# # 26 ALA QB 27 ARG+ HN 6.52 (#peak 454) &rst ixpk= 454, nxpk= 0, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr1= 8, 9, 10, &end # # 26 ALA QB 28 GLU- HN 6.52 (#peak 457) &rst ixpk= 457, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 8, 9, 10, &end # # 27 ARG+ HN 27 ARG+ QB 3.28 (#peak 679) &rst ixpk= 679, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 18, 19, &end # # 27 ARG+ HN 27 ARG+ QD 4.12 (#peak 678) &rst ixpk= 678, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 24, 25, &end # # 27 ARG+ QB 28 GLU- HN 4.55 (#peak 1139) &rst ixpk= 1139, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 18, 19, &end # # 27 ARG+ QD 28 GLU- HN 3.90 (#peak 969) &rst ixpk= 969, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 24, 25, &end # # 27 ARG+ QG 28 GLU- HN 2.39 (#peak 461) &rst ixpk= 461, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr1= 21, 22, &end # # 28 GLU- HN 28 GLU- QB 3.28 (#peak 458) &rst ixpk= 458, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 42, 43, &end # # 28 GLU- HN 28 GLU- QG 6.38 (#peak 138) &rst ixpk= 138, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 45, 46, &end # # 28 GLU- HN 29 GLU- HN 2.40 (#peak 870) &rst ixpk= 870, nxpk= 0, iat= 38, 53, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 29 GLU- HN 29 GLU- HA 2.75 (#peak 653) &rst ixpk= 653, nxpk= 0, iat= 53, 55, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end # # 29 GLU- HN 29 GLU- QB 3.28 (#peak 872) &rst ixpk= 872, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 57, 58, &end # # 29 GLU- HN 29 GLU- QG 6.38 (#peak 874) &rst ixpk= 874, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 60, 61, &end # # 29 GLU- HN 30 LEU QB 5.34 (#peak 813) &rst ixpk= 813, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 72, 73, &end # # 29 GLU- QB 30 LEU HN 3.71 (#peak 365) &rst ixpk= 365, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 57, 58, &end # # 30 LEU HG 34 LEU HG 2.40 (#peak 457) &rst ixpk= 457, nxpk= 0, iat= 75, 166, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 30 LEU HG 85 VAL QQG 6.42 (#peak 1069) &rst ixpk= 1069, nxpk= 0, iat= 75, 967, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 30 LEU HN 30 LEU HG 5.50 (#peak 456) &rst ixpk= 456, nxpk= 0, iat= 68, 75, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 LEU HN 30 LEU QB 2.42 (#peak 367) &rst ixpk= 367, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, igr2= 72, 73, &end # # 30 LEU HN 30 LEU QQD 3.62 (#peak 366) &rst ixpk= 366, nxpk= 0, iat= 68, 74, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 30 LEU HN 31 ARG+ HN 2.43 (#peak 361) &rst ixpk= 361, nxpk= 0, iat= 68, 87, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end # # 30 LEU HN 32 ARG+ QD 5.48 (#peak 364) &rst ixpk= 364, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 121, 122, &end # # 30 LEU QQD 31 ARG+ HN 3.41 (#peak 206) &rst ixpk= 206, nxpk= 0, iat= 74, 87, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 30 LEU QQD 32 ARG+ HN 4.25 (#peak 781) &rst ixpk= 781, nxpk= 0, iat= 74, 111, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 30 LEU QQD 33 ARG+ HN 3.93 (#peak 844) &rst ixpk= 844, nxpk= 0, iat= 74, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 30 LEU QQD 33 ARG+ QB 3.36 (#peak 937) &rst ixpk= 937, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 139, 140, &end # # 30 LEU QQD 33 ARG+ QD 4.55 (#peak 442) &rst ixpk= 442, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2= 145, 146, &end # # 30 LEU QQD 34 LEU HG 3.41 (#peak 1149) &rst ixpk= 1149, nxpk= 0, iat= 74, 166, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 30 LEU QQD 34 LEU QQD 4.38 (#peak 949) &rst ixpk= 949, nxpk= 0, iat= 74, 165, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 30 LEU QQD 81 SER QB 3.04 (#peak 891) &rst ixpk= 891, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 909, 910, &end # # 30 LEU QQD 82 VAL HA 3.41 (#peak 322) &rst ixpk= 322, nxpk= 0, iat= 74, 918, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 30 LEU QQD 82 VAL HB 3.41 (#peak 893) &rst ixpk= 893, nxpk= 0, iat= 74, 920, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 30 LEU QQD 82 VAL QQG 3.69 (#peak 328) &rst ixpk= 328, nxpk= 0, iat= 74, 919, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 30 LEU QQD 85 VAL HB 3.41 (#peak 414) &rst ixpk= 414, nxpk= 0, iat= 74, 968, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 30 LEU QQD 85 VAL QQG 4.38 (#peak 1066) &rst ixpk= 1066, nxpk= 0, iat= 74, 967, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 30 LEU QQD 86 LEU HA 4.80 (#peak 365) &rst