859:10 Single Ambig)
&rst
ixpk= 859, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 676, 677, 622, 623,
&end
#
# 40 GLU HN 39 LYS HN 3.50 (# 860:10 Unique 2.64, 2.84 A)
&rst
ixpk= 860, nxpk= 10, iat= 637, 615, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 SER HB+ 39 LYS HN 4.50 (# 862:10 Unique 3.30, 4.35 A)
&rst
ixpk= 862, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 0 AMB 10-2:863 39 LYS HN 2.80 (# 863:10 Single Ambig)
&rst
ixpk= 863, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 617, 592, 593,
&end
#
# 38 VAL HA 39 LYS HN 4.50 (# 864:10 Unique 3.63, 3.63 A)
&rst
ixpk= 864, nxpk= 10, iat= 601, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 VAL HB 39 LYS HN 2.80 (# 865:10 Unique 1.94, 2.00 A)
&rst
ixpk= 865, nxpk= 10, iat= 603, 615, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 LYS HB+ 39 LYS HN 2.80 (# 866:10 Unique 2.05, 2.53 A)
&rst
ixpk= 866, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 619, 620,
&end
#
# 0 AMB 10-2:867 39 LYS HN 2.80 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 619, 620, 679, 680,
&end
#
# 0 AMB 10-2:868 39 LYS HN 5.50 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 679, 680, 622, 623,
&end
#
# 38 VAL MGX 39 LYS HN 2.80 (# 869:10 Unique 3.04, 4.11 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 605, 606, 607, 609, 610, 611,
&end
#
# 117 ASN HD2- 117 ASN HN 3.50 (# 871:10 Unique 2.26, 3.09 A)
&rst
ixpk= 871, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1910,1911,
&end
#
# 0 AMB 10-2:872 117 ASN HN 2.80 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1886,1910,1911,
&end
#
# 0 AMB 10-2:873 117 ASN HN 4.50 (# 873:10 Single Ambig)
&rst
ixpk= 873, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1869,1684,
&end
#
# 0 AMB 10-2:874 117 ASN HN 4.50 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1689,1874,1919,1920,1871,1872,1625,
&end
#
# 0 AMB 10-2:875 117 ASN HN 5.50 (# 875:10 Single Ambig)
&rst
ixpk= 875, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1842,1843,1844,1871,1872,1821,1822,
&end
#
# 114 LEU HA 117 ASN HN 3.50 (# 876:10 Unique 2.89, 3.19 A)
&rst
ixpk= 876, nxpk= 10, iat=1850,1901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 ASN HB+ 117 ASN HN 2.80 (# 877:10 Unique 2.40, 3.27 A)
&rst
ixpk= 877, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1905,1906,
&end
#
# 118 MET HG- 117 ASN HN 4.50 (# 878:10 Unique 3.52, 4.60 A)
&rst
ixpk= 878, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1922,1923,
&end
#
# 116 GLU HG+ 117 ASN HN 5.50 (# 879:10 Unique 1.95, 4.30 A)
&rst
ixpk= 879, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1893,1894,
&end
#
# 116 GLU HB- 117 ASN HN 4.50 (# 880:10 Unique 2.57, 3.45 A)
&rst
ixpk= 880, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1890,1891,
&end
#
# 0 AMB 10-2:881 117 ASN HN 3.50 (# 881:10 Single Ambig)
&rst
ixpk= 881, nxpk= 10, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1857,1858,1859,1861,1862,1863,1627,1628,
1629,1631,1632,1633,
&end
#
# 44 PHE HA 45 GLU HN 4.50 (# 884:10 Unique 3.49, 3.58 A)
&rst
ixpk= 884, nxpk= 10, iat= 703, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ALA HA 45 GLU HN 5.50 (# 885:10 Unique 3.59, 4.33 A)
&rst
ixpk= 885, nxpk= 10, iat= 693, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HN 45 GLU HN 3.50 (# 886:10 Unique 2.41, 2.54 A)
&rst
ixpk= 886, nxpk= 10, iat= 736, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 PHE HD 45 GLU HN 5.50 (# 887:10 Unique 3.33, 4.61 A)
&rst
ixpk= 887, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 717,
&end
#
# 0 AMB 10-2:888 45 GLU HN 5.50 (# 888:10 Single Ambig)
&rst
ixpk= 888, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 767, 768, 711, 715,
&end
#
# 0 AMB 10-2:889 45 GLU HN 4.50 (# 889:10 Single Ambig)
&rst
ixpk= 889, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 671, 738,
&end
#
# 45 GLU HA 45 GLU HN 3.50 (# 890:10 Unique 2.75, 2.81 A)
&rst
ixpk= 890, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 PHE HB+ 45 GLU HN 3.50 (# 891:10 Unique 2.27, 3.29 A)
&rst
ixpk= 891, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 705, 706,
&end
#
# 0 AMB 10-2:892 45 GLU HN 2.80 (# 892:10 Single Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 728, 729, 705, 706,
&end
#
# 45 GLU HG- 45 GLU HN 3.50 (# 893:10 Unique 1.96, 2.78 A)
&rst
ixpk= 893, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 728, 729,
&end
#
# 45 GLU HB+ 45 GLU HN 3.50 (# 894:10 Unique 2.32, 3.04 A)
&rst
ixpk= 894, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 725, 726,
&end
#
# 45 GLU HB- 45 GLU HN 2.80 (# 895:10 Unique 2.32, 3.04 A)
&rst
ixpk= 895, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 725, 726,
&end
#
# 0 AMB 10-2:896 45 GLU HN 3.50 (# 896:10 Single Ambig)
&rst
ixpk= 896, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 273, 274, 275, 277, 278, 279, 273, 274, 275, 277,
278, 279, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
&end
#
# 30 TYR HA 31 TYR HN 5.50 (# 897:10 Unique 2.19, 2.21 A)
&rst
ixpk= 897, nxpk= 10, iat= 475, 494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:899 39 LYS HN 5.50 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 628, 629, 628, 629,
&end
#
# 87 GLU HN 89 MET HN 5.50 (# 900:10 Unique 4.02, 4.86 A)
&rst
ixpk= 900, nxpk= 10, iat=1399,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 MET HN 89 MET HN 5.50 (# 901:10 Unique 3.74, 4.37 A)
&rst
ixpk= 901, nxpk= 10, iat=1469,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:903 89 MET HN 4.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1401,1331,1332,1452,
&end
#
# 0 AMB 10-2:904 89 MET HN 4.50 (# 904:10 Single Ambig)
&rst
ixpk= 904, nxpk= 10, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1389,1390,1389,1390,
&end
#
# 143 VAL MGY 142 VAL HN 5.50 (# 905:10 Unique 3.25, 6.09 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 141 GLN HG+ 142 VAL HN 5.50 (# 906:10 Unique 1.94, 3.88 A)
&rst
ixpk= 906, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2256,2257,
&end
#
# 0 AMB 10-2:907 142 VAL HN 3.50 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2253,2254,2253,2254,
&end
#
# 142 VAL MGX 142 VAL HN 3.50 (# 908:10 Unique 2.16, 4.07 A)
&rst
ixpk= 908, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2272,2273,2274,2276,2277,2278,
&end
#
# 143 VAL HN 142 VAL HN 4.50 (# 909:10 Unique 1.90, 3.06 A)
&rst
ixpk= 909, nxpk= 10, iat=2282,2266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:910 142 VAL HN 4.50 (# 910:10 Single Ambig)
&rst
ixpk= 910, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2251,2228,
&end
#
# 0 AMB 10-2:911 142 VAL HN 4.50 (# 911:10 Single Ambig)
&rst
ixpk= 911, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2268,2325,2326,
&end
#
# 0 AMB 10-2:912 142 VAL HN 3.50 (# 912:10 Single Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2256,2257,2270,
&end
#
# 0 AMB 10-2:913 63 GLU HN 5.50 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1038,1039, 827,
&end
#
# 0 AMB 10-2:914 63 GLU HN 3.50 (# 914:10 Single Ambig)
&rst
ixpk= 914, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,1052,1053,1054,1056,1057,1058,1011,1012,
1013,1015,1016,1017,
&end
#
# 85 GLU HA 86 ASN HN 3.50 (# 915:10 Unique 2.38, 3.09 A)
&rst
ixpk= 915, nxpk= 10, iat=1372,1385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:916 86 ASN HN 3.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1389,1390,1389,1390,
&end
#
# 0 AMB 10-2:918 86 ASN HN 4.50 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1377,1378,1377,1378,
&end
#
# 0 AMB 10-2:919 86 ASN HN 4.50 (# 919:10 Single Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1374,1375,1374,1375,
&end
#
# 41 GLN HA 45 GLU HN 5.50 (# 920:10 Unique 3.64, 4.29 A)
&rst
ixpk= 920, nxpk= 10, iat= 654, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HH 45 GLU HN 4.50 (# 921:10 Unique 3.68, 4.20 A)
&rst
ixpk= 921, nxpk= 10, iat= 486, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 PHE HN 45 GLU HN 3.50 (# 922:10 Unique 2.51, 2.62 A)
&rst
ixpk= 922, nxpk= 10, iat= 701, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:924 45 GLU HN 5.50 (# 924:10 Single Ambig)
&rst
ixpk= 924, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 743, 744, 743, 744, 695, 696, 697,
&end
#
# 88 LEU HN 89 MET HN 2.80 (# 927:10 Unique 1.86, 2.29 A)
&rst
ixpk= 927, nxpk= 10, iat=1414,1433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 LEU HN 89 MET HN 2.80 (# 928:10 Unique 2.62, 2.81 A)
&rst
ixpk= 928, nxpk= 10, iat=1450,1433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 MET HA 89 MET HN 2.80 (# 929:10 Unique 2.64, 2.72 A)
&rst
ixpk= 929, nxpk= 10, iat=1435,1433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 LEU HA 89 MET HN 4.50 (# 930:10 Unique 3.58, 3.61 A)
&rst
ixpk= 930, nxpk= 10, iat=1416,1433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:931 89 MET HN 2.80 (# 931:10 Single Ambig)
&rst
ixpk= 931, nxpk= 10, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1437,1438,1444,1445,1446,
&end
#
# 88 LEU HB- 89 MET HN 2.80 (# 932:10 Unique 2.20, 3.26 A)
&rst
ixpk= 932, nxpk= 10, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1418,1419,
&end
#
# 88 LEU HB+ 89 MET HN 2.80 (# 933:10 Unique 2.20, 3.26 A)
&rst
ixpk= 933, nxpk= 10, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1418,1419,
&end
#
# 0 AMB 10-2:936 142 VAL HN 7.00 (# 936:10 Single Ambig)
&rst
ixpk= 936, nxpk= 10, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2319,2320,2319,2320,
&end
#
# 64 GLY HN 63 GLU HN 3.50 (# 937:10 Unique 2.33, 2.85 A)
&rst
ixpk= 937, nxpk= 10, iat=1036,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LEU HA 63 GLU HN 3.50 (# 938:10 Unique 2.18, 2.32 A)
&rst
ixpk= 938, nxpk= 10, iat=1004,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 GLU HA 63 GLU HN 2.80 (# 939:10 Unique 2.17, 2.25 A)
&rst
ixpk= 939, nxpk= 10, iat=1023,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:940 63 GLU HN 3.50 (# 940:10 Single Ambig)
&rst
ixpk= 940, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1025,1026,1028,1029,
&end
#
# 0 AMB 10-2:941 63 GLU HN 3.50 (# 941:10 Single Ambig)
&rst
ixpk= 941, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1025,1026,1028,1029,
&end
#
# 0 AMB 10-2:942 63 GLU HN 3.50 (# 942:10 Single Ambig)
&rst
ixpk= 942, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1006,1007,1006,1007,
&end
#
# 65 LEU HN 63 GLU HN 5.50 (# 943:10 Unique 2.97, 3.82 A)
&rst
ixpk= 943, nxpk= 10, iat=1043,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ALA MB 146 VAL HN 7.00 (# 944:10 Unique 7.24, 8.41 A)
&rst
ixpk= 944, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2016,2017,2018,
&end
#
# 0 AMB 10-2:945 103 GLN HN 5.50 (# 945:10 Single Ambig)
&rst
ixpk= 945, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1686,1687,1622,1623,1708,1709,1708,1709,
&end
#
# 18 ILE QG2 20 ASP HN 5.50 (# 947:10 Unique 5.36, 6.67 A)
&rst
ixpk= 947, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 19 LEU HB+ 20 ASP HN 4.50 (# 949:10 Unique 2.04, 2.96 A)
&rst
ixpk= 949, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 26 LEU HN 20 ASP HN 4.50 (# 950:10 Unique 3.51, 3.58 A)
&rst
ixpk= 950, nxpk= 10, iat= 402, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:951 0 AMB 10-1:951 4.50 (# 951:10 Double Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 347, 378, 527, 235,
igr2= 321, 494,
&end
#
# 19 LEU HA 20 ASP HN 2.80 (# 952:10 Unique 2.30, 2.53 A)
&rst
ixpk= 952, nxpk= 10, iat= 304, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 ASP HB+ 20 ASP HN 3.50 (# 953:10 Unique 2.02, 2.84 A)
&rst
ixpk= 953, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 325, 326,
&end
#
# 20 ASP HB- 20 ASP HN 3.50 (# 954:10 Unique 2.02, 2.84 A)
&rst
ixpk= 954, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:955 0 AMB 10-1:955 3.50 (# 955:10 Double Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 409, 461, 462,
igr2= 321, 494,
&end
#
# 19 LEU HB- 20 ASP HN 2.80 (# 956:10 Unique 2.04, 2.96 A)
&rst
ixpk= 956, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 306, 307,
&end
#
# 0 AMB 10-2:957 20 ASP HN 2.80 (# 957:10 Single Ambig)
&rst
ixpk= 957, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 411, 412, 413, 415, 416, 417, 411, 412, 413, 415,
416, 417,
&end
#
# 0 AMB 10-2:958 20 ASP HN 3.50 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1213,1214,1215,1217,1218,1219,1213,1214,
1215,1217,1218,1219,
&end
#
# 0 AMB 10-2:959 146 VAL HN 4.50 (# 959:10 Single Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2359,2360,2361,1997,1998,
&end
#
# 0 AMB 10-2:960 146 VAL HN 4.50 (# 960:10 Single Ambig)
&rst
ixpk= 960, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2365,2384,
&end
#
# 127 GLU HG- 146 VAL HN 5.50 (# 961:10 Unique 3.84, 7.31 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2057,2058,
&end
#
# 0 AMB 10-2:966 103 GLN HN 4.50 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1689,1676,1677,1678,1625,2225,2226,
&end
#
# 0 AMB 10-2:968 0 AMB 10-1:968 5.50 (# 968:10 Double Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 302, 213,
igr2= 321, 494,
&end
#
# 0 AMB 10-2:969 0 AMB 10-1:969 2.80 (# 969:10 Double Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 366, 515,
igr2= 321, 494,
&end
#
# 25 ARG HA 20 ASP HN 5.50 (# 970:10 Unique 3.24, 3.98 A)
&rst
ixpk= 970, nxpk= 10, iat= 380, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:971 31 TYR HN 3.50 (# 971:10 Single Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499, 519, 520,
&end
#
# 0 AMB 10-2:972 0 AMB 10-1:972 4.50 (# 972:10 Double Ambig)
&rst
ixpk= 972, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 370, 371, 477, 478,
igr2= 321, 494,
&end
#
# 23 GLY HN 20 ASP HN 4.50 (# 973:10 Unique 3.07, 3.72 A)
&rst
ixpk= 973, nxpk= 10, iat= 359, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 VAL HA 146 VAL HN 4.50 (# 975:10 Unique 3.01, 3.49 A)
&rst
ixpk= 975, nxpk= 10, iat=2284,2339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 ARG HN 146 VAL HN 3.50 (# 976:10 Unique 2.02, 2.69 A)
&rst
ixpk= 976, nxpk= 10, iat=2315,2339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 ALA HN 146 VAL HN 3.50 (# 977:10 Unique 2.17, 2.90 A)
&rst
ixpk= 977, nxpk= 10, iat=2355,2339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 HIS HA 146 VAL HN 5.50 (# 978:10 Unique 3.70, 4.10 A)
&rst
ixpk= 978, nxpk= 10, iat=2300,2339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:979 146 VAL HN 5.50 (# 979:10 Single Ambig)
&rst
ixpk= 979, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2357,2251,
&end
#
# 145 ARG HA 146 VAL HN 4.50 (# 980:10 Unique 3.49, 3.58 A)
&rst
ixpk= 980, nxpk= 10, iat=2317,2339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 146 VAL HA 146 VAL HN 3.50 (# 981:10 Unique 2.84, 2.91 A)
&rst
ixpk= 981, nxpk= 10, iat=2341,2339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:982 146 VAL HN 4.50 (# 982:10 Single Ambig)
&rst
ixpk= 982, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2325,2326,2302,2303,2302,2303,2394,2395,2394,2395,
&end
#
# 0 AMB 10-2:984 146 VAL HN 3.50 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2319,2320,2319,2320,
&end
#
# 0 AMB 10-2:985 146 VAL HN 2.80 (# 985:10 Single Ambig)
&rst
ixpk= 985, nxpk= 10, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,
&end
#
# 143 VAL MGX 103 GLN HN 4.50 (# 987:10 Unique 3.27, 4.92 A)
&rst
ixpk= 987, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 109 VAL MGX 103 GLN HN 5.50 (# 988:10 Unique 4.34, 6.66 A)
&rst
ixpk= 988, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 10-2:989 103 GLN HN 2.80 (# 989:10 Single Ambig)
&rst
ixpk= 989, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1665,1637,
&end
#
# 103 GLN HA 103 GLN HN 3.50 (# 990:10 Unique 2.84, 2.90 A)
&rst
ixpk= 990, nxpk= 10, iat=1650,1648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:991 103 GLN HN 2.80 (# 991:10 Single Ambig)
&rst
ixpk= 991, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1639,1641,1642,1641,1642,
&end
#
# 104 MET HG- 103 GLN HN 4.50 (# 992:10 Unique 2.54, 4.01 A)
&rst
ixpk= 992, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1672,1673,
&end
#
# 0 AMB 10-2:993 103 GLN HN 2.80 (# 993:10 Single Ambig)
&rst
ixpk= 993, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1655,1656,1672,1673,
&end
#
# 103 GLN HG- 103 GLN HN 3.50 (# 994:10 Unique 2.03, 3.24 A)
&rst
ixpk= 994, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1655,1656,
&end
#
# 0 AMB 10-2:995 103 GLN HN 2.80 (# 995:10 Single Ambig)
&rst
ixpk= 995, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1652,1653,1652,1653,
&end
#
# 0 AMB 10-2:996 103 GLN HN 4.50 (# 996:10 Single Ambig)
&rst
ixpk= 996, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2288,2289,2290,2292,2293,2294,1622,1623,
&end
#
# 0 AMB 10-2:997 103 GLN HN 4.50 (# 997:10 Single Ambig)
&rst
ixpk= 997, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 10-2:998 0 AMB 10-1:998 4.50 (# 998:10 Double Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 481, 490,1231,1240,
igr2= 494, 321,
&end
#
# 0 AMB 10-2:999 0 AMB 10-1:999 4.50 (# 999:10 Double Ambig)
&rst
ixpk= 999, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 504, 509, 799, 807,
igr2= 494, 321,
&end
#
# 30 TYR HA 31 TYR HN 2.80 (# 1001:10 Unique 2.19, 2.21 A)
&rst
ixpk= 1001, nxpk= 10, iat= 475, 494, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1002 31 TYR HN 3.50 (# 1002:10 Single Ambig)
&rst
ixpk= 1002, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499, 477, 478,
&end
#
# 15 ALA MB 31 TYR HN 3.50 (# 1003:10 Unique 1.95, 3.54 A)
&rst
ixpk= 1003, nxpk= 10, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 239, 240, 241,
&end
#
# 69 TYR HD 58 GLU HN 5.50 (# 1006:10 Unique 3.10, 4.98 A)
&rst
ixpk= 1006, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116,1125,
&end
#
# 57 SER HA 58 GLU HN 3.50 (# 1007:10 Unique 2.22, 2.35 A)
&rst
ixpk= 1007, nxpk= 10, iat= 930, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1008 0 AMB 10-1:1008 2.80 (# 1008:10 Double Ambig)
&rst
ixpk= 1008, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 941, 932, 933, 932, 933,1401,
igr2= 939,1414,
&end
#
# 103 GLN HE2+ 103 GLN HN 5.50 (# 1010:10 Unique 2.55, 4.29 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1660,1661,
&end
#
# 0 AMB 10-2:1011 103 GLN HN 5.50 (# 1011:10 Single Ambig)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1727,2228,
&end
#
# 0 AMB 10-2:1012 136 GLU HN 5.50 (# 1012:10 Single Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1,2180, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2184,2185,2184,2185,
&end
#
# 0 AMB 10-2:1013 136 GLU HN 4.50 (# 1013:10 Single Ambig)
&rst
ixpk= 1013, nxpk= 10, iat= -1,2180, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2155,2156,2157,2170,2171,2172,2174,2175,2176,
&end
#
# 0 AMB 10-2:1014 136 GLU HN 5.50 (# 1014:10 Single Ambig)
&rst
ixpk= 1014, nxpk= 10, iat= -1,2180, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2182,2163,
&end
#
# 35 TYR HE 35 TYR HN 5.50 (# 1015:10 Unique 3.73, 5.63 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 568,
&end
#
# 99 ASP HB+ 98 PHE HN 7.00 (# 1016:10 Unique 4.58, 5.47 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1599,1600,
&end
#
# 99 ASP HN 98 PHE HN 4.50 (# 1017:10 Unique 2.68, 2.96 A)
&rst
ixpk= 1017, nxpk= 10, iat=1595,1575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 CYS HN 98 PHE HN 5.50 (# 1018:10 Unique 2.77, 3.77 A)
&rst
ixpk= 1018, nxpk= 10, iat=1545,1575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 PHE HD 98 PHE HN 4.50 (# 1019:10 Unique 4.12, 4.55 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1583,1591,
&end
#
# 95 ASN HA 98 PHE HN 4.50 (# 1020:10 Unique 3.71, 3.99 A)
&rst
ixpk= 1020, nxpk= 10, iat=1533,1575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1021 98 PHE HN 4.50 (# 1021:10 Single Ambig)
&rst
ixpk= 1021, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1514,1558,
&end
#
# 98 PHE HA 98 PHE HN 3.50 (# 1022:10 Unique 2.64, 2.70 A)
&rst
ixpk= 1022, nxpk= 10, iat=1577,1575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 PHE HB+ 98 PHE HN 3.50 (# 1023:10 Unique 2.03, 2.38 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1579,1580,
&end
#
# 98 PHE HB- 98 PHE HN 3.50 (# 1024:10 Unique 2.03, 2.38 A)
&rst
ixpk= 1024, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1579,1580,
&end
#
# 97 LEU HB+ 98 PHE HN 3.50 (# 1025:10 Unique 2.28, 3.38 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 97 LEU HB- 98 PHE HN 3.50 (# 1026:10 Unique 2.28, 3.38 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 0 AMB 10-2:1027 98 PHE HN 3.50 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1565,1566,1567,1569,1570,1571,1565,1566,1567,1569,
1570,1571,
&end
#
# 0 AMB 10-2:1028 98 PHE HN 3.50 (# 1028:10 Single Ambig)
&rst
ixpk= 1028, nxpk= 10, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1627,1628,1629,1631,1632,1633,1521,1522,1523,1525,
1526,1527,2078,2079,2080,1139,1140,
&end
#
# 0 AMB 10-2:1029 0 AMB 10-1:1029 2.80 (# 1029:10 Double Ambig)
&rst
ixpk= 1029, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1433, 954,
igr2=1414, 939,
&end
#
# 88 LEU HB+ 88 LEU HN 3.50 (# 1030:10 Unique 2.33, 3.13 A)
&rst
ixpk= 1030, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1418,1419,
&end
#
# 0 AMB 10-2:1032 88 LEU HN 2.80 (# 1032:10 Single Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1459,1460,1461,1463,1464,1465,1423,1424,1425,1427,
1428,1429,1423,1424,1425,1427,1428,1429,
&end
#
# 0 AMB 10-2:1034 58 GLU HN 3.50 (# 1034:10 Single Ambig)
&rst
ixpk= 1034, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 946, 947, 943, 944,
&end
#
# 0 AMB 10-2:1035 0 AMB 10-1:1035 4.50 (# 1035:10 Double Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 928,1450,
igr2= 939,1414,
&end
#
# 0 AMB 10-2:1036 104 MET HN 5.50 (# 1036:10 Single Ambig)
&rst
ixpk= 1036, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1686,1687,1705,1706,
&end
#
# 0 AMB 10-2:1037 104 MET HN 5.50 (# 1037:10 Single Ambig)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,1627,1628,
1629,1631,1632,1633,
&end
#
# 143 VAL MGX 104 MET HN 4.50 (# 1038:10 Unique 1.94, 4.11 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 54 ARG HG+ 54 ARG HN 4.50 (# 1040:10 Unique 2.31, 4.00 A)
&rst
ixpk= 1040, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 885, 886,
&end
#
# 0 AMB 10-2:1042 54 ARG HN 4.50 (# 1042:10 Single Ambig)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 813,
&end
#
# 0 AMB 10-2:1043 35 TYR HN 4.50 (# 1043:10 Single Ambig)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 578, 579, 578, 579, 581, 582,
&end
#
# 34 THR HN 35 TYR HN 3.50 (# 1044:10 Unique 2.07, 2.76 A)
&rst
ixpk= 1044, nxpk= 10, iat= 539, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HD 35 TYR HN 3.50 (# 1045:10 Unique 1.69, 3.90 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 561, 570,
&end
#
# 0 AMB 10-2:1047 35 TYR HN 3.50 (# 1047:10 Single Ambig)
&rst
ixpk= 1047, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 555, 529,
&end
#
# 0 AMB 10-2:1048 35 TYR HN 5.50 (# 1048:10 Single Ambig)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 584, 592, 593,
&end
#
# 0 AMB 10-2:1049 35 TYR HN 2.80 (# 1049:10 Single Ambig)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 575, 576, 575, 576, 543,
&end
#
# 0 AMB 10-2:1050 35 TYR HN 5.50 (# 1050:10 Single Ambig)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 477, 478, 531, 532, 531, 532,
&end
#
# 35 TYR HB+ 35 TYR HN 3.50 (# 1051:10 Unique 2.68, 3.37 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 557, 558,
&end
#
# 35 TYR HB- 35 TYR HN 4.50 (# 1052:10 Unique 2.68, 3.37 A)
&rst
ixpk= 1052, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 557, 558,
&end
#
# 34 THR MG2 35 TYR HN 4.50 (# 1053:10 Unique 1.89, 4.30 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 545, 546, 547,
&end
#
# 87 GLU HN 88 LEU HN 4.50 (# 1055:10 Unique 1.88, 2.71 A)
&rst
ixpk= 1055, nxpk= 10, iat=1399,1414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LEU HA 88 LEU HN 3.50 (# 1056:10 Unique 2.75, 2.90 A)
&rst
ixpk= 1056, nxpk= 10, iat=1416,1414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1057 88 LEU HN 3.50 (# 1057:10 Single Ambig)
&rst
ixpk= 1057, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1406,1407,1406,1407,
&end
#
# 88 LEU HB- 88 LEU HN 2.80 (# 1058:10 Unique 2.33, 3.13 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1418,1419,
&end
#
# 88 LEU HG 88 LEU HN 2.80 (# 1059:10 Unique 1.94, 2.46 A)
&rst
ixpk= 1059, nxpk= 10, iat=1421,1414, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 MET HG- 104 MET HN 3.50 (# 1060:10 Unique 1.91, 2.66 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1672,1673,
&end
#
# 105 LEU HN 104 MET HN 3.50 (# 1061:10 Unique 1.95, 2.64 A)
&rst
ixpk= 1061, nxpk= 10, iat=1682,1665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1062 104 MET HN 2.80 (# 1062:10 Single Ambig)
&rst
ixpk= 1062, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1648,1701,
&end
#
# 0 AMB 10-2:1063 104 MET HN 2.80 (# 1063:10 Single Ambig)
&rst
ixpk= 1063, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1667,1650,
&end
#
# 103 GLN HG- 104 MET HN 4.50 (# 1064:10 Unique 3.43, 4.44 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1655,1656,
&end
#
# 0 AMB 10-2:1065 104 MET HN 2.80 (# 1065:10 Single Ambig)
&rst
ixpk= 1065, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1652,1653,1652,1653,1669,1670,1669,1670,
&end
#
# 0 AMB 10-2:1066 104 MET HN 4.50 (# 1066:10 Single Ambig)
&rst
ixpk= 1066, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1676,1677,1678,1689,
&end
#
# 54 ARG HB- 54 ARG HN 5.50 (# 1067:10 Unique 2.02, 2.81 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 882, 883,
&end
#
# 0 AMB 10-2:1068 54 ARG HN 4.50 (# 1068:10 Single Ambig)
&rst
ixpk= 1068, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 882, 883, 865, 866,
&end
#
# 0 AMB 10-2:1069 104 MET HN 4.50 (# 1069:10 Single Ambig)
&rst
ixpk= 1069, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1639,1641,1642,
&end
#
# 104 MET HG+ 104 MET HN 3.50 (# 1070:10 Unique 1.91, 2.66 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1672,1673,
&end
#
# 15 ALA MB 32 ASP HN 4.50 (# 1072:10 Unique 2.50, 4.67 A)
&rst
ixpk= 1072, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 239, 240, 241,
&end
#
# 0 AMB 10-2:1073 32 ASP HN 5.50 (# 1073:10 Single Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 220, 221, 220, 221, 223, 224, 223, 224,
&end
#
# 148 LEU HA 148 LEU HN 4.50 (# 1074:10 Unique 2.21, 2.69 A)
&rst
ixpk= 1074, nxpk= 10, iat=2367,2365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1075 148 LEU HN 2.80 (# 1075:10 Single Ambig)
&rst
ixpk= 1075, nxpk= 10, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=2369,2370,2369,2370,2372,
&end
#
# 147 ALA MB 148 LEU HN 4.50 (# 1076:10 Unique 1.94, 3.34 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2359,2360,2361,
&end
#
# 0 AMB 10-2:1077 148 LEU HN 4.50 (# 1077:10 Single Ambig)
&rst
ixpk= 1077, nxpk= 10, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2374,2375,2376,2378,2379,2380,2374,2375,2376,2378,
2379,2380,
&end
#
# 53 HIS HN 54 ARG HN 4.50 (# 1078:10 Unique 2.07, 2.66 A)
&rst
ixpk= 1078, nxpk= 10, iat= 861, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HD 32 ASP HN 4.50 (# 1079:10 Unique 3.83, 5.35 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 481, 490,
&end
#
# 32 ASP HA 32 ASP HN 3.50 (# 1080:10 Unique 2.20, 2.80 A)
&rst
ixpk= 1080, nxpk= 10, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 TYR HA 32 ASP HN 4.50 (# 1081:10 Unique 2.69, 3.12 A)
&rst
ixpk= 1081, nxpk= 10, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1082 32 ASP HN 3.50 (# 1082:10 Single Ambig)
&rst
ixpk= 1082, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 519, 520, 477, 478, 498, 499,
&end
#
# 0 AMB 10-2:1083 32 ASP HN 4.50 (# 1083:10 Single Ambig)
&rst
ixpk= 1083, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 519, 520, 498, 499,
&end
#
# 30 TYR HB- 32 ASP HN 4.50 (# 1084:10 Unique 2.51, 3.75 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 477, 478,
&end
#
# 31 TYR HN 32 ASP HN 3.50 (# 1085:10 Unique 1.99, 2.66 A)
&rst
ixpk= 1085, nxpk= 10, iat= 494, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ALA HA 32 ASP HN 5.50 (# 1086:10 Unique 3.16, 4.73 A)
&rst
ixpk= 1086, nxpk= 10, iat= 237, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ILE HB 50 ASN HN 5.50 (# 1087:10 Unique 4.46, 5.14 A)
&rst
ixpk= 1087, nxpk= 10, iat= 776, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1088 129 VAL HN 5.50 (# 1088:10 Single Ambig)
&rst
ixpk= 1088, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2144,2114,2115,
&end
#
# 143 VAL MGX 104 MET HN 4.50 (# 1090:10 Unique 1.94, 4.11 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 10-2:1092 27 PHE HN 5.50 (# 1092:10 Single Ambig)
&rst
ixpk= 1092, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 321, 245, 473,
&end
#
# 27 PHE HB+ 27 PHE HN 4.50 (# 1093:10 Unique 2.14, 2.70 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 0 AMB 10-2:1094 0 AMB 10-1:1094 4.50 (# 1094:10 Double Ambig)
&rst
ixpk= 1094, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2038, 709, 717,
igr2=2065, 758,
&end
#
# 125 VAL HA 128 ILE HN 4.50 (# 1095:10 Unique 2.91, 3.40 A)
&rst
ixpk= 1095, nxpk= 10, iat=2024,2065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 GLU HG- 128 ILE HN 5.50 (# 1096:10 Unique 1.99, 4.60 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2057,2058,
&end
#
# 0 AMB 10-2:1097 128 ILE HN 3.50 (# 1097:10 Single Ambig)
&rst
ixpk= 1097, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2054,2055,2054,2055,
&end
#
# 0 AMB 10-2:1098 0 AMB 10-1:1098 4.50 (# 1098:10 Double Ambig)
&rst
ixpk= 1098, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 776,2071,2072,2073,2028,2029,2030,2032,2033,2034,
igr2= 758,2065,
&end
#
# 0 AMB 10-2:1099 0 AMB 10-1:1099 2.80 (# 1099:10 Double Ambig)
&rst
ixpk= 1099, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 772,2084,
igr2= 758,2065,
&end
#
# 46 LYS HN 47 ASN HN 3.50 (# 1100:10 Unique 2.15, 2.55 A)
&rst
ixpk= 1100, nxpk= 10, iat= 736, 758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 ASN HA 47 ASN HN 3.50 (# 1101:10 Unique 2.89, 2.91 A)
&rst
ixpk= 1101, nxpk= 10, iat= 760, 758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1102 0 AMB 10-1:1102 3.50 (# 1102:10 Double Ambig)
&rst
ixpk= 1102, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2067,2052, 703,
igr2=2065, 758,
&end
#
# 0 AMB 10-2:1103 0 AMB 10-1:1103 4.50 (# 1103:10 Double Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693,1975,
igr2= 758,2065,
&end
#
# 46 LYS HA 47 ASN HN 4.50 (# 1104:10 Unique 3.27, 3.47 A)
&rst
ixpk= 1104, nxpk= 10, iat= 738, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1105 47 ASN HN 2.80 (# 1105:10 Single Ambig)
&rst
ixpk= 1105, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 762, 763, 762, 763,
&end
#
# 0 AMB 10-2:1106 0 AMB 10-1:1106 2.80 (# 1106:10 Double Ambig)
&rst
ixpk= 1106, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2069, 740, 741, 740, 741,
igr2=2065, 758,
&end
#
# 0 AMB 10-2:1107 0 AMB 10-1:1107 4.50 (# 1107:10 Double Ambig)
&rst
ixpk= 1107, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 746, 747, 746, 747, 835, 836, 835, 836,2152,2153,
2152,2153,
igr2= 758,2065,
&end
#
# 0 AMB 10-2:1108 0 AMB 10-1:1108 4.50 (# 1108:10 Double Ambig)
&rst
ixpk= 1108, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 743, 744, 743, 744,2168, 832, 833, 832, 833, 695,
696, 697,
igr2= 758,2065,
&end
#
# 48 ILE HG1- 47 ASN HN 5.50 (# 1109:10 Unique 3.38, 4.29 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 783,
&end
#
# 0 AMB 10-2:1110 0 AMB 10-1:1110 5.50 (# 1110:10 Double Ambig)
&rst
ixpk= 1110, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 721,2100,
igr2= 758,2065,
&end
#
# 49 PHE HD 50 ASN HN 4.50 (# 1112:10 Unique 2.78, 4.66 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 799, 807,
&end
#
# 0 AMB 10-2:1113 50 ASN HN 2.80 (# 1113:10 Single Ambig)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 795, 796, 795, 796, 815, 816,
&end
#
# 0 AMB 10-2:1114 50 ASN HN 4.50 (# 1114:10 Single Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 832, 833, 832, 833, 743, 744, 743, 744,
&end
#
# 51 LYS HN 50 ASN HN 3.50 (# 1115:10 Unique 2.19, 2.76 A)
&rst
ixpk= 1115, nxpk= 10, iat= 825, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASN HA 50 ASN HN 3.50 (# 1116:10 Unique 2.62, 2.71 A)
&rst
ixpk= 1116, nxpk= 10, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASN HB+ 50 ASN HN 2.80 (# 1117:10 Unique 2.05, 2.52 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 815, 816,
&end
#
# 0 AMB 10-2:1118 50 ASN HN 5.50 (# 1118:10 Single Ambig)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 829, 830, 865, 866,
&end
#
# 47 ASN HA 50 ASN HN 5.50 (# 1119:10 Unique 2.85, 3.46 A)
&rst
ixpk= 1119, nxpk= 10, iat= 760, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1120 50 ASN HN 4.50 (# 1120:10 Single Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 829, 830, 740, 741,
&end
#
# 48 ILE HB 50 ASN HN 7.00 (# 1121:10 Unique 4.46, 5.14 A)
&rst
ixpk= 1121, nxpk= 10, iat= 776, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 130 ASP HN 129 VAL HN 5.50 (# 1122:10 Unique 3.44, 4.17 A)
&rst
ixpk= 1122, nxpk= 10, iat=2100,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1123 129 VAL HN 3.50 (# 1123:10 Single Ambig)
&rst
ixpk= 1123, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2069,2088,
&end
#
# 0 AMB 10-2:1124 129 VAL HN 4.50 (# 1124:10 Single Ambig)
&rst
ixpk= 1124, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2067,2052,
&end
#
# 0 AMB 10-2:1125 129 VAL HN 5.50 (# 1125:10 Single Ambig)
&rst
ixpk= 1125, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2165,2166,1560,1561,
&end
#
# 18 ILE HN 27 PHE HN 4.50 (# 1126:10 Unique 2.64, 3.15 A)
&rst
ixpk= 1126, nxpk= 10, iat= 283, 421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1127 27 PHE HN 4.50 (# 1127:10 Single Ambig)
&rst
ixpk= 1127, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 304, 266,
&end
#
# 18 ILE HB 27 PHE HN 3.50 (# 1128:10 Unique 1.95, 2.77 A)
&rst
ixpk= 1128, nxpk= 10, iat= 287, 421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1129 27 PHE HN 3.50 (# 1129:10 Single Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 406, 407, 406, 407,
&end
#
# 18 ILE QG2 27 PHE HN 4.50 (# 1130:10 Unique 3.68, 4.62 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 289, 290, 291,
&end
#
# 26 LEU HN 27 PHE HN 2.80 (# 1131:10 Unique 2.56, 2.77 A)
&rst
ixpk= 1131, nxpk= 10, iat= 402, 421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1132 27 PHE HN 3.50 (# 1132:10 Single Ambig)
&rst
ixpk= 1132, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 423, 404,
&end
#
# 0 AMB 10-2:1134 128 ILE HN 2.80 (# 1134:10 Single Ambig)
&rst
ixpk= 1134, nxpk= 10, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2272,2273,2274,2276,2277,2278,2272,2273,2274,2276,
2277,2278,2078,2079,2080,
&end
#
# 48 ILE QG2 47 ASN HN 7.00 (# 1135:10 Unique 4.75, 6.19 A)
&rst
ixpk= 1135, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 778, 779, 780,
&end
#
# 146 VAL HN 148 LEU HN 5.50 (# 1136:10 Unique 4.26, 5.62 A)
&rst
ixpk= 1136, nxpk= 10, iat=2339,2365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 PHE HA 50 ASN HN 4.50 (# 1137:10 Unique 3.43, 3.60 A)
&rst
ixpk= 1137, nxpk= 10, iat= 793, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HA 50 ASN HN 5.50 (# 1138:10 Unique 3.80, 4.76 A)
&rst
ixpk= 1138, nxpk= 10, iat= 774, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLY HN 66 THR HN 5.50 (# 1139:10 Unique 3.78, 4.45 A)
&rst
ixpk= 1139, nxpk= 10, iat=1320,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HA 66 THR HN 2.80 (# 1140:10 Unique 2.19, 2.34 A)
&rst
ixpk= 1140, nxpk= 10, iat=1045,1062, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 THR HA 66 THR HN 4.50 (# 1141:10 Unique 2.67, 2.78 A)
&rst
ixpk= 1141, nxpk= 10, iat=1064,1062, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1142 66 THR HN 4.50 (# 1142:10 Single Ambig)
&rst
ixpk= 1142, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1342,1343,1066,
&end
#
# 65 LEU HB+ 66 THR HN 4.50 (# 1143:10 Unique 2.99, 4.28 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1047,1048,
&end
#
# 0 AMB 10-2:1144 66 THR HN 3.50 (# 1144:10 Single Ambig)
&rst
ixpk= 1144, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1047,1048, 987, 988, 987, 988, 223, 224,
&end
#
# 0 AMB 10-2:1145 66 THR HN 4.50 (# 1145:10 Single Ambig)
&rst
ixpk= 1145, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1052,1053,1054,1056,1057,1058,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
&end
#
# 0 AMB 10-2:1146 66 THR HN 3.50 (# 1146:10 Single Ambig)
&rst
ixpk= 1146, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,1052,1053,1054,1056,1057,1058,1459,1460,
1461,1463,1464,1465, 55, 56, 57, 59, 60, 61,
&end
#
# 66 THR MG2 66 THR HN 5.50 (# 1147:10 Unique 2.33, 4.23 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1068,1069,1070,
&end
#
# 129 VAL MGX 129 VAL HN 5.50 (# 1148:10 Unique 1.95, 3.92 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 10-2:1149 129 VAL HN 3.50 (# 1149:10 Single Ambig)
&rst
ixpk= 1149, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2065,2050,
&end
#
# 135 LEU HG 129 VAL HN 5.50 (# 1151:10 Unique 5.03, 7.14 A)
&rst
ixpk= 1151, nxpk= 10, iat=2168,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1152 129 VAL HN 3.50 (# 1152:10 Single Ambig)
&rst
ixpk= 1152, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2071,2072,2073,2028,2029,2030,2032,2033,2034,
&end
#
# 129 VAL MGY 129 VAL HN 2.80 (# 1153:10 Unique 1.95, 3.92 A)
&rst
ixpk= 1153, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 129 VAL MGX 129 VAL HN 5.50 (# 1154:10 Unique 1.95, 3.92 A)
&rst
ixpk= 1154, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2090,2091,2092,2094,2095,2096,
&end
#
# 0 AMB 10-2:1155 129 VAL HN 4.50 (# 1155:10 Single Ambig)
&rst
ixpk= 1155, nxpk= 10, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2054,2055,2054,2055,2026,1560,1561,2187,2188,2187,
2188,
&end
#
# 0 AMB 10-2:1156 27 PHE HN 5.50 (# 1156:10 Single Ambig)
&rst
ixpk= 1156, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 321, 245, 473,
&end
#
# 0 AMB 10-2:1158 113 ALA HN 4.50 (# 1158:10 Single Ambig)
&rst
ixpk= 1158, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1857,1858,1859,1861,1862,1863,1857,1858,1859,1861,
1862,1863,1876,1877,1878,1880,1881,1882,1208,1209,
1186,1187,1188, 411, 412, 413, 415, 416, 417,
&end
#
# 111 LYS HA 113 ALA HN 7.00 (# 1159:10 Unique 3.90, 4.78 A)
&rst
ixpk= 1159, nxpk= 10, iat=1794,1838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 98 PHE HN 100 SER HN 5.50 (# 1160:10 Unique 3.66, 4.19 A)
&rst
ixpk= 1160, nxpk= 10, iat=1575,1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1161 27 PHE HN 5.50 (# 1161:10 Single Ambig)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 382, 383,1871,1872,
&end
#
# 112 ARG HN 113 ALA HN 4.50 (# 1164:10 Unique 2.56, 2.78 A)
&rst
ixpk= 1164, nxpk= 10, iat=1814,1838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1165 113 ALA HN 4.50 (# 1165:10 Single Ambig)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1816,1850,
&end
#
# 111 LYS HA 113 ALA HN 5.50 (# 1166:10 Unique 3.90, 4.78 A)
&rst
ixpk= 1166, nxpk= 10, iat=1794,1838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLU HB+ 113 ALA HN 5.50 (# 1167:10 Unique 3.97, 4.38 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1781,1782,
&end
#
# 0 AMB 10-2:1168 113 ALA HN 3.50 (# 1168:10 Single Ambig)
&rst
ixpk= 1168, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1784,1785,1818,1819,
&end
#
# 0 AMB 10-2:1169 113 ALA HN 4.50 (# 1169:10 Single Ambig)
&rst
ixpk= 1169, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1799,1800,1852,1853,
&end
#
# 111 LYS HN 113 ALA HN 5.50 (# 1170:10 Unique 3.69, 4.25 A)
&rst
ixpk= 1170, nxpk= 10, iat=1792,1838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 LEU HN 113 ALA HN 3.50 (# 1171:10 Unique 2.50, 2.83 A)
&rst
ixpk= 1171, nxpk= 10, iat=1848,1838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ALA HA 113 ALA HN 3.50 (# 1172:10 Unique 2.68, 2.75 A)
&rst
ixpk= 1172, nxpk= 10, iat=1840,1838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLU HG+ 113 ALA HN 3.50 (# 1173:10 Unique 1.87, 2.14 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1784,1785,
&end
#
# 0 AMB 10-2:1174 113 ALA HN 3.50 (# 1174:10 Single Ambig)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1821,1822,1818,1819,
&end
#
# 0 AMB 10-2:1175 113 ALA HN 2.80 (# 1175:10 Single Ambig)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1821,1822,1842,1843,1844,
&end
#
# 0 AMB 10-2:1176 113 ALA HN 4.50 (# 1176:10 Single Ambig)
&rst
ixpk= 1176, nxpk= 10, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1213,1214,1215,1217,1218,1219,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,1857,1858,
1859,1861,1862,1863,
&end
#
# 100 SER HB+ 100 SER HN 5.50 (# 1177:10 Unique 2.02, 2.68 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1611,1612,
&end
#
# 70 LYS HB- 70 LYS HN 5.50 (# 1178:10 Unique 2.08, 3.26 A)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1133,1134,
&end
#
# 0 AMB 10-2:1179 40 GLU HN 3.50 (# 1179:10 Single Ambig)
&rst
ixpk= 1179, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 652, 615,
&end
#
# 40 GLU HA 40 GLU HN 4.50 (# 1180:10 Unique 2.79, 2.83 A)
&rst
ixpk= 1180, nxpk= 10, iat= 639, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLU HG+ 40 GLU HN 4.50 (# 1181:10 Unique 2.39, 3.14 A)
&rst
ixpk= 1181, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 644, 645,
&end
#
# 0 AMB 10-2:1182 40 GLU HN 3.50 (# 1182:10 Single Ambig)
&rst
ixpk= 1182, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 641, 642, 644, 645,
&end
#
# 0 AMB 10-2:1183 40 GLU HN 3.50 (# 1183:10 Single Ambig)
&rst
ixpk= 1183, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 620, 676, 677, 656, 657,
&end
#
# 37 SER HN 40 GLU HN 4.50 (# 1184:10 Unique 3.87, 4.54 A)
&rst
ixpk= 1184, nxpk= 10, iat= 588, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 SER HB- 40 GLU HN 4.50 (# 1186:10 Unique 2.22, 3.02 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 0 AMB 10-2:1187 40 GLU HN 5.50 (# 1187:10 Single Ambig)
&rst
ixpk= 1187, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 654, 575, 576,
&end
#
# 40 GLU HB- 40 GLU HN 3.50 (# 1188:10 Unique 2.12, 2.91 A)
&rst
ixpk= 1188, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 641, 642,
&end
#
# 0 AMB 10-2:1189 40 GLU HN 3.50 (# 1189:10 Single Ambig)
&rst
ixpk= 1189, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 620, 673, 674, 673, 674,
&end
#
# 0 AMB 10-2:1190 40 GLU HN 5.50 (# 1190:10 Single Ambig)
&rst
ixpk= 1190, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 679, 680, 622, 623,
&end
#
# 99 ASP HN 100 SER HN 4.50 (# 1191:10 Unique 2.24, 2.64 A)
&rst
ixpk= 1191, nxpk= 10, iat=1595,1607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1193 0 AMB 10-1:1193 2.80 (# 1193:10 Double Ambig)
&rst
ixpk= 1193, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1609,1452,
igr2=1607,1469,
&end
#
# 0 AMB 10-2:1194 0 AMB 10-1:1194 5.50 (# 1194:10 Double Ambig)
&rst
ixpk= 1194, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2222,2223,1655,1656,1579,1580,1096,1406,1407,
igr2=1607,1469,
&end
#
# 69 TYR HB+ 70 LYS HN 5.50 (# 1195:10 Unique 2.33, 3.54 A)
&rst
ixpk= 1195, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1112,1113,
&end
#
# 0 AMB 10-2:1196 46 LYS HN 5.50 (# 1196:10 Single Ambig)
&rst
ixpk= 1196, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 772, 791,
&end
#
# 45 GLU HG- 46 LYS HN 4.50 (# 1198:10 Unique 4.18, 4.81 A)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 728, 729,
&end
#
# 0 AMB 10-2:1199 46 LYS HN 3.50 (# 1199:10 Single Ambig)
&rst
ixpk= 1199, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 758, 767, 768,
&end
#
# 43 ALA HA 46 LYS HN 4.50 (# 1200:10 Unique 3.21, 3.47 A)
&rst
ixpk= 1200, nxpk= 10, iat= 693, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LYS HA 46 LYS HN 3.50 (# 1201:10 Unique 2.74, 2.82 A)
&rst
ixpk= 1201, nxpk= 10, iat= 738, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 GLU HA 46 LYS HN 5.50 (# 1202:10 Unique 3.32, 3.47 A)
&rst
ixpk= 1202, nxpk= 10, iat= 723, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1203 46 LYS HN 4.50 (# 1203:10 Single Ambig)
&rst
ixpk= 1203, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 762, 763, 762, 763, 795, 796, 795, 796, 815, 816,
&end
#
# 0 AMB 10-2:1204 46 LYS HN 2.80 (# 1204:10 Single Ambig)
&rst
ixpk= 1204, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 740, 741, 740, 741,
&end
#
# 0 AMB 10-2:1205 46 LYS HN 3.50 (# 1205:10 Single Ambig)
&rst
ixpk= 1205, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 725, 726, 746, 747, 746, 747,
&end
#
# 0 AMB 10-2:1206 46 LYS HN 3.50 (# 1206:10 Single Ambig)
&rst
ixpk= 1206, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 743, 744, 743, 744,
&end
#
# 0 AMB 10-2:1207 40 GLU HN 5.50 (# 1207:10 Single Ambig)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 599, 669,
&end
#
# 0 AMB 10-2:1208 40 GLU HN 4.50 (# 1208:10 Single Ambig)
&rst
ixpk= 1208, nxpk= 10, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 676, 677, 622, 623, 695, 696, 697,
&end
#
# 0 AMB 10-2:1209 0 AMB 10-1:1209 5.50 (# 1209:10 Double Ambig)
&rst
ixpk= 1209, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 960, 961, 962, 659, 660, 659, 660,
igr2= 954, 637,
&end
#
# 0 AMB 10-2:1211 59 ILE HN 5.50 (# 1211:10 Single Ambig)
&rst
ixpk= 1211, nxpk= 10, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 932, 933, 932, 933, 941,
&end
#
# 58 GLU HN 59 ILE HN 5.50 (# 1212:10 Unique 1.93, 2.40 A)
&rst
ixpk= 1212, nxpk= 10, iat= 939, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HB 59 ILE HN 4.50 (# 1213:10 Unique 2.16, 3.03 A)
&rst
ixpk= 1213, nxpk= 10, iat= 958, 954, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1214 0 AMB 10-1:1214 4.50 (# 1214:10 Double Ambig)
&rst
ixpk= 1214, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1414,2232,2282,
igr2=1469,1607,
&end
#
# 0 AMB 10-2:1215 0 AMB 10-1:1215 3.50 (# 1215:10 Double Ambig)
&rst
ixpk= 1215, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1618,1486,
igr2=1607,1469,
&end
#
# 90 LEU HN 91 MET HN 4.50 (# 1216:10 Unique 2.45, 2.76 A)
&rst
ixpk= 1216, nxpk= 10, iat=1450,1469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1217 0 AMB 10-1:1217 3.50 (# 1217:10 Double Ambig)
&rst
ixpk= 1217, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1471,1597,2228,
igr2=1469,1607,
&end
#
# 0 AMB 10-2:1218 0 AMB 10-1:1218 3.50 (# 1218:10 Double Ambig)
&rst
ixpk= 1218, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2225,2226,1457,
igr2=1607,1469,
&end
#
# 0 AMB 10-2:1219 0 AMB 10-1:1219 3.50 (# 1219:10 Double Ambig)
&rst
ixpk= 1219, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1423,1424,1425,1427,1428,1429,1622,1623,
964, 965,2288,2289,2290,2292,2293,2294,1291,1292,
1293,1295,1296,1297,
igr2=1469,1607,
&end
#
# 90 LEU HB- 91 MET HN 4.50 (# 1220:10 Unique 2.45, 3.33 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1454,1455,
&end
#
# 77 PHE HB+ 70 LYS HN 5.50 (# 1221:10 Unique 2.41, 3.58 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1248,1249,
&end
#
# 0 AMB 10-2:1222 70 LYS HN 4.50 (# 1222:10 Single Ambig)
&rst
ixpk= 1222, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1112,1113,1227,1228,1227,1228,
&end
#
# 69 TYR HD 70 LYS HN 4.50 (# 1223:10 Unique 1.96, 4.33 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1125,
&end
#
# 77 PHE HB- 70 LYS HN 7.00 (# 1224:10 Unique 2.41, 3.58 A)
&rst
ixpk= 1224, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1248,1249,
&end
#
# 23 GLY HA- 22 ASP HN 7.00 (# 1225:10 Unique 3.63, 4.14 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 361, 362,
&end
#
# 107 LYS HN 108 ASN HN 4.50 (# 1226:10 Unique 2.74, 3.91 A)
&rst
ixpk= 1226, nxpk= 10, iat=1725,1747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HN 46 LYS HN 4.50 (# 1227:10 Unique 2.41, 2.54 A)
&rst
ixpk= 1227, nxpk= 10, iat= 721, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HB+ 46 LYS HN 4.50 (# 1229:10 Unique 2.89, 3.71 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 725, 726,
&end
#
# 0 AMB 10-2:1230 46 LYS HN 5.50 (# 1230:10 Single Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 10-2:1231 59 ILE HN 4.50 (# 1231:10 Single Ambig)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 960, 961, 962, 967, 968, 969,
&end
#
# 99 ASP HB+ 100 SER HN 5.50 (# 1232:10 Unique 2.36, 3.31 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1599,1600,
&end
#
# 0 AMB 10-2:1233 91 MET HN 4.50 (# 1233:10 Single Ambig)
&rst
ixpk= 1233, nxpk= 10, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1433,1496,
&end
#
# 0 AMB 10-2:1234 0 AMB 10-1:1234 3.50 (# 1234:10 Double Ambig)
&rst
ixpk= 1234, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1599,1600,1476,1477,1476,1477,
igr2=1607,1469,
&end
#
# 0 AMB 10-2:1235 91 MET HN 2.80 (# 1235:10 Single Ambig)
&rst
ixpk= 1235, nxpk= 10, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1473,1474,1473,1474,
&end
#
# 0 AMB 10-2:1236 91 MET HN 4.50 (# 1236:10 Single Ambig)
&rst
ixpk= 1236, nxpk= 10, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1490,1491,1492, 964, 965,2152,2153,
&end
#
# 0 AMB 10-2:1237 0 AMB 10-1:1237 5.50 (# 1237:10 Double Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1112,1113,1599,1600,1227,1228,
igr2=1129,1607,
&end
#
# 0 AMB 10-2:1238 0 AMB 10-1:1238 5.50 (# 1238:10 Double Ambig)
&rst
ixpk= 1238, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1655,1656,1440,1441,1579,1580,1096,
igr2=1607,1469,
&end
#
# 70 LYS HA 70 LYS HN 5.50 (# 1239:10 Unique 2.75, 2.90 A)
&rst
ixpk= 1239, nxpk= 10, iat=1131,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LEU MDX 70 LYS HN 4.50 (# 1240:10 Unique 2.26, 4.79 A)
&rst
ixpk= 1240, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 69 TYR HA 70 LYS HN 4.50 (# 1241:10 Unique 2.19, 2.40 A)
&rst
ixpk= 1241, nxpk= 10, iat=1110,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1242 22 ASP HN 3.50 (# 1242:10 Single Ambig)
&rst
ixpk= 1242, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 333, 366,
&end
#
# 23 GLY HN 22 ASP HN 2.80 (# 1243:10 Unique 1.84, 1.93 A)
&rst
ixpk= 1243, nxpk= 10, iat= 359, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ASP HA 22 ASP HN 3.50 (# 1244:10 Unique 2.74, 2.83 A)
&rst
ixpk= 1244, nxpk= 10, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ASN HA 22 ASP HN 4.50 (# 1245:10 Unique 2.56, 2.89 A)
&rst
ixpk= 1245, nxpk= 10, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ASN HB+ 22 ASP HN 5.50 (# 1246:10 Unique 4.01, 4.50 A)
&rst
ixpk= 1246, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 337, 338,
&end
#
# 0 AMB 10-2:1247 22 ASP HN 4.50 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 361, 362, 337, 338,1227,1228,1227,1228,
&end
#
# 22 ASP HB+ 22 ASP HN 2.80 (# 1248:10 Unique 2.10, 3.16 A)
&rst
ixpk= 1248, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 351, 352,
&end
#
# 0 AMB 10-2:1249 22 ASP HN 2.80 (# 1249:10 Single Ambig)
&rst
ixpk= 1249, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 325, 326, 351, 352,
&end
#
# 23 GLY HA- 22 ASP HN 5.50 (# 1250:10 Unique 3.63, 4.14 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 361, 362,
&end
#
# 20 ASP HN 22 ASP HN 4.50 (# 1251:10 Unique 3.61, 4.07 A)
&rst
ixpk= 1251, nxpk= 10, iat= 321, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB+ 22 ASP HN 5.50 (# 1252:10 Unique 1.93, 3.80 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 325, 326,
&end
#
# 0 AMB 10-2:1253 90 LEU HN 5.50 (# 1253:10 Single Ambig)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1452,1401,
&end
#
# 90 LEU HB+ 90 LEU HN 3.50 (# 1254:10 Unique 2.25, 2.98 A)
&rst
ixpk= 1254, nxpk= 10, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1454,1455,
&end
#
# 0 AMB 10-2:1255 90 LEU HN 3.50 (# 1255:10 Single Ambig)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1459,1460,1461,1463,1464,1465,1459,1460,1461,1463,
1464,1465,
&end
#
# 91 MET HN 90 LEU HN 4.50 (# 1256:10 Unique 2.45, 2.76 A)
&rst
ixpk= 1256, nxpk= 10, iat=1469,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1257 90 LEU HN 5.50 (# 1257:10 Single Ambig)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1401,1331,1332,
&end
#
# 90 LEU HG 90 LEU HN 4.50 (# 1258:10 Unique 1.94, 3.43 A)
&rst
ixpk= 1258, nxpk= 10, iat=1457,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 LEU HB- 90 LEU HN 4.50 (# 1259:10 Unique 2.25, 2.98 A)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1454,1455,
&end
#
# 89 MET HN 90 LEU HN 4.50 (# 1260:10 Unique 2.62, 2.81 A)
&rst
ixpk= 1260, nxpk= 10, iat=1433,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 MET HN 119 GLU HN 3.50 (# 1261:10 Unique 2.10, 2.61 A)
&rst
ixpk= 1261, nxpk= 10, iat=1915,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 GLY HN 119 GLU HN 3.50 (# 1262:10 Unique 2.11, 2.52 A)
&rst
ixpk= 1262, nxpk= 10, iat=1947,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1263 119 GLU HN 4.50 (# 1263:10 Single Ambig)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1981,1989,1954,
&end
#
# 117 ASN HA 119 GLU HN 4.50 (# 1264:10 Unique 3.20, 3.72 A)
&rst
ixpk= 1264, nxpk= 10, iat=1903,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 GLU HA 119 GLU HN 3.50 (# 1265:10 Unique 2.68, 2.80 A)
&rst
ixpk= 1265, nxpk= 10, iat=1934,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 MET HG+ 119 GLU HN 4.50 (# 1266:10 Unique 4.20, 4.77 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1922,1923,
&end
#
# 0 AMB 10-2:1267 119 GLU HN 3.50 (# 1267:10 Single Ambig)
&rst
ixpk= 1267, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1939,1940,1939,1940,
&end
#
# 0 AMB 10-2:1268 119 GLU HN 2.80 (# 1268:10 Single Ambig)
&rst
ixpk= 1268, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1936,1937,1936,1937,
&end
#
# 46 LYS HA 48 ILE HN 5.50 (# 1270:10 Unique 3.69, 4.24 A)
&rst
ixpk= 1270, nxpk= 10, iat= 738, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLU HB+ 48 ILE HN 5.50 (# 1271:10 Unique 4.29, 5.01 A)
&rst
ixpk= 1271, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 725, 726,
&end
#
# 0 AMB 10-2:1272 48 ILE HN 5.50 (# 1272:10 Single Ambig)
&rst
ixpk= 1272, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 832, 833, 832, 833, 743, 744, 743, 744,
&end
#
# 0 AMB 10-2:1273 48 ILE HN 5.50 (# 1273:10 Single Ambig)
&rst
ixpk= 1273, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 829, 830, 725, 726,
&end
#
# 62 LEU MDX 48 ILE HN 4.50 (# 1274:10 Unique 3.06, 5.27 A)
&rst
ixpk= 1274, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 10-2:1276 22 ASP HN 7.00 (# 1276:10 Single Ambig)
&rst
ixpk= 1276, nxpk= 10, iat= -1, 347, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,1213,1214,1215,1217,1218,1219,1213,1214,
1215,1217,1218,1219,
&end
#
# 32 ASP HB- 34 THR HN 5.50 (# 1277:10 Unique 1.97, 3.89 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 519, 520,
&end
#
# 118 MET HA 119 GLU HN 4.50 (# 1279:10 Unique 3.45, 3.60 A)
&rst
ixpk= 1279, nxpk= 10, iat=1917,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1280 119 GLU HN 4.50 (# 1280:10 Single Ambig)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1949,1950,1949,1950,
&end
#
# 0 AMB 10-2:1281 119 GLU HN 5.50 (# 1281:10 Single Ambig)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1=1961,2002,2003,2004,2006,2007,2008,2002,2003,2004,
2006,2007,2008,1876,1877,1878,1880,1881,1882,1622,
1623,
&end
#
# 46 LYS HN 48 ILE HN 5.50 (# 1283:10 Unique 3.47, 3.99 A)
&rst
ixpk= 1283, nxpk= 10, iat= 736, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1284 48 ILE HN 3.50 (# 1284:10 Single Ambig)
&rst
ixpk= 1284, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 758, 767, 768,
&end
#
# 47 ASN HA 48 ILE HN 4.50 (# 1285:10 Unique 2.79, 3.32 A)
&rst
ixpk= 1285, nxpk= 10, iat= 760, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HA 48 ILE HN 4.50 (# 1286:10 Unique 2.65, 2.82 A)
&rst
ixpk= 1286, nxpk= 10, iat= 774, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1287 48 ILE HN 2.80 (# 1287:10 Single Ambig)
&rst
ixpk= 1287, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 762, 763, 762, 763, 795, 796,
&end
#
# 48 ILE HB 48 ILE HN 3.50 (# 1288:10 Unique 1.98, 2.30 A)
&rst
ixpk= 1288, nxpk= 10, iat= 776, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 ILE HG1- 48 ILE HN 3.50 (# 1289:10 Unique 2.14, 3.27 A)
&rst
ixpk= 1289, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 782, 783,
&end
#
# 48 ILE HG1+ 48 ILE HN 4.50 (# 1290:10 Unique 2.14, 3.27 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 782, 783,
&end
#
# 48 ILE QD1 48 ILE HN 4.50 (# 1291:10 Unique 4.13, 4.98 A)
&rst
ixpk= 1291, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 785, 786, 787,
&end
#
# 48 ILE QG2 48 ILE HN 5.50 (# 1292:10 Unique 3.48, 4.37 A)
&rst
ixpk= 1292, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 778, 779, 780,
&end
#
# 45 GLU HB+ 48 ILE HN 5.50 (# 1293:10 Unique 4.29, 5.01 A)
&rst
ixpk= 1293, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 725, 726,
&end
#
# 62 LEU MDY 48 ILE HN 4.50 (# 1294:10 Unique 3.06, 5.27 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 10-2:1295 34 THR HN 4.50 (# 1295:10 Single Ambig)
&rst
ixpk= 1295, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 477, 478, 531, 532, 531, 532,
&end
#
# 0 AMB 10-2:1297 0 AMB 10-1:1297 4.50 (# 1297:10 Double Ambig)
&rst
ixpk= 1297, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1756,1757,2355,
igr2=1747,2315,
&end
#
# 108 ASN HA 108 ASN HN 3.50 (# 1299:10 Unique 2.20, 2.80 A)
&rst
ixpk= 1299, nxpk= 10, iat=1749,1747, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1300 0 AMB 10-1:1300 3.50 (# 1300:10 Double Ambig)
&rst
ixpk= 1300, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1727,2251,
igr2=1747,2315,
&end
#
# 108 ASN HB- 108 ASN HN 2.80 (# 1301:10 Unique 2.15, 3.08 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1751,1752,
&end
#
# 107 LYS HB+ 108 ASN HN 2.80 (# 1302:10 Unique 1.81, 2.75 A)
&rst
ixpk= 1302, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1729,1730,
&end
#
# 0 AMB 10-2:1303 108 ASN HN 4.50 (# 1303:10 Single Ambig)
&rst
ixpk= 1303, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1732,1733,1732,1733,
&end
#
# 0 AMB 10-2:1304 0 AMB 10-1:1304 5.50 (# 1304:10 Double Ambig)
&rst
ixpk= 1304, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,1179,1180,1181,2288,2289,2290,2292,2293,
2294,1186,1187,1188,
igr2=2315,1747,
&end
#
# 109 VAL HN 108 ASN HN 5.50 (# 1305:10 Unique 1.65, 2.67 A)
&rst
ixpk= 1305, nxpk= 10, iat=1761,1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL MGX 108 ASN HN 5.50 (# 1306:10 Unique 2.80, 5.58 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 35 TYR HN 34 THR HN 3.50 (# 1307:10 Unique 2.07, 2.76 A)
&rst
ixpk= 1307, nxpk= 10, iat= 553, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 ASP HN 34 THR HN 4.50 (# 1308:10 Unique 1.73, 2.89 A)
&rst
ixpk= 1308, nxpk= 10, iat= 527, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR HD 34 THR HN 5.50 (# 1309:10 Unique 4.15, 5.90 A)
&rst
ixpk= 1309, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 570,
&end
#
# 0 AMB 10-2:1311 34 THR HN 3.50 (# 1311:10 Single Ambig)
&rst
ixpk= 1311, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 575, 576, 575, 576, 543,
&end
#
# 34 THR HA 34 THR HN 3.50 (# 1312:10 Unique 2.22, 2.78 A)
&rst
ixpk= 1312, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 THR MG2 34 THR HN 4.50 (# 1313:10 Unique 2.48, 4.00 A)
&rst
ixpk= 1313, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 545, 546, 547,
&end
#
# 0 AMB 10-2:1314 34 THR HN 5.50 (# 1314:10 Single Ambig)
&rst
ixpk= 1314, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 223, 224, 223, 224, 220, 221, 220, 221,
&end
#
# 0 AMB 10-2:1315 0 AMB 10-1:1315 4.50 (# 1315:10 Double Ambig)
&rst
ixpk= 1315, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=2345,2346,2347,2349,2350,2351,2345,2346,2347,2349,
2350,2351,1179,1180,1181,2288,2289,2290,2292,2293,
2294,1186,1187,1188,
igr2=2315,1747,
&end
#
# 0 AMB 10-2:1316 108 ASN HN 4.50 (# 1316:10 Single Ambig)
&rst
ixpk= 1316, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1691,1692,1693,1695,1696,1697,1767,1768,1769,1771,
1772,1773,
&end
#
# 145 ARG HA 145 ARG HN 4.50 (# 1317:10 Unique 2.62, 2.73 A)
&rst
ixpk= 1317, nxpk= 10, iat=2317,2315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1318 0 AMB 10-1:1318 3.50 (# 1318:10 Double Ambig)
&rst
ixpk= 1318, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2322,2323,1735,1736,1735,1736,
igr2=2315,1747,
&end
#
# 0 AMB 10-2:1319 0 AMB 10-1:1319 2.80 (# 1319:10 Double Ambig)
&rst
ixpk= 1319, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1729,1730,2319,2320,2319,2320,
igr2=1747,2315,
&end
#
# 0 AMB 10-2:1320 108 ASN HN 4.50 (# 1320:10 Single Ambig)
&rst
ixpk= 1320, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
&end
#
# 33 ASP HA 34 THR HN 4.50 (# 1321:10 Unique 2.36, 2.75 A)
&rst
ixpk= 1321, nxpk= 10, iat= 529, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 ASP HB+ 34 THR HN 4.50 (# 1322:10 Unique 1.97, 3.89 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 519, 520,
&end
#
# 71 SER HA 71 SER HN 4.50 (# 1323:10 Unique 2.17, 2.36 A)
&rst
ixpk= 1323, nxpk= 10, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 LYS HA 71 SER HN 3.50 (# 1324:10 Unique 2.20, 3.29 A)
&rst
ixpk= 1324, nxpk= 10, iat=1131,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1325 71 SER HN 4.50 (# 1325:10 Single Ambig)
&rst
ixpk= 1325, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1155,1156,1155,1156,
&end
#
# 70 LYS HB+ 71 SER HN 4.50 (# 1326:10 Unique 2.36, 3.66 A)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1133,1134,
&end
#
# 70 LYS HB- 71 SER HN 4.50 (# 1327:10 Unique 2.36, 3.66 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1133,1134,
&end
#
# 70 LYS HD- 71 SER HN 5.50 (# 1328:10 Unique 1.99, 4.17 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1139,1140,
&end
#
# 0 AMB 10-2:1330 71 SER HN 3.50 (# 1330:10 Single Ambig)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1136,1137,1136,1137,1139,1140,
&end
#
# 144 HIS HN 145 ARG HN 4.50 (# 1332:10 Unique 2.06, 2.67 A)
&rst
ixpk= 1332, nxpk= 10, iat=2298,2315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1333 145 ARG HN 3.50 (# 1333:10 Single Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2325,2326,2302,2303,2302,2303,
&end
#
# 146 VAL HN 145 ARG HN 4.50 (# 1334:10 Unique 2.02, 2.69 A)
&rst
ixpk= 1334, nxpk= 10, iat=2339,2315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLN HN 42 LYS HN 4.50 (# 1336:10 Unique 2.35, 2.60 A)
&rst
ixpk= 1336, nxpk= 10, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 PHE HN 42 LYS HN 5.50 (# 1337:10 Unique 4.11, 4.57 A)
&rst
ixpk= 1337, nxpk= 10, iat= 701, 669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ALA HN 42 LYS HN 4.50 (# 1338:10 Unique 3.06, 3.58 A)
&rst
ixpk= 1338, nxpk= 10, iat= 691, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1340 42 LYS HN 5.50 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 639, 693,
&end
#
# 0 AMB 10-2:1341 42 LYS HN 3.50 (# 1341:10 Single Ambig)
&rst
ixpk= 1341, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 671, 617,
&end
#
# 0 AMB 10-2:1342 42 LYS HN 4.50 (# 1342:10 Single Ambig)
&rst
ixpk= 1342, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 654, 601,
&end
#
# 0 AMB 10-2:1343 42 LYS HN 5.50 (# 1343:10 Single Ambig)
&rst
ixpk= 1343, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 641, 642, 603, 725, 726,
&end
#
# 0 AMB 10-2:1344 42 LYS HN 2.80 (# 1344:10 Single Ambig)
&rst
ixpk= 1344, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 673, 674, 673, 674,
&end
#
# 0 AMB 10-2:1345 42 LYS HN 2.80 (# 1345:10 Single Ambig)
&rst
ixpk= 1345, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 676, 677, 679, 680,
&end
#
# 42 LYS HG- 42 LYS HN 3.50 (# 1346:10 Unique 2.33, 2.87 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 676, 677,
&end
#
# 38 VAL MGX 42 LYS HN 4.50 (# 1347:10 Unique 3.77, 5.81 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 605, 606, 607, 609, 610, 611,
&end
#
# 83 SER HA 83 SER HN 4.50 (# 1348:10 Unique 2.17, 2.61 A)
&rst
ixpk= 1348, nxpk= 10, iat=1340,1338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1349 83 SER HN 4.50 (# 1349:10 Single Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 152, 153, 154, 156, 157, 158, 55, 56, 57, 59,
60, 61, 55, 56, 57, 59, 60, 61,
&end
#
# 82 SER HB+ 83 SER HN 4.50 (# 1351:10 Unique 1.93, 3.41 A)
&rst
ixpk= 1351, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1331,1332,
&end
#
# 0 AMB 10-2:1352 83 SER HN 3.50 (# 1352:10 Single Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1331,1332,1342,1343,
&end
#
# 0 AMB 10-2:1353 83 SER HN 5.50 (# 1353:10 Single Ambig)
&rst
ixpk= 1353, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 50, 51, 50, 51, 53,1047,1048, 220, 221, 220,
221, 217, 218, 223, 224,
&end
#
# 141 GLN HA 141 GLN HN 4.50 (# 1356:10 Unique 2.68, 2.79 A)
&rst
ixpk= 1356, nxpk= 10, iat=2251,2249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 VAL MGX 141 GLN HN 5.50 (# 1357:10 Unique 3.28, 6.28 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2272,2273,2274,2276,2277,2278,
&end
#
# 141 GLN HA 141 GLN HN 4.50 (# 1359:10 Unique 2.68, 2.79 A)
&rst
ixpk= 1359, nxpk= 10, iat=2251,2249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLU HN 42 LYS HN 5.50 (# 1360:10 Unique 3.52, 3.83 A)
&rst
ixpk= 1360, nxpk= 10, iat= 637, 669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1362 33 ASP HN 4.50 (# 1362:10 Single Ambig)
&rst
ixpk= 1362, nxpk= 10, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 519, 520, 477, 478,
&end
#
# 140 GLN HN 141 GLN HN 4.50 (# 1363:10 Unique 2.34, 2.74 A)
&rst
ixpk= 1363, nxpk= 10, iat=2232,2249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1364 141 GLN HN 4.50 (# 1364:10 Single Ambig)
&rst
ixpk= 1364, nxpk= 10, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2239,2240,2256,2257,
&end
#
# 0 AMB 10-2:1365 141 GLN HN 4.50 (# 1365:10 Single Ambig)
&rst
ixpk= 1365, nxpk= 10, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2239,2240,2256,2257,
&end
#
# 0 AMB 10-2:1366 141 GLN HN 3.50 (# 1366:10 Single Ambig)
&rst
ixpk= 1366, nxpk= 10, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2253,2254,2253,2254,2236,2237,2236,2237,
&end
#
# 0 AMB 10-2:1367 141 GLN HN 5.50 (# 1367:10 Single Ambig)
&rst
ixpk= 1367, nxpk= 10, iat= -1,2249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2239,2240,2256,2257,
&end
#
# 0 AMB 10-2:1368 126 ASP HN 5.50 (# 1368:10 Single Ambig)
&rst
ixpk= 1368, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2012,2084,
&end
#
# 125 VAL HN 126 ASP HN 3.50 (# 1369:10 Unique 2.54, 2.72 A)
&rst
ixpk= 1369, nxpk= 10, iat=2022,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 GLU HN 126 ASP HN 3.50 (# 1370:10 Unique 2.56, 2.80 A)
&rst
ixpk= 1370, nxpk= 10, iat=2050,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 ASP HA 126 ASP HN 3.50 (# 1371:10 Unique 2.64, 2.77 A)
&rst
ixpk= 1371, nxpk= 10, iat=2040,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 LEU HA 126 ASP HN 4.50 (# 1372:10 Unique 2.98, 3.26 A)
&rst
ixpk= 1372, nxpk= 10, iat=1995,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1373 126 ASP HN 4.50 (# 1373:10 Single Ambig)
&rst
ixpk= 1373, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2024,1977,1978,
&end
#
# 0 AMB 10-2:1374 126 ASP HN 2.80 (# 1374:10 Single Ambig)
&rst
ixpk= 1374, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2042,2043,2042,2043,
&end
#
# 127 GLU HG- 126 ASP HN 7.00 (# 1375:10 Unique 3.98, 5.40 A)
&rst
ixpk= 1375, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2057,2058,
&end
#
# 0 AMB 10-2:1376 126 ASP HN 3.50 (# 1376:10 Single Ambig)
&rst
ixpk= 1376, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2026,2054,2055,2054,2055,
&end
#
# 125 VAL MGX 126 ASP HN 3.50 (# 1377:10 Unique 1.94, 4.38 A)
&rst
ixpk= 1377, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2028,2029,2030,2032,2033,2034,
&end
#
# 0 AMB 10-2:1378 126 ASP HN 4.50 (# 1378:10 Single Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=2075,2076,2075,2076,2002,2003,2004,2006,2007,2008,
2002,2003,2004,2006,2007,2008,1565,1566,1567,1569,
1570,1571,
&end
#
# 125 VAL MGY 126 ASP HN 4.50 (# 1379:10 Unique 1.94, 4.38 A)
&rst
ixpk= 1379, nxpk= 10, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2028,2029,2030,2032,2033,2034,
&end
#
# 104 MET HN 105 LEU HN 3.50 (# 1380:10 Unique 1.95, 2.64 A)
&rst
ixpk= 1380, nxpk= 10, iat=1665,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1381 105 LEU HN 2.80 (# 1381:10 Single Ambig)
&rst
ixpk= 1381, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1701,1648,
&end
#
# 0 AMB 10-2:1382 105 LEU HN 4.50 (# 1382:10 Single Ambig)
&rst
ixpk= 1382, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1620,1703,
&end
#
# 0 AMB 10-2:1383 105 LEU HN 3.50 (# 1383:10 Single Ambig)
&rst
ixpk= 1383, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1669,1670,1669,1670,
&end
#
# 105 LEU HG 105 LEU HN 4.50 (# 1384:10 Unique 2.24, 3.19 A)
&rst
ixpk= 1384, nxpk= 10, iat=1689,1682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 LEU HB+ 105 LEU HN 2.80 (# 1385:10 Unique 2.10, 2.93 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1686,1687,
&end
#
# 105 LEU HB- 105 LEU HN 2.80 (# 1386:10 Unique 2.10, 2.93 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1686,1687,
&end
#
# 0 AMB 10-2:1387 105 LEU HN 3.50 (# 1387:10 Single Ambig)
&rst
ixpk= 1387, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,
&end
#
# 32 ASP HB- 33 ASP HN 3.50 (# 1389:10 Unique 1.98, 2.98 A)
&rst
ixpk= 1389, nxpk= 10, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 519, 520,
&end
#
# 0 AMB 10-2:1390 33 ASP HN 2.80 (# 1390:10 Single Ambig)
&rst
ixpk= 1390, nxpk= 10, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 531, 532, 531, 532, 477, 478,
&end
#
# 34 THR HN 33 ASP HN 4.50 (# 1391:10 Unique 1.73, 2.89 A)
&rst
ixpk= 1391, nxpk= 10, iat= 539, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1392 105 LEU HN 5.50 (# 1392:10 Single Ambig)
&rst
ixpk= 1392, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1622,1623,2288,2289,2290,2292,2293,2294,
&end
#
# 109 VAL MGX 105 LEU HN 5.50 (# 1393:10 Unique 3.68, 6.62 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 105 LEU HA 105 LEU HN 2.80 (# 1394:10 Unique 2.81, 2.89 A)
&rst
ixpk= 1394, nxpk= 10, iat=1684,1682, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 MET HG- 105 LEU HN 4.50 (# 1395:10 Unique 1.87, 3.09 A)
&rst
ixpk= 1395, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1672,1673,
&end
#
# 104 MET HG+ 105 LEU HN 4.50 (# 1396:10 Unique 1.87, 3.09 A)
&rst
ixpk= 1396, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1672,1673,
&end
#
# 0 AMB 10-2:1397 105 LEU HN 7.00 (# 1397:10 Single Ambig)
&rst
ixpk= 1397, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1655,1656,1893,1894,1939,1940,1939,1940,
&end
#
# 0 AMB 10-2:1399 143 VAL HN 5.50 (# 1399:10 Single Ambig)
&rst
ixpk= 1399, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2228,2251,
&end
#
# 144 HIS HN 143 VAL HN 4.50 (# 1402:10 Unique 1.98, 2.59 A)
&rst
ixpk= 1402, nxpk= 10, iat=2298,2282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1403 0 AMB 10-1:1403 3.50 (# 1403:10 Double Ambig)
&rst
ixpk= 1403, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 575, 576,2284,
igr2= 527,2282,
&end
#
# 0 AMB 10-2:1404 0 AMB 10-1:1404 3.50 (# 1404:10 Double Ambig)
&rst
ixpk= 1404, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 578, 579, 578, 579,2286, 581, 582,
igr2= 527,2282,
&end
#
# 143 VAL MGY 143 VAL HN 2.80 (# 1405:10 Unique 1.94, 3.52 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 143 VAL MGX 143 VAL HN 2.80 (# 1406:10 Unique 1.94, 3.52 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 111 LYS HN 112 ARG HN 4.50 (# 1408:10 Unique 2.41, 2.93 A)
&rst
ixpk= 1408, nxpk= 10, iat=1792,1814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 LEU HN 112 ARG HN 5.50 (# 1409:10 Unique 3.66, 4.21 A)
&rst
ixpk= 1409, nxpk= 10, iat=1848,1814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ARG HA 112 ARG HN 3.50 (# 1411:10 Unique 2.62, 2.75 A)
&rst
ixpk= 1411, nxpk= 10, iat=1816,1814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 LYS HA 112 ARG HN 4.50 (# 1412:10 Unique 3.56, 3.62 A)
&rst
ixpk= 1412, nxpk= 10, iat=1794,1814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1413 112 ARG HN 3.50 (# 1413:10 Single Ambig)
&rst
ixpk= 1413, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1796,1797,1781,1782,
&end
#
# 0 AMB 10-2:1414 112 ARG HN 2.80 (# 1414:10 Single Ambig)
&rst
ixpk= 1414, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1784,1785,1818,1819,
&end
#
# 0 AMB 10-2:1415 112 ARG HN 2.80 (# 1415:10 Single Ambig)
&rst
ixpk= 1415, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1821,1822,1818,1819,1796,1797,
&end
#
# 112 ARG HG+ 112 ARG HN 4.50 (# 1416:10 Unique 1.94, 3.43 A)
&rst
ixpk= 1416, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1821,1822,
&end
#
# 0 AMB 10-2:1417 112 ARG HN 4.50 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=1876,1877,1878,1880,1881,1882, 411, 412, 413, 415,
416, 417, 411, 412, 413, 415, 416, 417,1208,1209,
1179,1180,1181,
&end
#
# 0 AMB 10-2:1418 112 ARG HN 4.50 (# 1418:10 Single Ambig)
&rst
ixpk= 1418, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,1211,
&end
#
# 113 ALA HN 112 ARG HN 3.50 (# 1419:10 Unique 2.56, 2.78 A)
&rst
ixpk= 1419, nxpk= 10, iat=1838,1814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1420 112 ARG HN 4.50 (# 1420:10 Single Ambig)
&rst
ixpk= 1420, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1824,1825,1824,1825,
&end
#
# 0 AMB 10-2:1421 112 ARG HN 5.50 (# 1421:10 Single Ambig)
&rst
ixpk= 1421, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1196,1197,1893,1894,1751,1752,
&end
#
# 110 GLU HB+ 112 ARG HN 4.50 (# 1422:10 Unique 2.93, 4.32 A)
&rst
ixpk= 1422, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1781,1782,
&end
#
# 111 LYS HG- 112 ARG HN 4.50 (# 1423:10 Unique 1.89, 2.88 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1799,1800,
&end
#
# 142 VAL HA 143 VAL HN 4.50 (# 1426:10 Unique 2.58, 3.56 A)
&rst
ixpk= 1426, nxpk= 10, iat=2268,2282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1428 0 AMB 10-1:1428 5.50 (# 1428:10 Double Ambig)
&rst
ixpk= 1428, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1997,1998,1852,1853, 455, 456,1560,1561,
igr2=1973,2232,
&end
#
# 0 AMB 10-2:1429 122 PHE HN 4.50 (# 1429:10 Single Ambig)
&rst
ixpk= 1429, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2000,1997,1998,1936,1937,1936,1937,
&end
#
# 124 ALA HN 122 PHE HN 4.50 (# 1430:10 Unique 3.89, 4.17 A)
&rst
ixpk= 1430, nxpk= 10, iat=2012,1973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 LEU HN 122 PHE HN 2.80 (# 1431:10 Unique 2.67, 2.74 A)
&rst
ixpk= 1431, nxpk= 10, iat=1993,1973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1432 122 PHE HN 2.80 (# 1432:10 Single Ambig)
&rst
ixpk= 1432, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1981,1989,1954,
&end
#
# 118 MET HA 122 PHE HN 4.50 (# 1433:10 Unique 3.51, 4.07 A)
&rst
ixpk= 1433, nxpk= 10, iat=1917,1973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 PHE HA 122 PHE HN 2.80 (# 1434:10 Unique 2.73, 2.76 A)
&rst
ixpk= 1434, nxpk= 10, iat=1975,1973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1435 122 PHE HN 2.80 (# 1435:10 Single Ambig)
&rst
ixpk= 1435, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1977,1978,1977,1978,
&end
#
# 0 AMB 10-2:1436 122 PHE HN 5.50 (# 1436:10 Single Ambig)
&rst
ixpk= 1436, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1997,1998,1852,1853, 455, 456,
&end
#
# 121 LEU HB- 122 PHE HN 3.50 (# 1437:10 Unique 3.25, 3.89 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1958,1959,
&end
#
# 121 LEU HG 122 PHE HN 2.80 (# 1438:10 Unique 2.13, 2.43 A)
&rst
ixpk= 1438, nxpk= 10, iat=1961,1973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 121 LEU MDX 122 PHE HN 3.50 (# 1439:10 Unique 3.61, 4.62 A)
&rst
ixpk= 1439, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 0 AMB 10-2:1441 123 LEU HN 5.50 (# 1441:10 Single Ambig)
&rst
ixpk= 1441, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1939,1940,1939,1940,2270,
&end
#
# 0 AMB 10-2:1442 123 LEU HN 5.50 (# 1442:10 Single Ambig)
&rst
ixpk= 1442, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=2028,2029,2030,2032,2033,2034,1627,1628,1629,1631,
1632,1633,1627,1628,1629,1631,1632,1633,2272,2273,
2274,2276,2277,2278,
&end
#
# 124 ALA HN 123 LEU HN 3.50 (# 1443:10 Unique 2.11, 2.37 A)
&rst
ixpk= 1443, nxpk= 10, iat=2012,1993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1444 123 LEU HN 3.50 (# 1444:10 Single Ambig)
&rst
ixpk= 1444, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1973,2022,
&end
#
# 0 AMB 10-2:1445 123 LEU HN 4.50 (# 1445:10 Single Ambig)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1954,1981,1989,
&end
#
# 0 AMB 10-2:1446 123 LEU HN 2.80 (# 1446:10 Single Ambig)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1995,1975,
&end
#
# 0 AMB 10-2:1447 123 LEU HN 4.50 (# 1447:10 Single Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1949,1950,1949,1950,
&end
#
# 0 AMB 10-2:1448 123 LEU HN 2.80 (# 1448:10 Single Ambig)
&rst
ixpk= 1448, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1977,1978,1977,1978,
&end
#
# 0 AMB 10-2:1449 123 LEU HN 2.80 (# 1449:10 Single Ambig)
&rst
ixpk= 1449, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2000,1997,1998,
&end
#
# 123 LEU HB- 123 LEU HN 3.50 (# 1450:10 Unique 2.14, 2.92 A)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1997,1998,
&end
#
# 0 AMB 10-2:1451 123 LEU HN 5.50 (# 1451:10 Single Ambig)
&rst
ixpk= 1451, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2016,2017,2018,1958,1959,
&end
#
# 0 AMB 10-2:1452 123 LEU HN 2.80 (# 1452:10 Single Ambig)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,1961,
&end
#
# 76 TYR HN 72 SER HN 5.50 (# 1453:10 Unique 4.41, 5.00 A)
&rst
ixpk= 1453, nxpk= 10, iat=1223,1162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1454 72 SER HN 4.50 (# 1454:10 Single Ambig)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1244,1173,
&end
#
# 75 LEU HN 72 SER HN 4.50 (# 1455:10 Unique 2.61, 2.95 A)
&rst
ixpk= 1455, nxpk= 10, iat=1204,1162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 SER HA 72 SER HN 2.80 (# 1456:10 Unique 2.22, 2.27 A)
&rst
ixpk= 1456, nxpk= 10, iat=1153,1162, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 TYR HA 72 SER HN 3.50 (# 1457:10 Unique 2.80, 3.46 A)
&rst
ixpk= 1457, nxpk= 10, iat=1225,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 SER HA 72 SER HN 3.50 (# 1458:10 Unique 2.80, 2.89 A)
&rst
ixpk= 1458, nxpk= 10, iat=1164,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1459 72 SER HN 2.80 (# 1459:10 Single Ambig)
&rst
ixpk= 1459, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1155,1156,1155,1156,
&end
#
# 75 LEU HB+ 72 SER HN 4.50 (# 1460:10 Unique 3.51, 4.87 A)
&rst
ixpk= 1460, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 0 AMB 10-2:1461 72 SER HN 3.50 (# 1461:10 Single Ambig)
&rst
ixpk= 1461, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1252,1260, 342, 343,
&end
#
# 72 SER HB- 72 SER HN 4.50 (# 1462:10 Unique 2.27, 3.20 A)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1166,1167,
&end
#
# 72 SER HB+ 72 SER HN 3.50 (# 1463:10 Unique 2.27, 3.20 A)
&rst
ixpk= 1463, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1166,1167,
&end
#
# 0 AMB 10-2:1464 72 SER HN 4.50 (# 1464:10 Single Ambig)
&rst
ixpk= 1464, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1139,1140,1136,1137,1186,1187,1188,
&end
#
# 0 AMB 10-2:1465 72 SER HN 4.50 (# 1465:10 Single Ambig)
&rst
ixpk= 1465, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1139,1140,1213,1214,1215,1217,1218,1219,
&end
#
# 124 ALA MB 143 VAL HN 5.50 (# 1467:10 Unique 4.95, 6.30 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2016,2017,2018,
&end
#
# 119 GLU HA 122 PHE HN 3.50 (# 1470:10 Unique 3.06, 3.37 A)
&rst
ixpk= 1470, nxpk= 10, iat=1934,1973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1471 122 PHE HN 4.50 (# 1471:10 Single Ambig)
&rst
ixpk= 1471, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1949,1950,1949,1950,
&end
#
# 0 AMB 10-2:1472 122 PHE HN 3.50 (# 1472:10 Single Ambig)
&rst
ixpk= 1472, nxpk= 10, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1958,1959,1926,1927,1928,
&end
#
# 119 GLU HA 123 LEU HN 4.50 (# 1475:10 Unique 4.17, 4.44 A)
&rst
ixpk= 1475, nxpk= 10, iat=1934,1993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 GLU HG- 127 GLU HN 4.50 (# 1476:10 Unique 1.96, 3.59 A)
&rst
ixpk= 1476, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2057,2058,
&end
#
# 0 AMB 10-2:1477 127 GLU HN 4.50 (# 1477:10 Single Ambig)
&rst
ixpk= 1477, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2069,2088,
&end
#
# 0 AMB 10-2:1478 127 GLU HN 5.50 (# 1478:10 Single Ambig)
&rst
ixpk= 1478, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2028,2029,2030,2032,2033,2034,2071,2072,2073,
&end
#
# 129 VAL HN 127 GLU HN 5.50 (# 1479:10 Unique 2.77, 3.81 A)
&rst
ixpk= 1479, nxpk= 10, iat=2084,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ALA HA 127 GLU HN 4.50 (# 1480:10 Unique 3.18, 3.64 A)
&rst
ixpk= 1480, nxpk= 10, iat=2014,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1481 72 SER HN 5.50 (# 1481:10 Single Ambig)
&rst
ixpk= 1481, nxpk= 10, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1183,1184,1133,1134,
&end
#
# 141 GLN HN 140 GLN HN 2.80 (# 1483:10 Unique 2.34, 2.74 A)
&rst
ixpk= 1483, nxpk= 10, iat=2249,2232, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 PRO HD- 140 GLN HN 3.50 (# 1484:10 Unique 2.31, 3.29 A)
&rst
ixpk= 1484, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2219,2220,
&end
#
# 0 AMB 10-2:1485 140 GLN HN 2.80 (# 1485:10 Single Ambig)
&rst
ixpk= 1485, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2219,2220,2234,
&end
#
# 138 ASP HB+ 140 GLN HN 5.50 (# 1486:10 Unique 3.55, 5.09 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2210,2211,
&end
#
# 140 GLN HG+ 140 GLN HN 4.50 (# 1487:10 Unique 1.91, 2.59 A)
&rst
ixpk= 1487, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2239,2240,
&end
#
# 0 AMB 10-2:1488 140 GLN HN 2.80 (# 1488:10 Single Ambig)
&rst
ixpk= 1488, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2239,2240,2222,2223,
&end
#
# 0 AMB 10-2:1489 140 GLN HN 2.80 (# 1489:10 Single Ambig)
&rst
ixpk= 1489, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2236,2237,2222,2223,
&end
#
# 0 AMB 10-2:1490 140 GLN HN 5.50 (# 1490:10 Single Ambig)
&rst
ixpk= 1490, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2272,2273,2274,2276,2277,2278,2272,2273,2274,2276,
2277,2278,
&end
#
# 99 ASP HB+ 140 GLN HN 5.50 (# 1491:10 Unique 3.71, 5.54 A)
&rst
ixpk= 1491, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1599,1600,
&end
#
# 126 ASP HA 127 GLU HN 4.50 (# 1492:10 Unique 2.73, 3.40 A)
&rst
ixpk= 1492, nxpk= 10, iat=2040,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1493 127 GLU HN 4.50 (# 1493:10 Single Ambig)
&rst
ixpk= 1493, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2075,2076,2075,2076,2002,2003,2004,2006,2007,2008,
2002,2003,2004,2006,2007,2008,
&end
#
# 126 ASP HN 127 GLU HN 4.50 (# 1494:10 Unique 2.56, 2.80 A)
&rst
ixpk= 1494, nxpk= 10, iat=2038,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 GLU HA 127 GLU HN 4.50 (# 1495:10 Unique 2.77, 2.86 A)
&rst
ixpk= 1495, nxpk= 10, iat=2052,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1496 127 GLU HN 4.50 (# 1496:10 Single Ambig)
&rst
ixpk= 1496, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2042,2043,2042,2043,
&end
#
# 0 AMB 10-2:1497 127 GLU HN 2.80 (# 1497:10 Single Ambig)
&rst
ixpk= 1497, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2057,2058,2054,2055,2054,2055,
&end
#
# 0 AMB 10-2:1498 127 GLU HN 3.50 (# 1498:10 Single Ambig)
&rst
ixpk= 1498, nxpk= 10, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2272,2273,2274,2276,2277,2278,2090,2091,2092,2094,
2095,2096,2078,2079,2080,2170,2171,2172,2174,2175,
2176,
&end
#
# 139 PRO HB- 140 GLN HN 4.50 (# 1500:10 Unique 1.94, 3.21 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2225,2226,
&end
#
# 138 ASP HA 140 GLN HN 5.50 (# 1501:10 Unique 3.51, 4.55 A)
&rst
ixpk= 1501, nxpk= 10, iat=2208,2232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 VAL HN 78 TYR HN 4.50 (# 1502:10 Unique 3.76, 4.27 A)
&rst
ixpk= 1502, nxpk= 10, iat=1285,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1503 78 TYR HN 5.50 (# 1503:10 Single Ambig)
&rst
ixpk= 1503, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1112,1113, 425, 426,
&end
#
# 0 AMB 10-2:1504 78 TYR HN 4.50 (# 1504:10 Single Ambig)
&rst
ixpk= 1504, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 268, 269, 271,1516,1517,
&end
#
# 143 VAL MGY 140 GLN HN 5.50 (# 1505:10 Unique 4.49, 6.78 A)
&rst
ixpk= 1505, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2288,2289,2290,2292,2293,2294,
&end
#
# 0 AMB 10-2:1506 116 GLU HN 5.50 (# 1506:10 Single Ambig)
&rst
ixpk= 1506, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1905,1906,1805,1806,
&end
#
# 0 AMB 10-2:1507 78 TYR HN 5.50 (# 1507:10 Single Ambig)
&rst
ixpk= 1507, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1287,1225, 443,
&end
#
# 0 AMB 10-2:1508 78 TYR HN 3.50 (# 1508:10 Single Ambig)
&rst
ixpk= 1508, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 264,1244,
&end
#
# 77 PHE HD 78 TYR HN 4.50 (# 1509:10 Unique 2.93, 4.84 A)
&rst
ixpk= 1509, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1252,1260,
&end
#
# 78 TYR HD 78 TYR HN 3.50 (# 1510:10 Unique 2.18, 4.07 A)
&rst
ixpk= 1510, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1272,1281,
&end
#
# 78 TYR HA 78 TYR HN 4.50 (# 1512:10 Unique 2.86, 2.92 A)
&rst
ixpk= 1512, nxpk= 10, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 PHE HA 78 TYR HN 2.80 (# 1513:10 Unique 2.20, 2.35 A)
&rst
ixpk= 1513, nxpk= 10, iat=1246,1264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 PHE HB+ 78 TYR HN 4.50 (# 1514:10 Unique 2.05, 3.58 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1248,1249,
&end
#
# 0 AMB 10-2:1515 78 TYR HN 3.50 (# 1515:10 Single Ambig)
&rst
ixpk= 1515, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1248,1249,1268,1269,
&end
#
# 0 AMB 10-2:1516 78 TYR HN 4.50 (# 1516:10 Single Ambig)
&rst
ixpk= 1516, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 268, 269, 255, 256,
&end
#
# 18 ILE HG1+ 78 TYR HN 4.50 (# 1517:10 Unique 2.43, 4.02 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 293, 294,
&end
#
# 0 AMB 10-2:1518 78 TYR HN 3.50 (# 1518:10 Single Ambig)
&rst
ixpk= 1518, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 251, 252, 253,1291,1292,1293,1295,1296,1297,1314,
1315,1316,1082,1083,1084,1086,1087,1088,
&end
#
# 18 ILE QG2 78 TYR HN 5.50 (# 1519:10 Unique 4.35, 5.50 A)
&rst
ixpk= 1519, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 78 TYR HB+ 78 TYR HN 3.50 (# 1520:10 Unique 2.14, 3.06 A)
&rst
ixpk= 1520, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1268,1269,
&end
#
# 0 AMB 10-2:1521 78 TYR HN 3.50 (# 1521:10 Single Ambig)
&rst
ixpk= 1521, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 293, 294,1521,1522,1523,1525,1526,1527,
&end
#
# 117 ASN HD2- 116 GLU HN 5.50 (# 1522:10 Unique 3.60, 4.39 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1910,1911,
&end
#
# 113 ALA HN 116 GLU HN 7.00 (# 1523:10 Unique 4.48, 4.68 A)
&rst
ixpk= 1523, nxpk= 10, iat=1838,1886, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 115 LEU HN 116 GLU HN 2.80 (# 1524:10 Unique 2.05, 2.55 A)
&rst
ixpk= 1524, nxpk= 10, iat=1867,1886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 ASN HN 116 GLU HN 2.80 (# 1525:10 Unique 2.08, 2.45 A)
&rst
ixpk= 1525, nxpk= 10, iat=1901,1886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 ASN HD2- 116 GLU HN 4.50 (# 1526:10 Unique 3.60, 4.39 A)
&rst
ixpk= 1526, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1910,1911,
&end
#
# 0 AMB 10-2:1527 116 GLU HN 2.80 (# 1527:10 Single Ambig)
&rst
ixpk= 1527, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1888,1840,
&end
#
# 115 LEU HA 116 GLU HN 3.50 (# 1528:10 Unique 3.35, 3.51 A)
&rst
ixpk= 1528, nxpk= 10, iat=1869,1886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1529 116 GLU HN 5.50 (# 1529:10 Single Ambig)
&rst
ixpk= 1529, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1850,1816,
&end
#
# 116 GLU HG+ 116 GLU HN 2.80 (# 1530:10 Unique 1.89, 2.73 A)
&rst
ixpk= 1530, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1893,1894,
&end
#
# 116 GLU HG- 116 GLU HN 2.80 (# 1531:10 Unique 1.89, 2.73 A)
&rst
ixpk= 1531, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1893,1894,
&end
#
# 116 GLU HB- 116 GLU HN 2.80 (# 1532:10 Unique 2.19, 3.02 A)
&rst
ixpk= 1532, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1890,1891,
&end
#
# 115 LEU HG 116 GLU HN 5.50 (# 1533:10 Unique 2.00, 2.87 A)
&rst
ixpk= 1533, nxpk= 10, iat=1874,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1534 116 GLU HN 3.50 (# 1534:10 Single Ambig)
&rst
ixpk= 1534, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1871,1872,1842,1843,1844,
&end
#
# 0 AMB 10-2:1535 116 GLU HN 3.50 (# 1535:10 Single Ambig)
&rst
ixpk= 1535, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
&end
#
# 0 AMB 10-2:1536 116 GLU HN 4.50 (# 1536:10 Single Ambig)
&rst
ixpk= 1536, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1857,1858,1859,1861,1862,1863,
&end
#
# 117 ASN HA 116 GLU HN 5.50 (# 1537:10 Unique 4.73, 5.03 A)
&rst
ixpk= 1537, nxpk= 10, iat=1903,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 THR HN 51 LYS HN 3.50 (# 1539:10 Unique 1.88, 2.82 A)
&rst
ixpk= 1539, nxpk= 10, iat= 847, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 ASN HA 51 LYS HN 4.50 (# 1540:10 Unique 3.06, 4.11 A)
&rst
ixpk= 1540, nxpk= 10, iat= 760, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ILE HA 51 LYS HN 4.50 (# 1541:10 Unique 3.39, 3.85 A)
&rst
ixpk= 1541, nxpk= 10, iat= 774, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1542 51 LYS HN 3.50 (# 1542:10 Single Ambig)
&rst
ixpk= 1542, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 815, 816, 838, 839,
&end
#
# 51 LYS HB+ 51 LYS HN 2.80 (# 1543:10 Unique 2.03, 2.74 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 829, 830,
&end
#
# 51 LYS HB- 51 LYS HN 2.80 (# 1544:10 Unique 2.03, 2.74 A)
&rst
ixpk= 1544, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 829, 830,
&end
#
# 0 AMB 10-2:1545 51 LYS HN 2.80 (# 1545:10 Single Ambig)
&rst
ixpk= 1545, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 832, 833, 832, 833,
&end
#
# 62 LEU MDY 51 LYS HN 5.50 (# 1546:10 Unique 3.10, 5.49 A)
&rst
ixpk= 1546, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 50 ASN HN 51 LYS HN 3.50 (# 1547:10 Unique 2.19, 2.76 A)
&rst
ixpk= 1547, nxpk= 10, iat= 811, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1549 51 LYS HN 2.80 (# 1549:10 Single Ambig)
&rst
ixpk= 1549, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 827, 813,
&end
#
# 0 AMB 10-2:1550 51 LYS HN 3.50 (# 1550:10 Single Ambig)
&rst
ixpk= 1550, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 815, 816, 762, 763,
&end
#
# 52 THR MG2 51 LYS HN 4.50 (# 1551:10 Unique 2.52, 5.03 A)
&rst
ixpk= 1551, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 853, 854, 855,
&end
#
# 0 AMB 10-2:1552 115 LEU HN 4.50 (# 1552:10 Single Ambig)
&rst
ixpk= 1552, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1901,1915,
&end
#
# 116 GLU HN 115 LEU HN 4.50 (# 1553:10 Unique 2.05, 2.55 A)
&rst
ixpk= 1553, nxpk= 10, iat=1886,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ALA HN 115 LEU HN 4.50 (# 1554:10 Unique 3.42, 4.08 A)
&rst
ixpk= 1554, nxpk= 10, iat=1838,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1555 115 LEU HN 4.50 (# 1555:10 Single Ambig)
&rst
ixpk= 1555, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1840,1888,
&end
#
# 115 LEU HA 115 LEU HN 3.50 (# 1556:10 Unique 2.70, 2.81 A)
&rst
ixpk= 1556, nxpk= 10, iat=1869,1867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1557 115 LEU HN 3.50 (# 1557:10 Single Ambig)
&rst
ixpk= 1557, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1816,1850,
&end
#
# 111 LYS HA 115 LEU HN 4.50 (# 1558:10 Unique 3.79, 4.25 A)
&rst
ixpk= 1558, nxpk= 10, iat=1794,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLU HG- 115 LEU HN 5.50 (# 1559:10 Unique 3.17, 4.50 A)
&rst
ixpk= 1559, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1893,1894,
&end
#
# 115 LEU HB+ 115 LEU HN 2.80 (# 1560:10 Unique 1.98, 2.67 A)
&rst
ixpk= 1560, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1871,1872,
&end
#
# 115 LEU HB- 115 LEU HN 2.80 (# 1561:10 Unique 1.98, 2.67 A)
&rst
ixpk= 1561, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1871,1872,
&end
#
# 0 AMB 10-2:1562 115 LEU HN 3.50 (# 1562:10 Single Ambig)
&rst
ixpk= 1562, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1857,1858,1859,1861,1862,1863, 411, 412, 413, 415,
416, 417, 411, 412, 413, 415, 416, 417,1876,1877,
1878,1880,1881,1882,1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 10-2:1563 115 LEU HN 4.50 (# 1563:10 Single Ambig)
&rst
ixpk= 1563, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1890,1891,1926,1927,1928,1796,1797,1765,
&end
#
# 0 AMB 10-2:1564 125 VAL HN 4.50 (# 1564:10 Single Ambig)
&rst
ixpk= 1564, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2065,
&end
#
# 124 ALA HN 125 VAL HN 3.50 (# 1565:10 Unique 2.49, 2.85 A)
&rst
ixpk= 1565, nxpk= 10, iat=2012,2022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 LEU HN 125 VAL HN 4.50 (# 1566:10 Unique 3.80, 4.09 A)
&rst
ixpk= 1566, nxpk= 10, iat=1993,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ALA HA 125 VAL HN 4.50 (# 1567:10 Unique 3.60, 3.63 A)
&rst
ixpk= 1567, nxpk= 10, iat=2014,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 VAL HA 125 VAL HN 3.50 (# 1568:10 Unique 2.71, 2.77 A)
&rst
ixpk= 1568, nxpk= 10, iat=2024,2022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1569 125 VAL HN 5.50 (# 1569:10 Single Ambig)
&rst
ixpk= 1569, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2042,2043,2042,2043,
&end
#
# 125 VAL HB 125 VAL HN 2.80 (# 1570:10 Unique 1.98, 2.20 A)
&rst
ixpk= 1570, nxpk= 10, iat=2026,2022, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1572 125 VAL HN 5.50 (# 1572:10 Single Ambig)
&rst
ixpk= 1572, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1560,1561,1997,1998,
&end
#
# 124 ALA MB 125 VAL HN 2.80 (# 1573:10 Unique 2.15, 3.28 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2016,2017,2018,
&end
#
# 125 VAL MGY 125 VAL HN 2.80 (# 1574:10 Unique 1.96, 3.83 A)
&rst
ixpk= 1574, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2028,2029,2030,2032,2033,2034,
&end
#
# 49 PHE HD 51 LYS HN 5.50 (# 1575:10 Unique 4.22, 6.20 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 799, 807,
&end
#
# 62 LEU MDX 51 LYS HN 4.50 (# 1576:10 Unique 3.10, 5.49 A)
&rst
ixpk= 1576, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 53 HIS HN 51 LYS HN 5.50 (# 1577:10 Unique 3.33, 3.93 A)
&rst
ixpk= 1577, nxpk= 10, iat= 861, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ASP HA 125 VAL HN 7.00 (# 1579:10 Unique 5.06, 5.21 A)
&rst
ixpk= 1579, nxpk= 10, iat=2040,2022, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1580 125 VAL HN 4.50 (# 1580:10 Single Ambig)
&rst
ixpk= 1580, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1975,1995,
&end
#
# 121 LEU HA 125 VAL HN 4.50 (# 1581:10 Unique 3.10, 3.58 A)
&rst
ixpk= 1581, nxpk= 10, iat=1956,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1582 125 VAL HN 3.50 (# 1582:10 Single Ambig)
&rst
ixpk= 1582, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1565,1566,1567,1569,1570,1571,2075,2076,2075,2076,
1961,2002,2003,2004,2006,2007,2008,
&end
#
# 126 ASP HN 125 VAL HN 3.50 (# 1583:10 Unique 2.54, 2.72 A)
&rst
ixpk= 1583, nxpk= 10, iat=2038,2022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1584 125 VAL HN 4.50 (# 1584:10 Single Ambig)
&rst
ixpk= 1584, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2069,1676,1677,1678,1625,
&end
#
# 121 LEU MDY 125 VAL HN 4.50 (# 1585:10 Unique 2.93, 5.63 A)
&rst
ixpk= 1585, nxpk= 10, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1963,1964,1965,1967,1968,1969,
&end
#
# 95 ASN HD2+ 95 ASN HN 4.50 (# 1587:10 Unique 2.43, 3.67 A)
&rst
ixpk= 1587, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1540,1541,
&end
#
# 0 AMB 10-2:1588 95 ASN HN 5.50 (# 1588:10 Single Ambig)
&rst
ixpk= 1588, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1547,2199,2200,
&end
#
# 96 CYS HB+ 95 ASN HN 5.50 (# 1589:10 Unique 4.03, 5.01 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1549,1550,
&end
#
# 0 AMB 10-2:1590 95 ASN HN 4.50 (# 1590:10 Single Ambig)
&rst
ixpk= 1590, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1502,1503,1504,1506,1507,1508,1291,1292,
1293,1295,1296,1297,1136,1137,
&end
#
# 94 LEU MDY 95 ASN HN 4.50 (# 1591:10 Unique 2.06, 4.62 A)
&rst
ixpk= 1591, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 96 CYS HN 95 ASN HN 3.50 (# 1592:10 Unique 2.54, 2.85 A)
&rst
ixpk= 1592, nxpk= 10, iat=1545,1531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 LEU HN 95 ASN HN 3.50 (# 1593:10 Unique 2.72, 3.06 A)
&rst
ixpk= 1593, nxpk= 10, iat=1512,1531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 VAL HN 95 ASN HN 5.50 (# 1594:10 Unique 3.76, 4.54 A)
&rst
ixpk= 1594, nxpk= 10, iat=1496,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASN HA 95 ASN HN 3.50 (# 1595:10 Unique 2.64, 2.77 A)
&rst
ixpk= 1595, nxpk= 10, iat=1533,1531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1596 95 ASN HN 3.50 (# 1596:10 Single Ambig)
&rst
ixpk= 1596, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1488,1471,
&end
#
# 94 LEU HA 95 ASN HN 4.50 (# 1597:10 Unique 3.61, 3.63 A)
&rst
ixpk= 1597, nxpk= 10, iat=1514,1531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1598 95 ASN HN 5.50 (# 1598:10 Single Ambig)
&rst
ixpk= 1598, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1549,1550,1579,1580,
&end
#
# 0 AMB 10-2:1599 95 ASN HN 2.80 (# 1599:10 Single Ambig)
&rst
ixpk= 1599, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1535,1536,1535,1536,
&end
#
# 0 AMB 10-2:1600 95 ASN HN 5.50 (# 1600:10 Single Ambig)
&rst
ixpk= 1600, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1579,1580,1500,1096,
&end
#
# 94 LEU HB+ 95 ASN HN 3.50 (# 1601:10 Unique 1.92, 3.20 A)
&rst
ixpk= 1601, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1516,1517,
&end
#
# 0 AMB 10-2:1602 95 ASN HN 5.50 (# 1602:10 Single Ambig)
&rst
ixpk= 1602, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1490,1491,1492,1133,1134, 964, 965,
&end
#
# 94 LEU HB- 95 ASN HN 4.50 (# 1603:10 Unique 1.92, 3.20 A)
&rst
ixpk= 1603, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1516,1517,
&end
#
# 94 LEU HG 95 ASN HN 5.50 (# 1604:10 Unique 2.11, 3.23 A)
&rst
ixpk= 1604, nxpk= 10, iat=1519,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LEU MDX 95 ASN HN 4.50 (# 1605:10 Unique 2.06, 4.62 A)
&rst
ixpk= 1605, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1521,1522,1523,1525,1526,1527,
&end
#
# 95 ASN HD2- 95 ASN HN 4.50 (# 1606:10 Unique 2.43, 3.67 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1540,1541,
&end
#
# 0 AMB 10-2:1610 81 GLY HN 2.80 (# 1610:10 Single Ambig)
&rst
ixpk= 1610, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1322,1323,1078,
&end
#
# 81 GLY HA- 81 GLY HN 3.50 (# 1611:10 Unique 2.38, 2.75 A)
&rst
ixpk= 1611, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1322,1323,
&end
#
# 80 ILE HN 81 GLY HN 7.00 (# 1613:10 Unique 4.42, 4.59 A)
&rst
ixpk= 1613, nxpk= 10, iat=1301,1320, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1614 81 GLY HN 4.50 (# 1614:10 Single Ambig)
&rst
ixpk= 1614, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1062,1338,
&end
#
# 80 ILE HA 81 GLY HN 2.80 (# 1615:10 Unique 2.18, 2.25 A)
&rst
ixpk= 1615, nxpk= 10, iat=1303,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1616 81 GLY HN 3.50 (# 1616:10 Single Ambig)
&rst
ixpk= 1616, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 217, 218, 223, 224, 223, 224,1047,1048,1311,1312,
220, 221,
&end
#
# 80 ILE QG2 81 GLY HN 2.80 (# 1617:10 Unique 1.97, 3.30 A)
&rst
ixpk= 1617, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1307,1308,1309,
&end
#
# 0 AMB 10-2:1618 81 GLY HN 2.80 (# 1618:10 Single Ambig)
&rst
ixpk= 1618, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1459,1460,1461,1463,1464,1465,1052,1053,1054,1056,
1057,1058,
&end
#
# 82 SER HN 81 GLY HN 5.50 (# 1619:10 Unique 2.22, 3.61 A)
&rst
ixpk= 1619, nxpk= 10, iat=1327,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ILE HG1- 75 LEU HN 5.50 (# 1620:10 Unique 5.06, 5.54 A)
&rst
ixpk= 1620, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1183,1184,
&end
#
# 0 AMB 10-2:1621 75 LEU HN 5.50 (# 1621:10 Single Ambig)
&rst
ixpk= 1621, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1173,1244,
&end
#
# 0 AMB 10-2:1622 75 LEU HN 3.50 (# 1622:10 Single Ambig)
&rst
ixpk= 1622, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1206,1153,
&end
#
# 74 ASP HA 75 LEU HN 3.50 (# 1623:10 Unique 2.94, 3.02 A)
&rst
ixpk= 1623, nxpk= 10, iat=1194,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ASP HB+ 75 LEU HN 4.50 (# 1624:10 Unique 3.98, 4.28 A)
&rst
ixpk= 1624, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 74 ASP HB- 75 LEU HN 4.50 (# 1625:10 Unique 3.98, 4.28 A)
&rst
ixpk= 1625, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 75 LEU HB+ 75 LEU HN 2.80 (# 1626:10 Unique 2.52, 3.01 A)
&rst
ixpk= 1626, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1208,1209,
&end
#
# 0 AMB 10-2:1627 75 LEU HN 2.80 (# 1627:10 Single Ambig)
&rst
ixpk= 1627, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1208,1209,1186,1187,1188,
&end
#
# 74 ASP HN 75 LEU HN 2.80 (# 1628:10 Unique 1.80, 1.85 A)
&rst
ixpk= 1628, nxpk= 10, iat=1192,1204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1629 75 LEU HN 4.50 (# 1629:10 Single Ambig)
&rst
ixpk= 1629, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1155,1156,1155,1156,1175,
&end
#
# 73 ILE HG1- 75 LEU HN 7.00 (# 1630:10 Unique 5.06, 5.54 A)
&rst
ixpk= 1630, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1183,1184,
&end
#
# 82 SER HN 81 GLY HN 5.50 (# 1631:10 Unique 2.22, 3.61 A)
&rst
ixpk= 1631, nxpk= 10, iat=1327,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1632 81 GLY HN 5.50 (# 1632:10 Single Ambig)
&rst
ixpk= 1632, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1064, 185,
&end
#
# 0 AMB 10-2:1633 81 GLY HN 4.50 (# 1633:10 Single Ambig)
&rst
ixpk= 1633, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1066,1342,1343,
&end
#
# 0 AMB 10-2:1634 81 GLY HN 4.50 (# 1634:10 Single Ambig)
&rst
ixpk= 1634, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1305,1047,1048,
&end
#
# 10 LEU HN 9 SER HN 4.50 (# 1636:10 Unique 1.87, 2.17 A)
&rst
ixpk= 1636, nxpk= 10, iat= 143, 132, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1638 9 SER HN 2.80 (# 1638:10 Single Ambig)
&rst
ixpk= 1638, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 134, 128,
&end
#
# 0 AMB 10-2:1639 9 SER HN 2.80 (# 1639:10 Single Ambig)
&rst
ixpk= 1639, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 136, 137, 136, 137,
&end
#
# 8 PRO HB- 9 SER HN 5.50 (# 1640:10 Unique 1.91, 2.82 A)
&rst
ixpk= 1640, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 125, 126,
&end
#
# 8 PRO HB+ 9 SER HN 4.50 (# 1641:10 Unique 1.91, 2.82 A)
&rst
ixpk= 1641, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 125, 126,
&end
#
# 0 AMB 10-2:1642 9 SER HN 5.50 (# 1642:10 Single Ambig)
&rst
ixpk= 1642, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 152, 153, 154, 156, 157, 158, 152, 153, 154, 156,
157, 158,
&end
#
# 111 LYS HN 75 LEU HN 5.50 (# 1643:10 Unique 3.78, 4.13 A)
&rst
ixpk= 1643, nxpk= 10, iat=1792,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1644 75 LEU HN 5.50 (# 1644:10 Single Ambig)
&rst
ixpk= 1644, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1164, 335,
&end
#
# 72 SER HB- 75 LEU HN 5.50 (# 1645:10 Unique 3.88, 5.06 A)
&rst
ixpk= 1645, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1166,1167,
&end
#
# 0 AMB 10-2:1646 75 LEU HN 5.50 (# 1646:10 Single Ambig)
&rst
ixpk= 1646, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1796,1797,1802,1803,1802,1803,
&end
#
# 0 AMB 10-2:1647 75 LEU HN 3.50 (# 1647:10 Single Ambig)
&rst
ixpk= 1647, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219,
&end
#
# 76 TYR HN 75 LEU HN 4.50 (# 1648:10 Unique 3.83, 4.21 A)
&rst
ixpk= 1648, nxpk= 10, iat=1223,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 SER HN 75 LEU HN 3.50 (# 1649:10 Unique 2.61, 2.95 A)
&rst
ixpk= 1649, nxpk= 10, iat=1162,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1650 75 LEU HN 5.50 (# 1650:10 Single Ambig)
&rst
ixpk= 1650, nxpk= 10, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 342, 343,1252,1260,
&end
#
# 73 ILE HB 75 LEU HN 4.50 (# 1651:10 Unique 3.25, 3.40 A)
&rst
ixpk= 1651, nxpk= 10, iat=1177,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1652 9 SER HN 5.50 (# 1652:10 Single Ambig)
&rst
ixpk= 1652, nxpk= 10, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 147, 148, 147, 148,
&end
#
# 82 SER HB- 82 SER HN 3.50 (# 1657:10 Unique 2.03, 3.37 A)
&rst
ixpk= 1657, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1331,1332,
&end
#
# 0 AMB 10-2:1658 82 SER HN 5.50 (# 1658:10 Single Ambig)
&rst
ixpk= 1658, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1068,1069,1070, 189, 190, 191,
&end
#
# 0 AMB 10-2:1660 82 SER HN 2.80 (# 1660:10 Single Ambig)
&rst
ixpk= 1660, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1331,1332,1322,1323,
&end
#
# 0 AMB 10-2:1661 82 SER HN 4.50 (# 1661:10 Single Ambig)
&rst
ixpk= 1661, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1444,1445,1446,1437,1438,1403,1404,
&end
#
# 0 AMB 10-2:1662 82 SER HN 4.50 (# 1662:10 Single Ambig)
&rst
ixpk= 1662, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 223, 224, 223, 224, 217, 218, 220, 221, 220, 221,
1047,1048,
&end
#
# 0 AMB 10-2:1663 82 SER HN 3.50 (# 1663:10 Single Ambig)
&rst
ixpk= 1663, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1459,1460,1461,1463,1464,1465,1459,1460,1461,1463,
1464,1465,
&end
#
# 81 GLY HN 82 SER HN 5.50 (# 1664:10 Unique 2.22, 3.61 A)
&rst
ixpk= 1664, nxpk= 10, iat=1320,1327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 MET HG+ 82 SER HN 5.50 (# 1665:10 Unique 2.63, 4.86 A)
&rst
ixpk= 1665, nxpk= 10, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1440,1441,
&end
#
# 136 GLU HN 137 SER HN 4.50 (# 1666:10 Unique 3.24, 4.20 A)
&rst
ixpk= 1666, nxpk= 10, iat=2180,2195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 GLU HA 137 SER HN 2.80 (# 1668:10 Unique 2.21, 2.40 A)
&rst
ixpk= 1668, nxpk= 10, iat=2182,2195, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 SER HB+ 137 SER HN 4.50 (# 1669:10 Unique 2.03, 3.28 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2199,2200,
&end
#
# 138 ASP HB+ 137 SER HN 4.50 (# 1670:10 Unique 3.55, 5.02 A)
&rst
ixpk= 1670, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2210,2211,
&end
#
# 138 ASP HB- 137 SER HN 4.50 (# 1671:10 Unique 3.55, 5.02 A)
&rst
ixpk= 1671, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2210,2211,
&end
#
# 0 AMB 10-2:1672 137 SER HN 2.80 (# 1672:10 Single Ambig)
&rst
ixpk= 1672, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2187,2188,2187,2188,
&end
#
# 0 AMB 10-2:1673 137 SER HN 5.50 (# 1673:10 Single Ambig)
&rst
ixpk= 1673, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2170,2171,2172,2174,2175,2176,2155,2156,2157,
&end
#
# 138 ASP HN 137 SER HN 2.80 (# 1674:10 Unique 2.28, 2.66 A)
&rst
ixpk= 1674, nxpk= 10, iat=2206,2195, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 ASP HA 137 SER HN 5.50 (# 1675:10 Unique 3.93, 4.49 A)
&rst
ixpk= 1675, nxpk= 10, iat=2208,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 SER HB- 137 SER HN 4.50 (# 1676:10 Unique 2.03, 3.28 A)
&rst
ixpk= 1676, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2199,2200,
&end
#
# 0 AMB 10-2:1677 137 SER HN 3.50 (# 1677:10 Single Ambig)
&rst
ixpk= 1677, nxpk= 10, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2184,2185,2184,2185,
&end
#
# 105 LEU HA 117 ASN HD2- 5.50 (# 1678:10 Unique 3.74, 5.13 A)
&rst
ixpk= 1678, nxpk= 10, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1680 0 AMB 10-1:1680 5.50 (# 1680:10 Double Ambig)
&rst
ixpk= 1680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1732,1733,1732,1733,1958,1959,
igr2=1910,1911,1910,1911,1910,1911,
&end
#
# 105 LEU HG 117 ASN HD2- 5.50 (# 1682:10 Unique 1.94, 3.93 A)
&rst
ixpk= 1682, nxpk= 10, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1910,1911,
&end
#
# 117 ASN HN 117 ASN HD2- 3.50 (# 1683:10 Unique 2.26, 3.09 A)
&rst
ixpk= 1683, nxpk= 10, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1910,1911,
&end
#
# 117 ASN HA 117 ASN HD2- 4.50 (# 1685:10 Unique 3.81, 4.49 A)
&rst
ixpk= 1685, nxpk= 10, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1686 117 ASN HD2- 5.50 (# 1686:10 Single Ambig)
&rst
ixpk= 1686, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1840,1888,
igr2=1910,1911,
&end
#
# 117 ASN HB+ 117 ASN HD2- 3.50 (# 1687:10 Unique 2.10, 3.27 A)
&rst
ixpk= 1687, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1905,1906,
igr2=1910,1911,
&end
#
# 116 GLU HG+ 117 ASN HD2- 5.50 (# 1688:10 Unique 2.43, 5.31 A)
&rst
ixpk= 1688, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1893,1894,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1689 117 ASN HD2- 2.80 (# 1689:10 Single Ambig)
&rst
ixpk= 1689, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1905,1906,1893,1894,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1690 117 ASN HD2- 4.50 (# 1690:10 Single Ambig)
&rst
ixpk= 1690, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1890,1891,1765,
igr2=1910,1911,
&end
#
# 113 ALA MB 117 ASN HD2- 4.50 (# 1691:10 Unique 2.53, 4.39 A)
&rst
ixpk= 1691, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1842,1843,1844,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1692 117 ASN HD2- 2.80 (# 1692:10 Single Ambig)
&rst
ixpk= 1692, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,1857,1858,
1859,1861,1862,1863,
igr2=1910,1911,
&end
#
# 117 ASN HN 117 ASN HD2+ 3.50 (# 1693:10 Unique 2.26, 3.09 A)
&rst
ixpk= 1693, nxpk= 10, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1910,1911,
&end
#
# 117 ASN HA 117 ASN HD2+ 4.50 (# 1695:10 Unique 3.81, 4.49 A)
&rst
ixpk= 1695, nxpk= 10, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1910,1911,
&end
#
# 105 LEU HA 117 ASN HD2+ 5.50 (# 1696:10 Unique 3.74, 5.13 A)
&rst
ixpk= 1696, nxpk= 10, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1910,1911,
&end
#
# 114 LEU HA 117 ASN HD2+ 4.50 (# 1697:10 Unique 1.92, 3.19 A)
&rst
ixpk= 1697, nxpk= 10, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1698 0 AMB 10-1:1698 5.50 (# 1698:10 Double Ambig)
&rst
ixpk= 1698, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
igr1=1639,1949,1950,1949,1950,1794,1641,1642,
igr2=1910,1911,1910,1911,1910,1911,1910,1911,1910,1911,
&end
#
# 117 ASN HB+ 117 ASN HD2+ 3.50 (# 1699:10 Unique 2.10, 3.27 A)
&rst
ixpk= 1699, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1905,1906,
igr2=1910,1911,
&end
#
# 116 GLU HG+ 117 ASN HD2+ 5.50 (# 1700:10 Unique 2.43, 5.31 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1893,1894,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1701 0 AMB 10-1:1701 2.80 (# 1701:10 Double Ambig)
&rst
ixpk= 1701, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1905,1906,1893,1894,
igr2=1910,1911,1910,1911,
&end
#
# 0 AMB 10-2:1702 0 AMB 10-1:1702 3.50 (# 1702:10 Double Ambig)
&rst
ixpk= 1702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1890,1891,1765,
igr2=1910,1911,1910,1911,
&end
#
# 113 ALA MB 117 ASN HD2+ 4.50 (# 1703:10 Unique 2.53, 4.39 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1842,1843,1844,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1704 0 AMB 10-1:1704 2.80 (# 1704:10 Double Ambig)
&rst
ixpk= 1704, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,1857,1858,
1859,1861,1862,1863,
igr2=1910,1911,1910,1911,1910,1911,1910,1911,
&end
#
# 0 AMB 10-2:1705 0 AMB 10-1:1705 4.50 (# 1705:10 Double Ambig)
&rst
ixpk= 1705, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1840,1888,
igr2=1910,1911,1910,1911,
&end
#
# 105 LEU HG 117 ASN HD2+ 4.50 (# 1706:10 Unique 1.94, 3.93 A)
&rst
ixpk= 1706, nxpk= 10, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1910,1911,
&end
#
# 114 LEU MDY 117 ASN HD2+ 5.50 (# 1707:10 Unique 2.86, 6.59 A)
&rst
ixpk= 1707, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1857,1858,1859,1861,1862,1863,
igr2=1910,1911,
&end
#
# 103 GLN HN 102 SER HN 3.50 (# 1708:10 Unique 2.44, 2.65 A)
&rst
ixpk= 1708, nxpk= 10, iat=1648,1637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1709 102 SER HN 3.50 (# 1709:10 Single Ambig)
&rst
ixpk= 1709, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1620,1609,
&end
#
# 0 AMB 10-2:1710 102 SER HN 2.80 (# 1710:10 Single Ambig)
&rst
ixpk= 1710, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1641,1642,1641,1642,
&end
#
# 0 AMB 10-2:1711 102 SER HN 5.50 (# 1711:10 Single Ambig)
&rst
ixpk= 1711, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1655,1656,1672,1673,
&end
#
# 103 GLN HG- 102 SER HN 5.50 (# 1712:10 Unique 2.81, 4.47 A)
&rst
ixpk= 1712, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1655,1656,
&end
#
# 0 AMB 10-2:1713 102 SER HN 5.50 (# 1713:10 Single Ambig)
&rst
ixpk= 1713, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1765,1652,1653,1652,1653,1669,1670,1669,1670,
&end
#
# 101 LEU HG 102 SER HN 4.50 (# 1714:10 Unique 2.17, 4.23 A)
&rst
ixpk= 1714, nxpk= 10, iat=1625,1637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 LEU HB+ 102 SER HN 3.50 (# 1715:10 Unique 2.76, 3.78 A)
&rst
ixpk= 1715, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1622,1623,
&end
#
# 101 LEU HB- 102 SER HN 3.50 (# 1716:10 Unique 2.76, 3.78 A)
&rst
ixpk= 1716, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1622,1623,
&end
#
# 109 VAL MGX 102 SER HN 3.50 (# 1717:10 Unique 3.14, 5.04 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 99 ASP HA 102 SER HN 4.50 (# 1719:10 Unique 2.96, 3.27 A)
&rst
ixpk= 1719, nxpk= 10, iat=1597,1637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1720 102 SER HN 2.80 (# 1720:10 Single Ambig)
&rst
ixpk= 1720, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1627,1628,1629,1631,1632,1633,1767,1768,1769,1771,
1772,1773,1691,1692,1693,1695,1696,1697,1691,1692,
1693,1695,1696,1697,
&end
#
# 114 LEU HA 117 ASN HD2- 4.50 (# 1721:10 Unique 1.92, 3.19 A)
&rst
ixpk= 1721, nxpk= 10, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1910,1911,
&end
#
# 0 AMB 10-2:1724 102 SER HN 4.50 (# 1724:10 Single Ambig)
&rst
ixpk= 1724, nxpk= 10, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1577,1763,
&end
#
# 105 LEU HN 106 ARG HN 2.80 (# 1726:10 Unique 2.08, 2.37 A)
&rst
ixpk= 1726, nxpk= 10, iat=1682,1701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 105 LEU HA 106 ARG HN 3.50 (# 1727:10 Unique 2.93, 3.47 A)
&rst
ixpk= 1727, nxpk= 10, iat=1684,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1728 106 ARG HN 4.50 (# 1728:10 Single Ambig)
&rst
ixpk= 1728, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1650,1667,
&end
#
# 106 ARG HA 106 ARG HN 2.80 (# 1729:10 Unique 2.16, 2.21 A)
&rst
ixpk= 1729, nxpk= 10, iat=1703,1701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1730 106 ARG HN 4.50 (# 1730:10 Single Ambig)
&rst
ixpk= 1730, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1711,1712,1711,1712,
&end
#
# 106 ARG HB+ 106 ARG HN 3.50 (# 1731:10 Unique 2.58, 3.29 A)
&rst
ixpk= 1731, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1705,1706,
&end
#
# 106 ARG HB- 106 ARG HN 3.50 (# 1732:10 Unique 2.58, 3.29 A)
&rst
ixpk= 1732, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1705,1706,
&end
#
# 0 AMB 10-2:1733 106 ARG HN 3.50 (# 1733:10 Single Ambig)
&rst
ixpk= 1733, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1691,1692,1693,1695,1696,1697,1691,1692,1693,1695,
1696,1697,1767,1768,1769,1771,1772,1773,
&end
#
# 0 AMB 10-2:1734 106 ARG HN 4.50 (# 1734:10 Single Ambig)
&rst
ixpk= 1734, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1732,1733,1732,1733,
&end
#
# 109 VAL MGX 106 ARG HN 7.00 (# 1736:10 Unique 3.05, 6.39 A)
&rst
ixpk= 1736, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 59 ILE HN 57 SER HN 5.50 (# 1738:10 Unique 3.87, 4.52 A)
&rst
ixpk= 1738, nxpk= 10, iat= 954, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ASP HN 57 SER HN 5.50 (# 1739:10 Unique 1.91, 2.55 A)
&rst
ixpk= 1739, nxpk= 10, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ASP HN 57 SER HN 7.00 (# 1740:10 Unique 1.91, 2.55 A)
&rst
ixpk= 1740, nxpk= 10, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 58 GLU HN 57 SER HN 4.50 (# 1741:10 Unique 2.93, 3.67 A)
&rst
ixpk= 1741, nxpk= 10, iat= 939, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HA 57 SER HN 2.80 (# 1743:10 Unique 2.17, 2.28 A)
&rst
ixpk= 1743, nxpk= 10, iat= 930, 928, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 THR HB 57 SER HN 4.50 (# 1744:10 Unique 2.26, 3.21 A)
&rst
ixpk= 1744, nxpk= 10, iat= 906, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1745 57 SER HN 3.50 (# 1745:10 Single Ambig)
&rst
ixpk= 1745, nxpk= 10, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 932, 933, 932, 933,
&end
#
# 0 AMB 10-2:1746 57 SER HN 3.50 (# 1746:10 Single Ambig)
&rst
ixpk= 1746, nxpk= 10, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 920, 921, 920, 921,
&end
#
# 0 AMB 10-2:1747 57 SER HN 5.50 (# 1747:10 Single Ambig)
&rst
ixpk= 1747, nxpk= 10, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 946, 947, 946, 947,
&end
#
# 55 THR MG2 57 SER HN 4.50 (# 1748:10 Unique 1.94, 3.46 A)
&rst
ixpk= 1748, nxpk= 10, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 908, 909, 910,
&end
#
# 69 TYR HD 57 SER HN 7.00 (# 1749:10 Unique 3.24, 6.00 A)
&rst
ixpk= 1749, nxpk= 10, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1116,1125,
&end
#
# 0 AMB 10-2:1751 37 SER HN 4.50 (# 1751:10 Single Ambig)
&rst
ixpk= 1751, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 664, 665, 561, 570,
&end
#
# 37 SER HB+ 37 SER HN 2.80 (# 1752:10 Unique 2.04, 2.73 A)
&rst
ixpk= 1752, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 592, 593,
&end
#
# 36 PRO HD- 37 SER HN 2.80 (# 1753:10 Unique 2.26, 3.06 A)
&rst
ixpk= 1753, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 575, 576,
&end
#
# 38 VAL MGY 37 SER HN 5.50 (# 1754:10 Unique 4.94, 7.65 A)
&rst
ixpk= 1754, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 605, 606, 607, 609, 610, 611,
&end
#
# 0 AMB 10-2:1755 37 SER HN 5.50 (# 1755:10 Single Ambig)
&rst
ixpk= 1755, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 660, 659, 660,
&end
#
# 0 AMB 10-2:1757 37 SER HN 4.50 (# 1757:10 Single Ambig)
&rst
ixpk= 1757, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 644, 645, 557, 558,
&end
#
# 0 AMB 10-2:1758 37 SER HN 2.80 (# 1758:10 Single Ambig)
&rst
ixpk= 1758, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 578, 579, 578, 579, 581, 582,
&end
#
# 41 GLN HB+ 37 SER HN 5.50 (# 1759:10 Unique 4.68, 5.90 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 656, 657,
&end
#
# 40 GLU HN 37 SER HN 5.50 (# 1760:10 Unique 3.87, 4.54 A)
&rst
ixpk= 1760, nxpk= 10, iat= 637, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 SER HB- 37 SER HN 3.50 (# 1761:10 Unique 2.04, 2.73 A)
&rst
ixpk= 1761, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 592, 593,
&end
#
# 0 AMB 10-2:1762 37 SER HN 5.50 (# 1762:10 Single Ambig)
&rst
ixpk= 1762, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 656, 657, 619, 620, 676, 677, 461, 462, 461, 462,
&end
#
# 0 AMB 10-2:1763 37 SER HN 4.50 (# 1763:10 Single Ambig)
&rst
ixpk= 1763, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 652, 615, 527,
&end
#
# 74 ASP HB+ 21 ASN HN 7.00 (# 1765:10 Unique 3.19, 5.10 A)
&rst
ixpk= 1765, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1196,1197,
&end
#
# 20 ASP HN 21 ASN HN 5.50 (# 1766:10 Unique 2.99, 4.23 A)
&rst
ixpk= 1766, nxpk= 10, iat= 321, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 TYR HD 21 ASN HN 5.50 (# 1767:10 Unique 3.08, 6.00 A)
&rst
ixpk= 1767, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1231,1240,
&end
#
# 20 ASP HA 21 ASN HN 3.50 (# 1768:10 Unique 2.42, 2.94 A)
&rst
ixpk= 1768, nxpk= 10, iat= 323, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ASN HA 21 ASN HN 4.50 (# 1769:10 Unique 2.74, 2.86 A)
&rst
ixpk= 1769, nxpk= 10, iat= 335, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASP HB+ 21 ASN HN 2.80 (# 1770:10 Unique 1.84, 2.89 A)
&rst
ixpk= 1770, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 325, 326,
&end
#
# 21 ASN HB+ 21 ASN HN 3.50 (# 1771:10 Unique 2.11, 3.15 A)
&rst
ixpk= 1771, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 337, 338,
&end
#
# 21 ASN HB- 21 ASN HN 3.50 (# 1772:10 Unique 2.11, 3.15 A)
&rst
ixpk= 1772, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 337, 338,
&end
#
# 0 AMB 10-2:1773 21 ASN HN 4.50 (# 1773:10 Single Ambig)
&rst
ixpk= 1773, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1802,1803,1802,1803,
&end
#
# 0 AMB 10-2:1774 21 ASN HN 4.50 (# 1774:10 Single Ambig)
&rst
ixpk= 1774, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1208,1209, 411, 412, 413, 415, 416, 417, 411, 412,
413, 415, 416, 417,
&end
#
# 0 AMB 10-2:1775 21 ASN HN 4.50 (# 1775:10 Single Ambig)
&rst
ixpk= 1775, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 311, 312, 313, 315, 316, 317, 311, 312,
313, 315, 316, 317,
&end
#
# 75 LEU HA 21 ASN HN 5.50 (# 1776:10 Unique 3.20, 4.24 A)
&rst
ixpk= 1776, nxpk= 10, iat=1206, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1777 21 ASN HN 5.50 (# 1777:10 Single Ambig)
&rst
ixpk= 1777, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1194, 349,
&end
#
# 20 ASP HB- 21 ASN HN 2.80 (# 1778:10 Unique 1.84, 2.89 A)
&rst
ixpk= 1778, nxpk= 10, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 325, 326,
&end
#
# 23 GLY HN 21 ASN HN 5.50 (# 1779:10 Unique 2.77, 4.19 A)
&rst
ixpk= 1779, nxpk= 10, iat= 359, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 PHE HE 23 GLY HN 4.50 (# 1780:10 Unique 2.96, 5.82 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 801, 805,
&end
#
# 141 GLN HN 0 AMB 10-1:1781 5.50 (# 1781:10 Single Ambig)
&rst
ixpk= 1781, nxpk= 10, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2261,2262,2244,2245,
&end
#
# 0 AMB 10-2:1783 0 AMB 10-1:1783 4.50 (# 1783:10 Double Ambig)
&rst
ixpk= 1783, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1781,1782,2256,2257,2239,2240,
igr2=1756,1757,2261,2262,2244,2245,
&end
#
# 0 AMB 10-2:1784 0 AMB 10-1:1784 4.50 (# 1784:10 Double Ambig)
&rst
ixpk= 1784, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1781,1782,2236,2237,2253,2254,2253,2254,2236,2237,
igr2=1756,1757,2244,2245,2261,2262,
&end
#
# 46 LYS HB- 47 ASN HD2- 7.00 (# 1785:10 Unique 2.48, 5.10 A)
&rst
ixpk= 1785, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 740, 741,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1786 0 AMB 10-1:1786 4.50 (# 1786:10 Double Ambig)
&rst
ixpk= 1786, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 664, 665, 561, 570,
igr2= 588, 767, 768,
&end
#
# 0 AMB 10-2:1787 0 AMB 10-1:1787 4.50 (# 1787:10 Double Ambig)
&rst
ixpk= 1787, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2256,2257,2239,2240,
igr2=2261,2262,2261,2262,
&end
#
# 0 AMB 10-2:1788 0 AMB 10-1:1788 4.50 (# 1788:10 Double Ambig)
&rst
ixpk= 1788, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2253,2254,2253,2254,2236,2237,
igr2=2261,2262,2261,2262,2261,2262,
&end
#
# 141 GLN HN 141 GLN HE2+ 5.50 (# 1791:10 Unique 2.32, 4.47 A)
&rst
ixpk= 1791, nxpk= 10, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2261,2262,
&end
#
# 0 AMB 10-2:1793 0 AMB 10-1:1793 4.50 (# 1793:10 Double Ambig)
&rst
ixpk= 1793, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2256,2257,2239,2240,
igr2=2261,2262,2261,2262,
&end
#
# 20 ASP HN 23 GLY HN 5.50 (# 1794:10 Unique 3.07, 3.72 A)
&rst
ixpk= 1794, nxpk= 10, iat= 321, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASP HN 23 GLY HN 2.80 (# 1795:10 Unique 1.84, 2.18 A)
&rst
ixpk= 1795, nxpk= 10, iat= 366, 359, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 ASN HA 23 GLY HN 4.50 (# 1796:10 Unique 3.65, 4.19 A)
&rst
ixpk= 1796, nxpk= 10, iat= 335, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1797 0 AMB 10-1:1797 2.80 (# 1797:10 Double Ambig)
&rst
ixpk= 1797, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 361, 362,1437,1438,
igr2= 359,1394,1395,
&end
#
# 0 AMB 10-2:1798 0 AMB 10-1:1798 4.50 (# 1798:10 Double Ambig)
&rst
ixpk= 1798, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1437,1438, 306, 307,
igr2=1394,1395, 359,
&end
#
# 0 AMB 10-2:1799 23 GLY HN 4.50 (# 1799:10 Single Ambig)
&rst
ixpk= 1799, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
&end
#
# 0 AMB 10-2:1800 0 AMB 10-1:1800 5.50 (# 1800:10 Double Ambig)
&rst
ixpk= 1800, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321,1338,
igr2= 359,1394,1395,
&end
#
# 22 ASP HN 23 GLY HN 2.80 (# 1801:10 Unique 1.84, 1.93 A)
&rst
ixpk= 1801, nxpk= 10, iat= 347, 359, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 GLY HA+ 23 GLY HN 2.80 (# 1803:10 Unique 2.25, 2.68 A)
&rst
ixpk= 1803, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 361, 362,
&end
#
# 0 AMB 10-2:1804 0 AMB 10-1:1804 3.50 (# 1804:10 Double Ambig)
&rst
ixpk= 1804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 352, 325, 326,1440,1441,1440,1441,1377,1378,
igr2= 359,1394,1395,
&end
#
# 19 LEU HB- 23 GLY HN 4.50 (# 1805:10 Unique 3.37, 4.67 A)
&rst
ixpk= 1805, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 108 ASN HA 108 ASN HD2- 5.50 (# 1807:10 Unique 1.66, 4.24 A)
&rst
ixpk= 1807, nxpk= 10, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1756,1757,
&end
#
# 141 GLN HA 0 AMB 10-1:1808 4.50 (# 1808:10 Single Ambig)
&rst
ixpk= 1808, nxpk= 10, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2261,2262,2244,2245,
&end
#
# 0 AMB 10-2:1809 0 AMB 10-1:1809 3.50 (# 1809:10 Double Ambig)
&rst
ixpk= 1809, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2256,2257,2239,2240,1177,
igr2=2261,2262,2244,2245,1756,1757,
&end
#
# 108 ASN HN 108 ASN HD2- 5.50 (# 1810:10 Unique 2.55, 4.35 A)
&rst
ixpk= 1810, nxpk= 10, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1756,1757,
&end
#
# 110 GLU HG- 108 ASN HD2+ 5.50 (# 1812:10 Unique 1.93, 4.17 A)
&rst
ixpk= 1812, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1784,1785,
igr2=1756,1757,
&end
#
# 85 GLU HN 86 ASN HD2- 4.50 (# 1816:10 Unique 1.92, 4.40 A)
&rst
ixpk= 1816, nxpk= 10, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 88 LEU HB+ 86 ASN HD2- 5.50 (# 1818:10 Unique 3.43, 6.48 A)
&rst
ixpk= 1818, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1418,1419,
igr2=1394,1395,
&end
#
# 84 TYR HE 86 ASN HD2- 3.50 (# 1819:10 Unique 1.96, 3.89 A)
&rst
ixpk= 1819, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1359,1364,
igr2=1394,1395,
&end
#
# 0 AMB 10-2:1821 86 ASN HD2- 5.50 (# 1821:10 Single Ambig)
&rst
ixpk= 1821, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 152, 153, 154, 156, 157, 158,1423,1424,1425,1427,
1428,1429,1423,1424,1425,1427,1428,1429,
igr2=1394,1395,
&end
#
# 85 GLU HN 86 ASN HD2- 4.50 (# 1822:10 Unique 1.92, 4.40 A)
&rst
ixpk= 1822, nxpk= 10, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 0 AMB 10-2:1824 86 ASN HD2- 5.50 (# 1824:10 Single Ambig)
&rst
ixpk= 1824, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1418,1419,1457,
igr2=1394,1395,
&end
#
# 84 TYR HE 86 ASN HD2- 5.50 (# 1825:10 Unique 1.96, 3.89 A)
&rst
ixpk= 1825, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1359,1364,
igr2=1394,1395,
&end
#
# 0 AMB 10-2:1828 0 AMB 10-1:1828 3.50 (# 1828:10 Double Ambig)
&rst
ixpk= 1828, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2256,2257,2239,2240,1177,
igr2=2261,2262,2244,2245,1756,1757,
&end
#
# 0 AMB 10-2:1829 108 ASN HD2- 5.50 (# 1829:10 Single Ambig)
&rst
ixpk= 1829, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1183,1184,1735,1736,1735,1736,
igr2=1756,1757,
&end
#
# 0 AMB 10-2:1830 0 AMB 10-1:1830 5.50 (# 1830:10 Double Ambig)
&rst
ixpk= 1830, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=2232,2282,1848,
igr2=2261,2262,2244,2245,1756,1757,
&end
#
# 108 ASN HA 108 ASN HD2- 4.50 (# 1833:10 Unique 1.66, 4.24 A)
&rst
ixpk= 1833, nxpk= 10, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1756,1757,
&end
#
# 108 ASN HB- 108 ASN HD2- 3.50 (# 1834:10 Unique 2.10, 3.29 A)
&rst
ixpk= 1834, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1751,1752,
igr2=1756,1757,
&end
#
# 73 ILE QD1 108 ASN HD2- 4.50 (# 1836:10 Unique 1.95, 5.46 A)
&rst
ixpk= 1836, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1186,1187,1188,
igr2=1756,1757,
&end
#
# 44 PHE HA 47 ASN HD2- 3.50 (# 1837:10 Unique 1.93, 2.68 A)
&rst
ixpk= 1837, nxpk= 10, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1839 47 ASN HD2- 5.50 (# 1839:10 Single Ambig)
&rst
ixpk= 1839, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1052,1053,1054,1056,1057,1058,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2= 767, 768,
&end
#
# 44 PHE HB- 47 ASN HD2- 5.50 (# 1842:10 Unique 3.64, 5.09 A)
&rst
ixpk= 1842, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 705, 706,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1843 47 ASN HD2- 4.50 (# 1843:10 Single Ambig)
&rst
ixpk= 1843, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 832, 833, 832, 833,1006,1007,1006,1007,
igr2= 767, 768,
&end
#
# 44 PHE HD 47 ASN HD2- 3.50 (# 1844:10 Unique 1.93, 4.91 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 709, 717,
igr2= 767, 768,
&end
#
# 108 ASN HN 108 ASN HD2+ 5.50 (# 1846:10 Unique 2.55, 4.35 A)
&rst
ixpk= 1846, nxpk= 10, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1756,1757,
&end
#
# 108 ASN HA 108 ASN HD2+ 4.50 (# 1850:10 Unique 1.66, 4.24 A)
&rst
ixpk= 1850, nxpk= 10, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1756,1757,
&end
#
# 108 ASN HB- 108 ASN HD2+ 3.50 (# 1851:10 Unique 2.10, 3.29 A)
&rst
ixpk= 1851, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1751,1752,
igr2=1756,1757,
&end
#
# 0 AMB 10-2:1852 0 AMB 10-1:1852 4.50 (# 1852:10 Double Ambig)
&rst
ixpk= 1852, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1781,1782,1784,1785,
igr2=1756,1757,1756,1757,
&end
#
# 73 ILE QD1 108 ASN HD2+ 4.50 (# 1853:10 Unique 1.95, 5.46 A)
&rst
ixpk= 1853, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1186,1187,1188,
igr2=1756,1757,
&end
#
# 0 AMB 10-2:1856 0 AMB 10-1:1856 7.00 (# 1856:10 Double Ambig)
&rst
ixpk= 1856, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.28, r4=15.78,
igr1=1052,1053,1054,1056,1057,1058,1082,1083,1084,1086,
1087,1088,1082,1083,1084,1086,1087,1088,
igr2= 767, 768, 767, 768, 767, 768,
&end
#
# 0 AMB 10-2:1857 0 AMB 10-1:1857 5.50 (# 1857:10 Double Ambig)
&rst
ixpk= 1857, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 703,2251,
igr2= 767, 768,2244,2245,
&end
#
# 0 AMB 10-2:1858 0 AMB 10-1:1858 5.50 (# 1858:10 Double Ambig)
&rst
ixpk= 1858, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=2319,2320,2319,2320,2225,2226,
igr2=2244,2245,2244,2245,2244,2245,
&end
#
# 143 VAL MGY 140 GLN HE2+ 5.50 (# 1859:10 Unique 4.47, 7.56 A)
&rst
ixpk= 1859, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2288,2289,2290,2292,2293,2294,
igr2=2244,2245,
&end
#
# 0 AMB 10-2:1861 0 AMB 10-1:1861 5.50 (# 1861:10 Double Ambig)
&rst
ixpk= 1861, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=2272,2273,2274,2276,2277,2278,2374,2375,2376,2378,
2379,2380,2374,2375,2376,2378,2379,2380,
igr2=2244,2245,2244,2245,2244,2245,
&end
#
# 0 AMB 10-2:1863 86 ASN HD2- 2.80 (# 1863:10 Single Ambig)
&rst
ixpk= 1863, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1389,1390,1389,1390,
igr2=1394,1395,
&end
#
# 0 AMB 10-2:1864 86 ASN HD2- 4.50 (# 1864:10 Single Ambig)
&rst
ixpk= 1864, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 152, 153, 154, 156, 157, 158,1423,1424,1425,1427,
1428,1429,
igr2=1394,1395,
&end
#
# 0 AMB 10-2:1867 0 AMB 10-1:1867 3.50 (# 1867:10 Double Ambig)
&rst
ixpk= 1867, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1781,1782,2256,2257,2239,2240,1177,
igr2=1756,1757,2261,2262,2244,2245,
&end
#
# 0 AMB 10-2:1868 0 AMB 10-1:1868 4.50 (# 1868:10 Double Ambig)
&rst
ixpk= 1868, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1781,1782,2236,2237,2236,2237,2253,2254,2253,2254,
2236,2237,
igr2=1756,1757,2244,2245,2261,2262,
&end
#
# 0 AMB 10-2:1869 0 AMB 10-1:1869 5.50 (# 1869:10 Double Ambig)
&rst
ixpk= 1869, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=1802,1803,1802,1803,2319,2320,2319,2320,2319,2320,
2225,2226,1689,2388,2389,
igr2=1756,1757,2261,2262,2244,2245,
&end
#
# 110 GLU HA 108 ASN HD2- 5.50 (# 1870:10 Unique 2.73, 4.97 A)
&rst
ixpk= 1870, nxpk= 10, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1756,1757,
&end
#
# 0 AMB 10-2:1871 47 ASN HD2- 5.50 (# 1871:10 Single Ambig)
&rst
ixpk= 1871, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 728, 729, 531, 532, 531, 532,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1872 47 ASN HD2- 4.50 (# 1872:10 Single Ambig)
&rst
ixpk= 1872, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1025,1026,1028,1029,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1874 47 ASN HD2- 2.80 (# 1874:10 Single Ambig)
&rst
ixpk= 1874, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 762, 763, 762, 763,
igr2= 767, 768,
&end
#
# 110 GLU HN 108 ASN HD2+ 5.50 (# 1878:10 Unique 1.87, 3.58 A)
&rst
ixpk= 1878, nxpk= 10, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1756,1757,
&end
#
# 0 AMB 10-2:1879 0 AMB 10-1:1879 3.50 (# 1879:10 Double Ambig)
&rst
ixpk= 1879, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1389,1390,1389,1390,
igr2=1394,1395,1394,1395,
&end
#
# 0 AMB 10-2:1880 0 AMB 10-1:1880 5.50 (# 1880:10 Double Ambig)
&rst
ixpk= 1880, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 75, 76,1068,1069,1070, 189, 190, 191,
igr2=1394,1395,1394,1395,1394,1395,
&end
#
# 0 AMB 10-2:1881 0 AMB 10-1:1881 4.50 (# 1881:10 Double Ambig)
&rst
ixpk= 1881, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 152, 153, 154, 156, 157, 158,1423,1424,1425,1427,
1428,1429,1423,1424,1425,1427,1428,1429,
igr2=1394,1395,1394,1395,1394,1395,
&end
#
# 0 AMB 10-2:1884 0 AMB 10-1:1884 5.50 (# 1884:10 Double Ambig)
&rst
ixpk= 1884, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1440,1441,1377,1378,1377,1378,
igr2=1394,1395,1394,1395,1394,1395,
&end
#
# 0 AMB 10-2:1885 0 AMB 10-1:1885 4.50 (# 1885:10 Double Ambig)
&rst
ixpk= 1885, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1444,1445,1446,1374,1375,1374,1375,
igr2=1394,1395,1394,1395,1394,1395,
&end
#
# 88 LEU HB- 86 ASN HD2+ 5.50 (# 1886:10 Unique 3.43, 6.48 A)
&rst
ixpk= 1886, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1418,1419,
igr2=1394,1395,
&end
#
# 46 LYS HN 47 ASN HD2+ 5.50 (# 1887:10 Unique 2.96, 4.38 A)
&rst
ixpk= 1887, nxpk= 10, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1888 0 AMB 10-1:1888 4.50 (# 1888:10 Double Ambig)
&rst
ixpk= 1888, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1047,1048,1305,
igr2= 767, 768, 767, 768,
&end
#
# 44 PHE HD 47 ASN HD2+ 4.50 (# 1889:10 Unique 1.93, 4.91 A)
&rst
ixpk= 1889, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 709, 717,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1890 0 AMB 10-1:1890 4.50 (# 1890:10 Double Ambig)
&rst
ixpk= 1890, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1025,1026, 725, 726, 557, 558,
igr2= 767, 768, 767, 768, 767, 768,
&end
#
# 47 ASN HA 47 ASN HD2+ 4.50 (# 1893:10 Unique 3.40, 4.46 A)
&rst
ixpk= 1893, nxpk= 10, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 767, 768,
&end
#
# 44 PHE HA 47 ASN HD2+ 4.50 (# 1894:10 Unique 1.93, 2.68 A)
&rst
ixpk= 1894, nxpk= 10, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1895 0 AMB 10-1:1895 2.80 (# 1895:10 Double Ambig)
&rst
ixpk= 1895, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 762, 763, 762, 763,
igr2= 767, 768, 767, 768,
&end
#
# 0 AMB 10-2:1896 0 AMB 10-1:1896 4.50 (# 1896:10 Double Ambig)
&rst
ixpk= 1896, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 832, 833, 832, 833,1006,1007,1006,1007, 695, 696,
697,
igr2= 767, 768, 767, 768, 767, 768, 767, 768, 767, 768,
&end
#
# 62 LEU MDY 47 ASN HD2+ 4.50 (# 1897:10 Unique 1.97, 5.98 A)
&rst
ixpk= 1897, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1011,1012,1013,1015,1016,1017,
igr2= 767, 768,
&end
#
# 51 LYS HE+ 47 ASN HD2+ 4.50 (# 1898:10 Unique 2.35, 5.93 A)
&rst
ixpk= 1898, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 838, 839,
igr2= 767, 768,
&end
#
# 144 HIS HD2 140 GLN HE2+ 5.50 (# 1900:10 Unique 2.54, 4.53 A)
&rst
ixpk= 1900, nxpk= 10, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2244,2245,
&end
#
# 141 GLN HE2+ 140 GLN HE2+ 2.80 (# 1901:10 Unique 2.04, 3.46 A)
&rst
ixpk= 1901, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2261,2262,
igr2=2244,2245,
&end
#
# 0 AMB 10-2:1904 0 AMB 10-1:1904 5.50 (# 1904:10 Double Ambig)
&rst
ixpk= 1904, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2234,2219,2220,
igr2=2244,2245,2244,2245,
&end
#
# 140 GLN HG+ 140 GLN HE2+ 4.50 (# 1905:10 Unique 2.25, 3.49 A)
&rst
ixpk= 1905, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2239,2240,
igr2=2244,2245,
&end
#
# 140 GLN HG- 140 GLN HE2+ 4.50 (# 1906:10 Unique 2.25, 3.49 A)
&rst
ixpk= 1906, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2239,2240,
igr2=2244,2245,
&end
#
# 0 AMB 10-2:1907 0 AMB 10-1:1907 4.50 (# 1907:10 Double Ambig)
&rst
ixpk= 1907, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=2236,2237,2236,2237,2253,2254,2253,2254,
igr2=2244,2245,2244,2245,2244,2245,2244,2245,
&end
#
# 143 VAL MGX 140 GLN HE2+ 5.50 (# 1908:10 Unique 4.47, 7.56 A)
&rst
ixpk= 1908, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2288,2289,2290,2292,2293,2294,
igr2=2244,2245,
&end
#
# 141 GLN HA 140 GLN HE2+ 5.50 (# 1909:10 Unique 1.96, 3.34 A)
&rst
ixpk= 1909, nxpk= 10, iat=2251, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2244,2245,
&end
#
# 0 AMB 10-2:1913 0 AMB 10-1:1913 4.50 (# 1913:10 Double Ambig)
&rst
ixpk= 1913, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1025,1026,1028,1029,
igr2= 767, 768, 767, 768,
&end
#
# 62 LEU MDX 47 ASN HD2+ 4.50 (# 1914:10 Unique 1.97, 5.98 A)
&rst
ixpk= 1914, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1011,1012,1013,1015,1016,1017,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1915 47 ASN HD2- 5.50 (# 1915:10 Single Ambig)
&rst
ixpk= 1915, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1025,1026,1028,1029,
igr2= 767, 768,
&end
#
# 0 AMB 10-2:1918 0 AMB 10-1:1918 5.50 (# 1918:10 Double Ambig)
&rst
ixpk= 1918, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1028,1029,1025,1026,1080,
igr2= 820, 821, 820, 821, 820, 821,
&end
#
# 0 AMB 10-2:1921 0 AMB 10-1:1921 5.50 (# 1921:10 Double Ambig)
&rst
ixpk= 1921, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=2236,2237,2236,2237,2253,2254,2253,2254,
igr2=2244,2245,2244,2245,2244,2245,2244,2245,
&end
#
# 0 AMB 10-2:1922 107 LYS HN 4.50 (# 1922:10 Single Ambig)
&rst
ixpk= 1922, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1729,1730,1689,
&end
#
# 109 VAL HN 107 LYS HN 5.50 (# 1923:10 Unique 2.86, 4.41 A)
&rst
ixpk= 1923, nxpk= 10, iat=1761,1725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 HIS HN 55 THR HN 5.50 (# 1924:10 Unique 2.79, 4.03 A)
&rst
ixpk= 1924, nxpk= 10, iat= 861, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1927 50 ASN HD2- 5.50 (# 1927:10 Single Ambig)
&rst
ixpk= 1927, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 829, 830, 865, 866, 882, 883,
igr2= 820, 821,
&end
#
# 109 VAL HN 107 LYS HN 5.50 (# 1929:10 Unique 2.86, 4.41 A)
&rst
ixpk= 1929, nxpk= 10, iat=1761,1725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 LYS HA 107 LYS HN 2.80 (# 1930:10 Unique 2.24, 2.78 A)
&rst
ixpk= 1930, nxpk= 10, iat=1727,1725, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 106 ARG HA 107 LYS HN 3.50 (# 1931:10 Unique 2.27, 2.50 A)
&rst
ixpk= 1931, nxpk= 10, iat=1703,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1932 107 LYS HN 3.50 (# 1932:10 Single Ambig)
&rst
ixpk= 1932, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1705,1706,1729,1730,
&end
#
# 0 AMB 10-2:1933 107 LYS HN 3.50 (# 1933:10 Single Ambig)
&rst
ixpk= 1933, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1686,1687,1735,1736,1735,1736,
&end
#
# 0 AMB 10-2:1934 107 LYS HN 4.50 (# 1934:10 Single Ambig)
&rst
ixpk= 1934, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1705,1706,1686,1687,
&end
#
# 0 AMB 10-2:1935 107 LYS HN 3.50 (# 1935:10 Single Ambig)
&rst
ixpk= 1935, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1732,1733,1732,1733,
&end
#
# 0 AMB 10-2:1936 107 LYS HN 4.50 (# 1936:10 Single Ambig)
&rst
ixpk= 1936, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1767,1768,1769,1771,1772,1773,1691,1692,1693,1695,
1696,1697,1691,1692,1693,1695,1696,1697,
&end
#
# 109 VAL MGX 107 LYS HN 5.50 (# 1937:10 Unique 2.29, 5.17 A)
&rst
ixpk= 1937, nxpk= 10, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1767,1768,1769,1771,1772,1773,
&end
#
# 108 ASN HA 107 LYS HN 5.50 (# 1938:10 Unique 4.06, 4.72 A)
&rst
ixpk= 1938, nxpk= 10, iat=1749,1725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ARG HB+ 55 THR HN 5.50 (# 1939:10 Unique 2.06, 3.45 A)
&rst
ixpk= 1939, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 882, 883,
&end
#
# 0 AMB 10-2:1940 55 THR HN 3.50 (# 1940:10 Single Ambig)
&rst
ixpk= 1940, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 827,
&end
#
# 54 ARG HN 55 THR HN 5.50 (# 1941:10 Unique 1.78, 2.55 A)
&rst
ixpk= 1941, nxpk= 10, iat= 878, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HA 55 THR HN 4.50 (# 1942:10 Unique 2.26, 2.79 A)
&rst
ixpk= 1942, nxpk= 10, iat= 904, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ARG HB- 55 THR HN 5.50 (# 1943:10 Unique 2.06, 3.45 A)
&rst
ixpk= 1943, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 882, 883,
&end
#
# 54 ARG HB+ 55 THR HN 5.50 (# 1944:10 Unique 2.06, 3.45 A)
&rst
ixpk= 1944, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 882, 883,
&end
#
# 75 LEU HA 21 ASN HD2- 5.50 (# 1945:10 Unique 3.40, 5.60 A)
&rst
ixpk= 1945, nxpk= 10, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 342, 343,
&end
#
# 74 ASP HB- 21 ASN HD2- 4.50 (# 1946:10 Unique 1.95, 4.13 A)
&rst
ixpk= 1946, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1196,1197,
igr2= 342, 343,
&end
#
# 74 ASP HB+ 21 ASN HD2- 4.50 (# 1949:10 Unique 1.95, 4.13 A)
&rst
ixpk= 1949, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1196,1197,
igr2= 342, 343,
&end
#
# 21 ASN HB+ 21 ASN HD2- 3.50 (# 1950:10 Unique 2.10, 3.21 A)
&rst
ixpk= 1950, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 337, 338,
igr2= 342, 343,
&end
#
# 0 AMB 10-2:1951 21 ASN HD2- 3.50 (# 1951:10 Single Ambig)
&rst
ixpk= 1951, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 337, 338,1227,1228,1227,1228,
igr2= 342, 343,
&end
#
# 21 ASN HN 21 ASN HD2- 5.50 (# 1952:10 Unique 1.92, 3.87 A)
&rst
ixpk= 1952, nxpk= 10, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 342, 343,
&end
#
# 21 ASN HB+ 21 ASN HD2+ 3.50 (# 1958:10 Unique 2.10, 3.21 A)
&rst
ixpk= 1958, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 337, 338,
igr2= 342, 343,
&end
#
# 74 ASP HB- 21 ASN HD2+ 4.50 (# 1959:10 Unique 1.95, 4.13 A)
&rst
ixpk= 1959, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1196,1197,
igr2= 342, 343,
&end
#
# 74 ASP HB+ 21 ASN HD2+ 4.50 (# 1960:10 Unique 1.95, 4.13 A)
&rst
ixpk= 1960, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1196,1197,
igr2= 342, 343,
&end
#
# 0 AMB 10-2:1961 0 AMB 10-1:1961 3.50 (# 1961:10 Double Ambig)
&rst
ixpk= 1961, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 337, 338,1227,1228,1227,1228,
igr2= 342, 343, 342, 343, 342, 343,
&end
#
# 0 AMB 10-2:1963 50 ASN HD2- 4.50 (# 1963:10 Single Ambig)
&rst
ixpk= 1963, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 835, 836, 835, 836,
igr2= 820, 821,
&end
#
# 0 AMB 10-2:1964 50 ASN HD2- 5.50 (# 1964:10 Single Ambig)
&rst
ixpk= 1964, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 829, 830, 865, 866, 882, 883,
igr2= 820, 821,
&end
#
# 55 THR MG2 55 THR HN 4.50 (# 1969:10 Unique 1.94, 4.03 A)
&rst
ixpk= 1969, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 908, 909, 910,
&end
#
# 54 ARG HG+ 55 THR HN 5.50 (# 1970:10 Unique 2.32, 4.76 A)
&rst
ixpk= 1970, nxpk= 10, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 885, 886,
&end
#
# 0 AMB 10-2:1971 0 AMB 10-1:1971 4.50 (# 1971:10 Double Ambig)
&rst
ixpk= 1971, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 811, 791,
igr2= 820, 821, 820, 821,
&end
#
# 47 ASN HA 50 ASN HD2+ 4.50 (# 1974:10 Unique 3.44, 5.08 A)
&rst
ixpk= 1974, nxpk= 10, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 820, 821,
&end
#
# 0 AMB 10-2:1975 0 AMB 10-1:1975 5.50 (# 1975:10 Double Ambig)
&rst
ixpk= 1975, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 813, 827,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 10-2:1976 0 AMB 10-1:1976 3.50 (# 1976:10 Double Ambig)
&rst
ixpk= 1976, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 838, 839, 815, 816,
igr2= 820, 821, 820, 821,
&end
#
# 50 ASN HB- 50 ASN HD2+ 3.50 (# 1977:10 Unique 2.10, 3.34 A)
&rst
ixpk= 1977, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 815, 816,
igr2= 820, 821,
&end
#
# 0 AMB 10-2:1978 0 AMB 10-1:1978 4.50 (# 1978:10 Double Ambig)
&rst
ixpk= 1978, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 835, 836, 835, 836,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 10-2:1979 0 AMB 10-1:1979 4.50 (# 1979:10 Double Ambig)
&rst
ixpk= 1979, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 832, 833, 832, 833,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 10-2:1980 50 ASN HD2- 5.50 (# 1980:10 Single Ambig)
&rst
ixpk= 1980, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 813, 827,
igr2= 820, 821,
&end
#
# 0 AMB 10-2:1981 50 ASN HD2- 4.50 (# 1981:10 Single Ambig)
&rst
ixpk= 1981, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 811, 791,
igr2= 820, 821,
&end
#
# 47 ASN HA 50 ASN HD2- 4.50 (# 1984:10 Unique 3.44, 5.08 A)
&rst
ixpk= 1984, nxpk= 10, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 820, 821,
&end
#
# 0 AMB 10-2:1985 50 ASN HD2- 3.50 (# 1985:10 Single Ambig)
&rst
ixpk= 1985, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 838, 839, 815, 816,
igr2= 820, 821,
&end
#
# 50 ASN HB- 50 ASN HD2- 3.50 (# 1986:10 Unique 2.10, 3.34 A)
&rst
ixpk= 1986, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 815, 816,
igr2= 820, 821,
&end
#
# 0 AMB 10-2:1987 50 ASN HD2- 3.50 (# 1987:10 Single Ambig)
&rst
ixpk= 1987, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 832, 833, 832, 833,
igr2= 820, 821,
&end
#
# 54 ARG HB+ 50 ASN HD2- 5.50 (# 1988:10 Unique 4.31, 5.99 A)
&rst
ixpk= 1988, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 882, 883,
igr2= 820, 821,
&end
#
# 100 SER HB+ 103 GLN HE2+ 5.50 (# 1992:10 Unique 3.98, 6.72 A)
&rst
ixpk= 1992, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1611,1612,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:1993 0 AMB 10-1:1993 5.50 (# 1993:10 Double Ambig)
&rst
ixpk= 1993, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1=2244,2245,2261,2262,1910,1911,2355,
igr2=1660,1661,1660,1661,1660,1661,1660,1661,
&end
#
# 0 AMB 10-2:1996 25 ARG HE 4.50 (# 1996:10 Single Ambig)
&rst
ixpk= 1996, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 389, 388, 389,
&end
#
# 0 AMB 10-2:1997 25 ARG HE 4.50 (# 1997:10 Single Ambig)
&rst
ixpk= 1997, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 382, 383, 656, 657,
&end
#
# 25 ARG HG+ 25 ARG HE 3.50 (# 1998:10 Unique 2.08, 3.00 A)
&rst
ixpk= 1998, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 385, 386,
&end
#
# 25 ARG HG- 25 ARG HE 4.50 (# 1999:10 Unique 2.08, 3.00 A)
&rst
ixpk= 1999, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 385, 386,
&end
#
# 28 ALA MB 25 ARG HE 4.50 (# 2000:10 Unique 3.99, 6.39 A)
&rst
ixpk= 2000, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 445, 446, 447,
&end
#
# 0 AMB 10-2:2001 25 ARG HE 5.50 (# 2001:10 Single Ambig)
&rst
ixpk= 2001, nxpk= 10, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279,
&end
#
# 0 AMB 10-2:2002 0 AMB 10-1:2002 4.50 (# 2002:10 Double Ambig)
&rst
ixpk= 2002, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1597,2228,
igr2=1660,1661,1660,1661,
&end
#
# 0 AMB 10-2:2007 0 AMB 10-1:2007 4.50 (# 2007:10 Double Ambig)
&rst
ixpk= 2007, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1650,2234,
igr2=1660,1661,1660,1661,
&end
#
# 99 ASP HB+ 103 GLN HE2+ 5.50 (# 2008:10 Unique 1.95, 4.09 A)
&rst
ixpk= 2008, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1599,1600,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:2009 0 AMB 10-1:2009 2.80 (# 2009:10 Double Ambig)
&rst
ixpk= 2009, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1599,1600,2225,2226,1655,1656,
igr2=1660,1661,1660,1661,1660,1661,
&end
#
# 103 GLN HG- 103 GLN HE2+ 3.50 (# 2010:10 Unique 2.10, 3.14 A)
&rst
ixpk= 2010, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1655,1656,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:2011 0 AMB 10-1:2011 4.50 (# 2011:10 Double Ambig)
&rst
ixpk= 2011, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1=1652,1653,1652,1653,2222,2223,2236,2237,2236,2237,
igr2=1660,1661,1660,1661,1660,1661,1660,1661,1660,1661,
&end
#
# 139 PRO HB- 103 GLN HE2+ 5.50 (# 2012:10 Unique 2.04, 4.76 A)
&rst
ixpk= 2012, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225,2226,
igr2=1660,1661,
&end
#
# 143 VAL MGY 103 GLN HE2+ 4.50 (# 2013:10 Unique 3.73, 7.00 A)
&rst
ixpk= 2013, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1660,1661,
&end
#
# 143 VAL MGX 103 GLN HE2+ 4.50 (# 2014:10 Unique 3.73, 7.00 A)
&rst
ixpk= 2014, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:2015 103 GLN HE2- 5.50 (# 2015:10 Single Ambig)
&rst
ixpk= 2015, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1597,2228,
igr2=1660,1661,
&end
#
# 139 PRO HB- 103 GLN HE2- 5.50 (# 2016:10 Unique 2.04, 4.76 A)
&rst
ixpk= 2016, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2225,2226,
igr2=1660,1661,
&end
#
# 143 VAL MGY 103 GLN HE2- 5.50 (# 2017:10 Unique 3.73, 7.00 A)
&rst
ixpk= 2017, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1660,1661,
&end
#
# 143 VAL MGX 103 GLN HE2- 5.50 (# 2018:10 Unique 3.73, 7.00 A)
&rst
ixpk= 2018, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:2021 103 GLN HE2- 4.50 (# 2021:10 Single Ambig)
&rst
ixpk= 2021, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1650,2234,
igr2=1660,1661,
&end
#
# 99 ASP HB+ 103 GLN HE2- 7.00 (# 2022:10 Unique 1.95, 4.09 A)
&rst
ixpk= 2022, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1599,1600,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:2023 103 GLN HE2- 3.50 (# 2023:10 Single Ambig)
&rst
ixpk= 2023, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1599,1600,2225,2226,1655,1656,
igr2=1660,1661,
&end
#
# 103 GLN HG- 103 GLN HE2- 4.50 (# 2024:10 Unique 2.10, 3.14 A)
&rst
ixpk= 2024, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1655,1656,
igr2=1660,1661,
&end
#
# 0 AMB 10-2:2025 103 GLN HE2- 4.50 (# 2025:10 Single Ambig)
&rst
ixpk= 2025, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1652,1653,1652,1653,2222,2223,2236,2237,2236,2237,
igr2=1660,1661,
&end
#
# 143 VAL MGY 103 GLN HE2- 5.50 (# 2027:10 Unique 3.73, 7.00 A)
&rst
ixpk= 2027, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2288,2289,2290,2292,2293,2294,
igr2=1660,1661,
&end
#
# 53 HIS HN 52 THR HN 3.50 (# 2030:10 Unique 1.89, 2.68 A)
&rst
ixpk= 2030, nxpk= 10, iat= 861, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 LYS HN 52 THR HN 3.50 (# 2031:10 Unique 1.88, 2.82 A)
&rst
ixpk= 2031, nxpk= 10, iat= 825, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2033 52 THR HN 3.50 (# 2033:10 Single Ambig)
&rst
ixpk= 2033, nxpk= 10, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 827, 849,
&end
#
# 52 THR HB 52 THR HN 4.50 (# 2034:10 Unique 3.43, 3.56 A)
&rst
ixpk= 2034, nxpk= 10, iat= 851, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 LYS HB+ 52 THR HN 4.50 (# 2035:10 Unique 1.96, 3.15 A)
&rst
ixpk= 2035, nxpk= 10, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 829, 830,
&end
#
# 51 LYS HB- 52 THR HN 4.50 (# 2036:10 Unique 1.96, 3.15 A)
&rst
ixpk= 2036, nxpk= 10, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 829, 830,
&end
#
# 52 THR MG2 52 THR HN 3.50 (# 2037:10 Unique 1.83, 3.03 A)
&rst
ixpk= 2037, nxpk= 10, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 853, 854, 855,
&end
#
# 0 AMB 10-2:2038 52 THR HN 4.50 (# 2038:10 Single Ambig)
&rst
ixpk= 2038, nxpk= 10, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 832, 833, 832, 833, 882, 883,1006,1007,
&end
#
# 0 AMB 10-2:2041 0 AMB 10-1:2041 4.50 (# 2041:10 Double Ambig)
&rst
ixpk= 2041, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 641, 642, 603, 725, 726,
igr2= 664, 665, 664, 665, 664, 665,
&end
#
# 0 AMB 10-2:2042 0 AMB 10-1:2042 5.50 (# 2042:10 Double Ambig)
&rst
ixpk= 2042, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 659, 660, 659, 660,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 10-2:2043 41 GLN HE2- 5.50 (# 2043:10 Single Ambig)
&rst
ixpk= 2043, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 641, 642, 603, 725, 726,
igr2= 664, 665,
&end
#
# 0 AMB 10-2:2044 41 GLN HE2- 5.50 (# 2044:10 Single Ambig)
&rst
ixpk= 2044, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 659, 660, 659, 660,
igr2= 664, 665,
&end
#
# 0 AMB 10-2:2046 64 GLY HN 4.50 (# 2046:10 Single Ambig)
&rst
ixpk= 2046, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 992, 993, 994, 996, 997, 998, 992, 993, 994, 996,
997, 998,
&end
#
# 63 GLU HN 64 GLY HN 4.50 (# 2047:10 Unique 2.33, 2.85 A)
&rst
ixpk= 2047, nxpk= 10, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 LEU HN 64 GLY HN 3.50 (# 2048:10 Unique 2.38, 2.64 A)
&rst
ixpk= 2048, nxpk= 10, iat=1043,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 GLY HA- 64 GLY HN 2.80 (# 2050:10 Unique 2.25, 2.57 A)
&rst
ixpk= 2050, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1038,1039,
&end
#
# 63 GLU HA 64 GLY HN 3.50 (# 2051:10 Unique 2.59, 2.75 A)
&rst
ixpk= 2051, nxpk= 10, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 GLY HA+ 64 GLY HN 2.80 (# 2052:10 Unique 2.25, 2.57 A)
&rst
ixpk= 2052, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1038,1039,
&end
#
# 0 AMB 10-2:2054 64 GLY HN 5.50 (# 2054:10 Single Ambig)
&rst
ixpk= 2054, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1025,1026,1028,1029,
&end
#
# 65 LEU HG 64 GLY HN 5.50 (# 2055:10 Unique 3.98, 4.35 A)
&rst
ixpk= 2055, nxpk= 10, iat=1050,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2056 64 GLY HN 4.50 (# 2056:10 Single Ambig)
&rst
ixpk= 2056, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 990, 987, 988, 987, 988,
&end
#
# 119 GLU HN 120 GLY HN 3.50 (# 2057:10 Unique 2.11, 2.52 A)
&rst
ixpk= 2057, nxpk= 10, iat=1932,1947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 PHE HN 120 GLY HN 4.50 (# 2058:10 Unique 3.67, 3.87 A)
&rst
ixpk= 2058, nxpk= 10, iat=1973,1947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 LEU HN 120 GLY HN 3.50 (# 2059:10 Unique 2.29, 2.52 A)
&rst
ixpk= 2059, nxpk= 10, iat=1954,1947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 MET HA 120 GLY HN 4.50 (# 2060:10 Unique 3.86, 4.11 A)
&rst
ixpk= 2060, nxpk= 10, iat=1917,1947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 GLU HA 120 GLY HN 3.50 (# 2061:10 Unique 3.49, 3.53 A)
&rst
ixpk= 2061, nxpk= 10, iat=1934,1947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:2062 120 GLY HN 2.80 (# 2062:10 Single Ambig)
&rst
ixpk= 2062, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1949,1950,1949,1950,
&end
#
# 0 AMB 10-2:2063 120 GLY HN 2.80 (# 2063:10 Single Ambig)
&rst
ixpk= 2063, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1936,1937,1936,1937,
&end
#
# 0 AMB 10-2:2064 120 GLY HN 4.50 (# 2064:10 Single Ambig)
&rst
ixpk= 2064, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1939,1940,1939,1940,
&end
#
# 121 LEU HB- 120 GLY HN 5.50 (# 2065:10 Unique 4.07, 5.10 A)
&rst
ixpk= 2065, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1958,1959,
&end
#
# 121 LEU HB- 120 GLY HN 5.50 (# 2066:10 Unique 4.07, 5.10 A)
&rst
ixpk= 2066, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1958,1959,
&end
#
# 117 ASN HA 120 GLY HN 4.50 (# 2067:10 Unique 3.09, 3.31 A)
&rst
ixpk= 2067, nxpk= 10, iat=1903,1947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:2068 120 GLY HN 4.50 (# 2068:10 Single Ambig)
&rst
ixpk= 2068, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=2002,2003,2004,2006,2007,2008,2002,2003,2004,2006,
2007,2008,1961,2345,2346,2347,2349,2350,2351,2345,
2346,2347,2349,2350,2351,
&end
#
# 117 ASN HB+ 120 GLY HN 5.50 (# 2069:10 Unique 3.06, 4.08 A)
&rst
ixpk= 2069, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1905,1906,
&end
#
# 0 AMB 10-2:2070 120 GLY HN 5.50 (# 2070:10 Single Ambig)
&rst
ixpk= 2070, nxpk= 10, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1627,1628,1629,1631,1632,1633,1627,1628,1629,1631,
1632,1633,1691,1692,1693,1695,1696,1697,1691,1692,
1693,1695,1696,1697,1857,1858,1859,1861,1862,1863,
2374,2375,2376,2378,2379,2380,
&end
#
# 46 LYS HN 44 PHE HN 4.50 (# 2071:10 Unique 3.58, 3.90 A)
&rst
ixpk= 2071, nxpk= 10, iat= 736, 701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 141 GLN HN 140 GLN HE2+ 5.50 (# 2073:10 Unique 2.40, 3.91 A)
&rst
ixpk= 2073, nxpk= 10, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2244,2245,
&end
#
# 0 AMB 10-2:2074 103 GLN HE2- 7.00 (# 2074:10 Single Ambig)
&rst
ixpk= 2074, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2232,1665,2282,
igr2=1660,1661,
&end
#
# 136 GLU HN 135 LEU HN 5.50 (# 2075:10 Unique 1.88, 2.81 A)
&rst
ixpk= 2075, nxpk= 10, iat=2180,2161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2079 30 TYR HN 5.50 (# 2079:10 Single Ambig)
&rst
ixpk= 2079, nxpk= 10, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 266, 237,
&end
#
# 118 MET HA 120 GLY HN 5.50 (# 2080:10 Unique 3.86, 4.11 A)
&rst
ixpk= 2080, nxpk= 10, iat=1917,1947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LEU HB- 86 ASN HD2+ 5.50 (# 2086:10 Unique 3.43, 6.48 A)
&rst
ixpk= 2086, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1418,1419,
igr2=1394,1395,
&end
#
# 0 AMB 10-2:2087 37 SER HN 5.50 (# 2087:10 Single Ambig)
&rst
ixpk= 2087, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 477, 478, 531, 532, 531, 532,
&end
#
# 30 TYR HB+ 37 SER HN 5.50 (# 2089:10 Unique 5.07, 6.01 A)
&rst
ixpk= 2089, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 478,
&end
#
# 111 LYS HA 75 LEU HN 7.00 (# 2091:10 Unique 4.89, 5.54 A)
&rst
ixpk= 2091, nxpk= 10, iat=1794,1204, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2092 140 GLN HN 7.00 (# 2092:10 Single Ambig)
&rst
ixpk= 2092, nxpk= 10, iat= -1,2232, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=2288,2289,2290,2292,2293,2294,2075,2076,2075,2076,
&end
#
# 142 VAL HB 143 VAL HN 4.50 (# 2093:10 Unique 2.13, 2.94 A)
&rst
ixpk= 2093, nxpk= 10, iat=2270,2282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 VAL HN 143 VAL HN 4.50 (# 2094:10 Unique 1.90, 3.06 A)
&rst
ixpk= 2094, nxpk= 10, iat=2266,2282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ALA HA 126 ASP HN 7.00 (# 2095:10 Unique 3.64, 4.20 A)
&rst
ixpk= 2095, nxpk= 10, iat=2014,2038, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2097 145 ARG HN 7.00 (# 2097:10 Single Ambig)
&rst
ixpk= 2097, nxpk= 10, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2341,2014,
&end
#
# 108 ASN HD2+ 108 ASN HN 5.50 (# 2098:10 Unique 2.55, 4.35 A)
&rst
ixpk= 2098, nxpk= 10, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1756,1757,
&end
#
# 88 LEU HN 90 LEU HN 5.50 (# 2099:10 Unique 3.18, 3.67 A)
&rst
ixpk= 2099, nxpk= 10, iat=1414,1450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 PHE HA 100 SER HN 5.50 (# 2100:10 Unique 3.61, 4.33 A)
&rst
ixpk= 2100, nxpk= 10, iat=1577,1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HA 113 ALA HN 7.00 (# 2101:10 Unique 4.47, 4.85 A)
&rst
ixpk= 2101, nxpk= 10, iat=1763,1838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2102 50 ASN HN 5.50 (# 2102:10 Single Ambig)
&rst
ixpk= 2102, nxpk= 10, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1011,1012,1013,1015,1016,1017, 311, 312, 313, 315,
316, 317, 311, 312, 313, 315, 316, 317,
&end
#
# 0 AMB 10-2:2105 89 MET HN 4.50 (# 2105:10 Single Ambig)
&rst
ixpk= 2105, nxpk= 10, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1423,1424,1425,1427,1428,1429,1423,1424,1425,1427,
1428,1429,1459,1460,1461,1463,1464,1465,
&end
#
# 65 LEU MDY 63 GLU HN 7.00 (# 2106:10 Unique 3.36, 6.61 A)
&rst
ixpk= 2106, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 10-2:2107 0 AMB 10-1:2107 3.50 (# 2107:10 Double Ambig)
&rst
ixpk= 2107, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1440,1441,1500,
igr2=1433,1496,
&end
#
# 119 GLU HN 117 ASN HN 5.50 (# 2110:10 Unique 5.20, 5.44 A)
&rst
ixpk= 2110, nxpk= 10, iat=1932,1901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:2111 18 ILE HN 5.50 (# 2111:10 Single Ambig)
&rst
ixpk= 2111, nxpk= 10, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1268,1269,1227,1228,1227,1228,
&end
#
# 18 ILE QG2 76 TYR HN 5.50 (# 2112:10 Unique 3.41, 5.12 A)
&rst
ixpk= 2112, nxpk= 10, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 290, 291,
&end
#
# 43 ALA HN 41 GLN HN 5.50 (# 2113:10 Unique 4.86, 5.12 A)
&rst
ixpk= 2113, nxpk= 10, iat= 691, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ASN HA 110 GLU HN 7.00 (# 2114:10 Unique 3.86, 4.70 A)
&rst
ixpk= 2114, nxpk= 10, iat=1749,1777, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2115 65 LEU HN 7.00 (# 2115:10 Single Ambig)
&rst
ixpk= 2115, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 838, 839, 762, 763, 762, 763, 519, 520,
&end
#
# 0 AMB 10-2:2116 101 LEU HN 4.50 (# 2116:10 Single Ambig)
&rst
ixpk= 2116, nxpk= 10, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1560,1561,1669,1670,1669,1670,1765,1652,1653,1652,
1653,2222,2223,
&end
#
# 70 LYS HA 77 PHE HN 5.50 (# 2117:10 Unique 4.60, 5.25 A)
&rst
ixpk= 2117, nxpk= 10, iat=1131,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HA 7 GLU HN 7.00 (# 2119:10 Unique 2.86, 3.89 A)
&rst
ixpk= 2119, nxpk= 10, iat= 67, 103, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 78 TYR HH 49 PHE HN 7.00 (# 2120:10 Unique 2.80, 4.32 A)
&rst
ixpk= 2120, nxpk= 10, iat=1277, 791, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:2121 26 LEU HN 5.50 (# 2121:10 Single Ambig)
&rst
ixpk= 2121, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 425, 426, 388, 389, 388, 389,
&end
#
# 0 AMB 10-2:2123 143 VAL HN 4.50 (# 2123:10 Single Ambig)
&rst
ixpk= 2123, nxpk= 10, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2234,1609,
&end
#
# 51 LYS HN 53 HIS HN 7.00 (# 2124:10 Unique 3.33, 3.93 A)
&rst
ixpk= 2124, nxpk= 10, iat= 825, 861, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 45 GLU HA 48 ILE HN 4.50 (# 2125:10 Unique 2.51, 3.00 A)
&rst
ixpk= 2125, nxpk= 10, iat= 723, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:5 0 AMB 25-1:5 7.00 (# 5:25 Double Ambig)
&rst
ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=2114,2115,2128,
igr2= 502, 511, 170, 179,
&end
#
# 11 TYR HN 11 TYR HD 4.80 (# 6:25 Unique 2.02, 4.22 A)
&rst
ixpk= 6, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 170, 179,
&end
#
# 0 AMB 25-2:7 0 AMB 25-1:7 2.80 (# 7:25 Double Ambig)
&rst
ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1359,1364, 504, 509, 172, 177,
igr2= 170, 179, 502, 511,
&end
#
# 0 AMB 25-2:8 0 AMB 25-1:8 3.50 (# 8:25 Double Ambig)
&rst
ixpk= 8, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2121,2122, 134, 128,
igr2= 502, 511, 170, 179,
&end
#
# 0 AMB 25-2:9 0 AMB 25-1:9 3.50 (# 9:25 Double Ambig)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 166, 167, 498, 499,
igr2= 170, 179, 502, 511,
&end
#
# 0 AMB 25-2:10 0 AMB 25-1:10 3.50 (# 10:25 Double Ambig)
&rst
ixpk= 10, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 152, 153, 154, 156, 157, 158, 203, 204, 205, 207,
208, 209, 458, 459, 458, 459,2090,2091,2092,2094,
2095,2096,
igr2= 170, 179, 502, 511,
&end
#
# 0 AMB 25-2:11 84 TYR HD 7.00 (# 11:25 Single Ambig)
&rst
ixpk= 11, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1377,1378,1377,1378,
igr2=1357,1366,
&end
#
# 30 TYR HN 30 TYR HD 3.50 (# 12:25 Unique 1.83, 3.56 A)
&rst
ixpk= 12, nxpk= 25, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 481, 490,
&end
#
# 41 GLN HE2- 30 TYR HD 7.00 (# 13:25 Unique 1.93, 4.55 A)
&rst
ixpk= 13, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 664, 665,
igr2= 481, 490,
&end
#
# 30 TYR HE 30 TYR HD 2.80 (# 14:25 Unique 2.54, 3.76 A)
&rst
ixpk= 14, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 483, 488,
igr2= 481, 490,
&end
#
# 30 TYR HB+ 30 TYR HD 4.80 (# 15:25 Unique 2.31, 3.07 A)
&rst
ixpk= 15, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 477, 478,
igr2= 481, 490,
&end
#
# 0 AMB 25-2:16 30 TYR HD 3.50 (# 16:25 Single Ambig)
&rst
ixpk= 16, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 477, 478, 531, 532, 531, 532,
igr2= 481, 490,
&end
#
# 28 ALA MB 30 TYR HD 7.00 (# 17:25 Unique 3.03, 6.39 A)
&rst
ixpk= 17, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 445, 446, 447,
igr2= 481, 490,
&end
#
# 15 ALA MB 30 TYR HD 4.80 (# 18:25 Unique 2.16, 4.37 A)
&rst
ixpk= 18, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 239, 240, 241,
igr2= 481, 490,
&end
#
# 84 TYR HN 84 TYR HD 7.00 (# 20:25 Unique 1.91, 3.29 A)
&rst
ixpk= 20, nxpk= 25, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1357,1366,
&end
#
# 0 AMB 25-2:21 84 TYR HD 2.80 (# 21:25 Single Ambig)
&rst
ixpk= 21, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1359,1364, 172, 177,
igr2=1357,1366,
&end
#
# 82 SER HB- 84 TYR HD 7.00 (# 24:25 Unique 2.08, 5.86 A)
&rst
ixpk= 24, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1331,1332,
igr2=1357,1366,
&end
#
# 0 AMB 25-2:25 84 TYR HD 2.80 (# 25:25 Single Ambig)
&rst
ixpk= 25, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1353,1354, 166, 167,
igr2=1357,1366,
&end
#
# 0 AMB 25-2:26 84 TYR HD 2.80 (# 26:25 Single Ambig)
&rst
ixpk= 26, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1353,1354, 166, 167,
igr2=1357,1366,
&end
#
# 0 AMB 25-2:28 84 TYR HD 3.50 (# 28:25 Single Ambig)
&rst
ixpk= 28, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79, 80, 152, 153, 154, 156, 157, 158,
igr2=1357,1366,
&end
#
# 30 TYR HA 30 TYR HD 4.80 (# 30:25 Unique 2.64, 3.53 A)
&rst
ixpk= 30, nxpk= 25, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 481, 490,
&end
#
# 78 TYR HE 78 TYR HD 3.50 (# 31:25 Unique 2.54, 3.76 A)
&rst
ixpk= 31, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1274,1279,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:32 78 TYR HD 7.00 (# 32:25 Single Ambig)
&rst
ixpk= 32, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 268, 269, 271,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:33 78 TYR HD 3.50 (# 33:25 Single Ambig)
&rst
ixpk= 33, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1112,1113,1268,1269,
igr2=1272,1281,
&end
#
# 78 TYR HB- 78 TYR HD 4.80 (# 34:25 Unique 2.31, 3.07 A)
&rst
ixpk= 34, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1268,1269,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:35 78 TYR HD 2.80 (# 35:25 Single Ambig)
&rst
ixpk= 35, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:36 78 TYR HD 3.50 (# 36:25 Single Ambig)
&rst
ixpk= 36, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317, 273, 274, 275, 277, 278, 279,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:37 69 TYR HD 4.80 (# 37:25 Single Ambig)
&rst
ixpk= 37, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1108,1129,
igr2=1116,1125,
&end
#
# 69 TYR HA 69 TYR HD 7.00 (# 38:25 Unique 2.22, 4.13 A)
&rst
ixpk= 38, nxpk= 25, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1116,1125,
&end
#
# 0 AMB 25-2:39 69 TYR HD 4.80 (# 39:25 Single Ambig)
&rst
ixpk= 39, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1227,1228,1227,1228,1112,1113,
igr2=1116,1125,
&end
#
# 0 AMB 25-2:40 69 TYR HD 3.50 (# 40:25 Single Ambig)
&rst
ixpk= 40, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,1291,1292,1293,1295,1296,1297,
igr2=1116,1125,
&end
#
# 47 ASN HD2- 44 PHE HD 4.80 (# 41:25 Unique 1.93, 4.91 A)
&rst
ixpk= 41, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 767, 768,
igr2= 709, 717,
&end
#
# 45 GLU HN 44 PHE HD 7.00 (# 42:25 Unique 3.33, 4.61 A)
&rst
ixpk= 42, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 709, 717,
&end
#
# 17 LEU HB+ 78 TYR HD 4.80 (# 45:25 Unique 1.98, 5.23 A)
&rst
ixpk= 45, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 268, 269,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:47 0 AMB 25-1:47 7.00 (# 47:25 Double Ambig)
&rst
ixpk= 47, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.18, r4=15.68,
igr1=1052,1053,1054,1056,1057,1058,1136,1137, 659, 660,
659, 660, 967, 968, 969,1521,1522,1523,1525,1526,
1527,1139,1140, 960, 961, 962,
igr2= 561, 570,1116,1125,
&end
#
# 45 GLU HG- 44 PHE HD 7.00 (# 48:25 Unique 2.14, 5.07 A)
&rst
ixpk= 48, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 728, 729,
igr2= 709, 717,
&end
#
# 0 AMB 25-2:49 44 PHE HD 4.80 (# 49:25 Single Ambig)
&rst
ixpk= 49, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr1=1314,1315,1316,1052,1053,1054,1056,1057,1058, 239,
240, 241,
igr2= 709, 717,
&end
#
# 17 LEU MDX 44 PHE HD 7.00 (# 50:25 Unique 2.11, 6.16 A)
&rst
ixpk= 50, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 273, 274, 275, 277, 278, 279,
igr2= 709, 717,
&end
#
# 0 AMB 25-2:51 44 PHE HD 2.80 (# 51:25 Single Ambig)
&rst
ixpk= 51, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 767, 768, 711, 715,
igr2= 709, 717,
&end
#
# 30 TYR HE 44 PHE HD 4.80 (# 52:25 Unique 2.09, 5.50 A)
&rst
ixpk= 52, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 483, 488,
igr2= 709, 717,
&end
#
# 44 PHE HA 44 PHE HD 3.50 (# 53:25 Unique 2.20, 3.54 A)
&rst
ixpk= 53, nxpk= 25, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 709, 717,
&end
#
# 44 PHE HB+ 44 PHE HD 4.80 (# 54:25 Unique 2.29, 3.05 A)
&rst
ixpk= 54, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 705, 706,
igr2= 709, 717,
&end
#
# 0 AMB 25-2:55 44 PHE HD 3.50 (# 55:25 Single Ambig)
&rst
ixpk= 55, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 728, 729, 705, 706,
igr2= 709, 717,
&end
#
# 0 AMB 25-2:56 35 TYR HD 4.80 (# 56:25 Single Ambig)
&rst
ixpk= 56, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 711, 715, 481, 490,
igr2= 561, 570,
&end
#
# 30 TYR HE 35 TYR HD 7.00 (# 57:25 Unique 2.00, 6.19 A)
&rst
ixpk= 57, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 483, 488,
igr2= 561, 570,
&end
#
# 35 TYR HE 35 TYR HD 2.80 (# 58:25 Unique 2.54, 3.76 A)
&rst
ixpk= 58, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 563, 568,
igr2= 561, 570,
&end
#
# 35 TYR HA 35 TYR HD 4.80 (# 59:25 Unique 2.25, 3.74 A)
&rst
ixpk= 59, nxpk= 25, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 561, 570,
&end
#
# 0 AMB 25-2:60 35 TYR HD 4.80 (# 60:25 Single Ambig)
&rst
ixpk= 60, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 543, 654,
igr2= 561, 570,
&end
#
# 0 AMB 25-2:61 35 TYR HD 2.80 (# 61:25 Single Ambig)
&rst
ixpk= 61, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 557, 558, 644, 645,
igr2= 561, 570,
&end
#
# 34 THR MG2 35 TYR HD 4.80 (# 62:25 Unique 1.97, 5.24 A)
&rst
ixpk= 62, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 545, 546, 547,
igr2= 561, 570,
&end
#
# 0 AMB 25-2:63 35 TYR HD 3.50 (# 63:25 Single Ambig)
&rst
ixpk= 63, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 557, 558, 644, 645,
igr2= 561, 570,
&end
#
# 27 PHE HD 122 PHE HE 7.00 (# 65:25 Unique 1.98, 5.69 A)
&rst
ixpk= 65, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 429, 437,
igr2=1983,1987,
&end
#
# 118 MET ME 122 PHE HE 7.00 (# 66:25 Unique 2.52, 6.05 A)
&rst
ixpk= 66, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1926,1927,1928,
igr2=1983,1987,
&end
#
# 122 PHE HN 122 PHE HD 7.00 (# 67:25 Unique 2.27, 3.84 A)
&rst
ixpk= 67, nxpk= 25, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1981,1989,
&end
#
# 27 PHE HD 122 PHE HD 7.00 (# 69:25 Unique 2.33, 6.53 A)
&rst
ixpk= 69, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 429, 437,
igr2=1981,1989,
&end
#
# 122 PHE HA 122 PHE HD 7.00 (# 70:25 Unique 2.18, 3.37 A)
&rst
ixpk= 70, nxpk= 25, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1981,1989,
&end
#
# 119 GLU HA 122 PHE HD 7.00 (# 71:25 Unique 2.13, 4.30 A)
&rst
ixpk= 71, nxpk= 25, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1981,1989,
&end
#
# 0 AMB 25-2:72 122 PHE HD 7.00 (# 72:25 Single Ambig)
&rst
ixpk= 72, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1977,1978,1977,1978,
igr2=1981,1989,
&end
#
# 118 MET ME 122 PHE HD 7.00 (# 73:25 Unique 2.98, 6.66 A)
&rst
ixpk= 73, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1926,1927,1928,
igr2=1981,1989,
&end
#
# 121 LEU HG 122 PHE HD 4.80 (# 74:25 Unique 1.99, 4.30 A)
&rst
ixpk= 74, nxpk= 25, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1981,1989,
&end
#
# 77 PHE HB- 77 PHE HD 4.80 (# 75:25 Unique 2.30, 3.05 A)
&rst
ixpk= 75, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1248,1249,
igr2=1252,1260,
&end
#
# 103 GLN HE2+ 98 PHE HE 7.00 (# 76:25 Unique 6.35, 8.14 A)
&rst
ixpk= 76, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1660,1661,
igr2=1585,1589,
&end
#
# 0 AMB 25-2:77 77 PHE HD 7.00 (# 77:25 Single Ambig)
&rst
ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1248,1249,1579,1580,
igr2=1252,1260,
&end
#
# 0 AMB 25-2:78 77 PHE HD 2.80 (# 78:25 Single Ambig)
&rst
ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1139,1140,1136,1137,1136,1137,1565,1566,1567,1569,
1570,1571,1565,1566,1567,1569,1570,1571,
igr2=1252,1260,
&end
#
# 98 PHE HD 98 PHE HE 2.80 (# 79:25 Unique 2.51, 3.72 A)
&rst
ixpk= 79, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1583,1591,
igr2=1585,1589,
&end
#
# 50 ASN HN 49 PHE HD 7.00 (# 83:25 Unique 2.78, 4.66 A)
&rst
ixpk= 83, nxpk= 25, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 799, 807,
&end
#
# 49 PHE HE 49 PHE HD 4.80 (# 84:25 Unique 2.51, 3.72 A)
&rst
ixpk= 84, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 801, 805,
igr2= 799, 807,
&end
#
# 0 AMB 25-2:85 49 PHE HD 4.80 (# 85:25 Single Ambig)
&rst
ixpk= 85, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 865, 866, 795, 796, 795, 796,
igr2= 799, 807,
&end
#
# 0 AMB 25-2:86 49 PHE HD 7.00 (# 86:25 Single Ambig)
&rst
ixpk= 86, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 311, 312, 313, 315, 316, 317, 311, 312, 313, 315,
316, 317,
igr2= 799, 807,
&end
#
# 0 AMB 25-2:88 98 PHE HD 2.80 (# 88:25 Single Ambig)
&rst
ixpk= 88, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1585,1589,1252,1260,
igr2=1583,1591,
&end
#
# 44 PHE HD 44 PHE HE 2.80 (# 92:25 Unique 2.51, 3.72 A)
&rst
ixpk= 92, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 709, 717,
igr2= 711, 715,
&end
#
# 0 AMB 25-2:93 44 PHE HE 7.00 (# 93:25 Single Ambig)
&rst
ixpk= 93, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1025,1026,1028,1029, 728, 729,
igr2= 711, 715,
&end
#
# 48 ILE QD1 44 PHE HE 4.80 (# 94:25 Unique 1.99, 4.28 A)
&rst
ixpk= 94, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 785, 786, 787,
igr2= 711, 715,
&end
#
# 30 TYR HE 44 PHE HE 7.00 (# 95:25 Unique 2.37, 6.34 A)
&rst
ixpk= 95, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 483, 488,
igr2= 711, 715,
&end
#
# 80 ILE QG2 44 PHE HE 4.80 (# 96:25 Unique 3.05, 5.36 A)
&rst
ixpk= 96, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1307,1308,1309,
igr2= 711, 715,
&end
#
# 0 AMB 25-2:97 44 PHE HE 2.80 (# 97:25 Single Ambig)
&rst
ixpk= 97, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1052,1053,1054,1056,1057,1058,1314,1315,1316,
igr2= 711, 715,
&end
#
# 0 AMB 25-2:98 44 PHE HE 7.00 (# 98:25 Single Ambig)
&rst
ixpk= 98, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 273, 274, 275, 277, 278, 279,1011,1012,1013,1015,
1016,1017,
igr2= 711, 715,
&end
#
# 17 LEU MDX 44 PHE HE 4.80 (# 99:25 Unique 1.99, 5.98 A)
&rst
ixpk= 99, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 273, 274, 275, 277, 278, 279,
igr2= 711, 715,
&end
#
# 0 AMB 25-2:103 77 PHE HE 2.80 (# 103:25 Single Ambig)
&rst
ixpk= 103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1252,1260,1585,1589,
igr2=1254,1258,
&end
#
# 0 AMB 25-2:104 77 PHE HE 2.80 (# 104:25 Single Ambig)
&rst
ixpk= 104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1857,1858,1859,1861,1862,1863,1627,1628,1629,1631,
1632,1633,1767,1768,1769,1771,1772,1773,1139,1140,
igr2=1254,1258,
&end
#
# 0 AMB 25-2:105 77 PHE HE 3.50 (# 105:25 Single Ambig)
&rst
ixpk= 105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1213,1214,1215,1217,1218,1219,1213,1214,1215,1217,
1218,1219, 296, 297, 298,1211,1627,1628,1629,1631,
1632,1633,
igr2=1254,1258,
&end
#
# 70 LYS HG+ 77 PHE HE 3.50 (# 109:25 Unique 2.41, 6.06 A)
&rst
ixpk= 109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1136,1137,
igr2=1254,1258,
&end
#
# 0 AMB 25-2:127 84 TYR HE 2.80 (# 127:25 Single Ambig)
&rst
ixpk= 127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 170, 179,1357,1366,
igr2=1359,1364,
&end
#
# 0 AMB 25-2:130 84 TYR HE 4.80 (# 130:25 Single Ambig)
&rst
ixpk= 130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 166, 167,1353,1354,
igr2=1359,1364,
&end
#
# 0 AMB 25-2:131 84 TYR HE 4.80 (# 131:25 Single Ambig)
&rst
ixpk= 131, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr1= 78, 79, 80, 71, 72, 73, 152, 153, 154, 156,
157, 158,
igr2=1359,1364,
&end
#
# 0 AMB 25-2:132 0 AMB 25-1:132 2.80 (# 132:25 Double Ambig)
&rst
ixpk= 132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 502, 511, 170, 179,1357,1366,
igr2= 504, 509, 172, 177,
&end
#
# 0 AMB 25-2:134 11 TYR HE 4.80 (# 134:25 Single Ambig)
&rst
ixpk= 134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 134,2121,2122,
igr2= 172, 177,
&end
#
# 0 AMB 25-2:135 0 AMB 25-1:135 4.80 (# 135:25 Double Ambig)
&rst
ixpk= 135, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr1=1353,1354, 464, 465, 519, 520,
igr2= 172, 177, 504, 509,
&end
#
# 0 AMB 25-2:136 0 AMB 25-1:136 4.80 (# 136:25 Double Ambig)
&rst
ixpk= 136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
igr1= 464, 465, 519, 520, 498, 499, 166, 167,1389,1390,
igr2= 504, 509, 172, 177,
&end
#
# 0 AMB 25-2:137 11 TYR HE 7.00 (# 137:25 Single Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 122, 123, 122, 123,
igr2= 172, 177,
&end
#
# 0 AMB 25-2:138 0 AMB 25-1:138 7.00 (# 138:25 Double Ambig)
&rst
ixpk= 138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 461, 462, 220, 221,
igr2= 504, 509, 172, 177,
&end
#
# 44 PHE HD 35 TYR HE 7.00 (# 147:25 Unique 2.17, 5.40 A)
&rst
ixpk= 147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 709, 717,
igr2= 563, 568,
&end
#
# 44 PHE HE 35 TYR HE 7.00 (# 148:25 Unique 2.19, 6.00 A)
&rst
ixpk= 148, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 711, 715,
igr2= 563, 568,
&end
#
# 35 TYR HD 35 TYR HE 2.80 (# 149:25 Unique 2.54, 3.76 A)
&rst
ixpk= 149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 561, 570,
igr2= 563, 568,
&end
#
# 0 AMB 25-2:152 35 TYR HE 7.00 (# 152:25 Single Ambig)
&rst
ixpk= 152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 555, 529,
igr2= 563, 568,
&end
#
# 0 AMB 25-2:153 35 TYR HE 7.00 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 641, 642,1025,1026, 557, 558,
igr2= 563, 568,
&end
#
# 65 LEU MDY 35 TYR HE 3.50 (# 154:25 Unique 2.14, 6.51 A)
&rst
ixpk= 154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1052,1053,1054,1056,1057,1058,
igr2= 563, 568,
&end
#
# 34 THR MG2 35 TYR HE 4.80 (# 155:25 Unique 2.09, 5.19 A)
&rst
ixpk= 155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 545, 546, 547,
igr2= 563, 568,
&end
#
# 19 LEU HB+ 78 TYR HE 7.00 (# 156:25 Unique 1.96, 5.60 A)
&rst
ixpk= 156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 306, 307,
igr2=1274,1279,
&end
#
# 0 AMB 25-2:157 78 TYR HE 7.00 (# 157:25 Single Ambig)
&rst
ixpk= 157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
1087,1088,
igr2=1274,1279,
&end
#
# 0 AMB 25-2:158 78 TYR HE 2.80 (# 158:25 Single Ambig)
&rst
ixpk= 158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 853, 854, 855, 311, 312, 313, 315, 316, 317, 311,
312, 313, 315, 316, 317,
igr2=1274,1279,
&end
#
# 0 AMB 25-2:160 78 TYR HE 3.50 (# 160:25 Single Ambig)
&rst
ixpk= 160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1227,1228,1227,1228,1112,1113,
igr2=1274,1279,
&end
#
# 19 LEU HG 78 TYR HE 7.00 (# 161:25 Unique 1.99, 4.92 A)
&rst
ixpk= 161, nxpk= 25, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1274,1279,
&end
#
# 48 ILE QG2 78 TYR HE 7.00 (# 162:25 Unique 1.98, 3.92 A)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 778, 779, 780,
igr2=1274,1279,
&end
#
# 78 TYR HD 78 TYR HE 4.80 (# 163:25 Unique 2.54, 3.76 A)
&rst
ixpk= 163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1272,1281,
igr2=1274,1279,
&end
#
# 44 PHE HD 30 TYR HE 7.00 (# 164:25 Unique 2.09, 5.50 A)
&rst
ixpk= 164, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 709, 717,
igr2= 483, 488,
&end
#
# 0 AMB 25-2:165 30 TYR HE 3.50 (# 165:25 Single Ambig)
&rst
ixpk= 165, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 711, 715, 481, 490,
igr2= 483, 488,
&end
#
# 28 ALA MB 30 TYR HE 4.80 (# 168:25 Unique 2.25, 5.92 A)
&rst
ixpk= 168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 445, 446, 447,
igr2= 483, 488,
&end
#
# 17 LEU MDY 30 TYR HE 7.00 (# 169:25 Unique 1.97, 4.65 A)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 273, 274, 275, 277, 278, 279,
igr2= 483, 488,
&end
#
# 0 AMB 25-2:170 30 TYR HE 7.00 (# 170:25 Single Ambig)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 239, 240, 241,1314,1315,1316,
igr2= 483, 488,
&end
#
# 0 AMB 25-2:174 11 TYR HD 7.00 (# 174:25 Single Ambig)
&rst
ixpk= 174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=1444,1445,1446, 122, 123,
igr2= 170, 179,
&end
#
# 0 AMB 25-2:175 11 TYR HD 7.00 (# 175:25 Single Ambig)
&rst
ixpk= 175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 147, 148, 147, 148,
igr2= 170, 179,
&end
#
# 35 TYR HD 30 TYR HD 7.00 (# 177:25 Unique 3.60, 7.13 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 561, 570,
igr2= 481, 490,
&end
#
# 19 LEU HG 78 TYR HD 7.00 (# 179:25 Unique 2.05, 5.10 A)
&rst
ixpk= 179, nxpk= 25, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1272,1281,
&end
#
# 60 ALA MB 69 TYR HD 7.00 (# 180:25 Unique 2.22, 5.51 A)
&rst
ixpk= 180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 977, 978, 979,
igr2=1116,1125,
&end
#
# 68 VAL HA 69 TYR HD 7.00 (# 181:25 Unique 3.07, 5.24 A)
&rst
ixpk= 181, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1116,1125,
&end
#
# 78 TYR HA 78 TYR HD 7.00 (# 182:25 Unique 2.04, 3.51 A)
&rst
ixpk= 182, nxpk= 25, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1272,1281,
&end
#
# 78 TYR HN 78 TYR HD 4.80 (# 183:25 Unique 2.18, 4.07 A)
&rst
ixpk= 183, nxpk= 25, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1272,1281,
&end
#
# 0 AMB 25-2:184 122 PHE HE 7.00 (# 184:25 Single Ambig)
&rst
ixpk= 184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
igr1=1961,1857,1858,1859,1861,1862,1863,
igr2=1983,1987,
&end
#
# 0 AMB 25-2:186 122 PHE HE 7.00 (# 186:25 Single Ambig)
&rst
ixpk= 186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1977,1978,1977,1978,
igr2=1983,1987,
&end
#
# 119 GLU HA 122 PHE HE 7.00 (# 187:25 Unique 4.26, 5.93 A)
&rst
ixpk= 187, nxpk= 25, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1983,1987,
&end
#
# 0 AMB 25-2:188 122 PHE HE 7.00 (# 188:25 Single Ambig)
&rst
ixpk= 188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1975, 453,1869,
igr2=1983,1987,
&end
#
# 121 LEU MDX 122 PHE HD 7.00 (# 190:25 Unique 2.63, 6.10 A)
&rst
ixpk= 190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1963,1964,1965,1967,1968,1969,
igr2=1981,1989,
&end
#
# 77 PHE HN 77 PHE HD 4.80 (# 191:25 Unique 1.90, 3.69 A)
&rst
ixpk= 191, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1252,1260,
&end
#
# 98 PHE HB+ 98 PHE HD 7.00 (# 193:25 Unique 2.29, 3.06 A)
&rst
ixpk= 193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1579,1580,
igr2=1583,1591,
&end
#
# 49 PHE HA 49 PHE HD 7.00 (# 195:25 Unique 2.31, 3.53 A)
&rst
ixpk= 195, nxpk= 25, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 799, 807,
&end
#
# 16 ILE QG2 27 PHE HD 7.00 (# 198:25 Unique 1.99, 5.27 A)
&rst
ixpk= 198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 251, 252, 253,
igr2= 429, 437,
&end
#
# 0 AMB 25-2:199 27 PHE HD 7.00 (# 199:25 Single Ambig)
&rst
ixpk= 199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 425, 426, 464, 465,
igr2= 429, 437,
&end
#
# 80 ILE HG1- 44 PHE HE 7.00 (# 203:25 Unique 2.02, 5.08 A)
&rst
ixpk= 203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1311,1312,
igr2= 711, 715,
&end
#
# 0 AMB 25-2:215 84 TYR HE 7.00 (# 215:25 Single Ambig)
&rst
ixpk= 215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 75, 76, 189, 190, 191,
igr2=1359,1364,
&end
#
# 35 TYR HN 35 TYR HD 4.80 (# 220:25 Unique 1.69, 3.90 A)
&rst
ixpk= 220, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 561, 570,
&end
#
# 0 AMB 25-2:221 44 PHE HE 7.00 (# 221:25 Single Ambig)
&rst
ixpk= 221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1025,1026,1028,1029, 728, 729,
igr2= 711, 715,
&end
#
# 27 PHE HE 27 PHE HD 7.00 (# 223:25 Unique 2.51, 3.72 A)
&rst
ixpk= 223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 431, 435,
igr2= 429, 437,
&end
#
# 78 TYR HD 78 TYR HE 3.50 (# 225:25 Unique 2.54, 3.76 A)
&rst
ixpk= 225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1272,1281,
igr2=1274,1279,
&end
#
# 14 LYS HA 11 TYR HE 7.00 (# 226:25 Unique 2.57,11.30 A)
&rst
ixpk= 226, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 172, 177,
&end
#
# 0 AMB 25-2:227 0 AMB 25-1:227 7.00 (# 227:25 Double Ambig)
&rst
ixpk= 227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.47, r4=12.97,
igr1= 75, 76, 455, 456, 147, 148, 147, 148,
igr2= 172, 177, 504, 509,
&end
#
# 0 AMB 25-2:228 35 TYR HE 7.00 (# 228:25 Single Ambig)
&rst
ixpk= 228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1=1028,1029, 641, 642, 728, 729,1025,1026,
igr2= 563, 568,
&end
#
# 44 PHE HB- 35 TYR HE 7.00 (# 229:25 Unique 1.99, 5.30 A)
&rst
ixpk= 229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 705, 706,
igr2= 563, 568,
&end
#
# 30 TYR HH 30 TYR HE 4.80 (# 235:25 Unique 2.15, 2.87 A)
&rst
ixpk= 235, nxpk= 25, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 483, 488,
&end
#
# 0 AMB 25-2:236 0 AMB 25-1:236 3.50 (# 236:25 Double Ambig)
&rst
ixpk= 236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 166, 167, 498, 499, 464, 465,
igr2= 170, 179, 502, 511,
&end
#
# 0 AMB 25-2:237 27 PHE HD 7.00 (# 237:25 Single Ambig)
&rst
ixpk= 237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1963,1964,1965,1967,1968,1969, 296, 297, 298,
igr2= 429, 437,
&end
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