ixpk= 365, nxpk= 0, iat= 74, 982, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 30 LEU QQD 86 LEU QB 4.20 (#peak 169) &rst ixpk= 169, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 984, 985, &end # # 31 ARG+ HA 34 LEU QB 4.44 (#peak 658) &rst ixpk= 658, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 163, 164, &end # # 31 ARG+ HA 34 LEU QQD 3.41 (#peak 660) &rst ixpk= 660, nxpk= 0, iat= 89, 165, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 31 ARG+ HA 85 VAL QQG 3.41 (#peak 662) &rst ixpk= 662, nxpk= 0, iat= 89, 967, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 31 ARG+ HG2 85 VAL QG1 3.42 (#peak 1253) &rst ixpk= 1253, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 970, 971, 972, &end # # 31 ARG+ HG2 85 VAL QG2 3.42 (#peak 656) &rst ixpk= 656, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 974, 975, 976, &end # # 31 ARG+ HG3 85 VAL QG1 3.42 (#peak 1251) &rst ixpk= 1251, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 970, 971, 972, &end # # 31 ARG+ HG3 85 VAL QG2 3.42 (#peak 140) &rst ixpk= 140, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 974, 975, 976, &end # # 31 ARG+ HN 31 ARG+ HA 2.75 (#peak 203) &rst ixpk= 203, nxpk= 0, iat= 87, 89, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end # # 31 ARG+ HN 31 ARG+ QB 3.28 (#peak 204) &rst ixpk= 204, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 91, 92, &end # # 31 ARG+ HN 31 ARG+ QD 4.52 (#peak 199) &rst ixpk= 199, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 97, 98, &end # # 31 ARG+ HN 31 ARG+ QG 3.35 (#peak 197) &rst ixpk= 197, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 94, 95, &end # # 31 ARG+ HN 32 ARG+ HN 4.29 (#peak 205) &rst ixpk= 205, nxpk= 0, iat= 87, 111, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 31 ARG+ QB 81 SER QB 6.37 (#peak 971) &rst ixpk= 971, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 91, 92, igr2= 909, 910, &end # # 31 ARG+ QB 85 VAL QQG 4.79 (#peak 973) &rst ixpk= 973, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 91, 92, &end # # 31 ARG+ QD 85 VAL QQG 4.96 (#peak 331) &rst ixpk= 331, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 97, 98, &end # # 31 ARG+ QG 85 VAL HB 3.59 (#peak 655) &rst ixpk= 655, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 94, 95, &end # # 32 ARG+ HN 32 ARG+ QD 3.28 (#peak 462) &rst ixpk= 462, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 121, 122, &end # # 32 ARG+ HN 33 ARG+ HN 2.40 (#peak 786) &rst ixpk= 786, nxpk= 0, iat= 111, 135, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 32 ARG+ HN 34 LEU HG 5.50 (#peak 784) &rst ixpk= 784, nxpk= 0, iat= 111, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ARG+ HN 33 ARG+ QB 2.39 (#peak 841) &rst ixpk= 841, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 139, 140, &end # # 33 ARG+ HN 33 ARG+ QD 6.38 (#peak 845) &rst ixpk= 845, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 145, 146, &end # # 33 ARG+ HN 33 ARG+ QG 6.38 (#peak 843) &rst ixpk= 843, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 142, 143, &end # # 33 ARG+ HN 34 LEU HG 3.62 (#peak 847) &rst ixpk= 847, nxpk= 0, iat= 135, 166, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 33 ARG+ QB 34 LEU HN 2.63 (#peak 664) &rst ixpk= 664, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, igr1= 139, 140, &end # # 34 LEU HA 37 LEU QB 2.69 (#peak 314) &rst ixpk= 314, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, igr2= 218, 219, &end # # 34 LEU HB2 89 ILE QD1 3.42 (#peak 292) &rst ixpk= 292, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1041,1042,1043, &end # # 34 LEU HB3 89 ILE QD1 3.42 (#peak 1109) &rst ixpk= 1109, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1041,1042,1043, &end # # 34 LEU HG 82 VAL QQG 6.42 (#peak 400) &rst ixpk= 400, nxpk= 0, iat= 166, 919, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 34 LEU HG 85 VAL QQG 6.42 (#peak 625) &rst ixpk= 625, nxpk= 0, iat= 166, 967, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 34 LEU HN 34 LEU QB 2.60 (#peak 661) &rst ixpk= 661, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, igr2= 163, 164, &end # # 34 LEU HN 34 LEU QQD 3.40 (#peak 665) &rst ixpk= 665, nxpk= 0, iat= 159, 165, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 34 LEU HN 35 ARG+ HN 2.59 (#peak 334) &rst ixpk= 334, nxpk= 0, iat= 159, 178, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end # # 34 LEU HN 35 ARG+ QD 5.64 (#peak 662) &rst ixpk= 662, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 188, 189, &end # # 34 LEU QB 35 ARG+ HA 4.47 (#peak 629) &rst ixpk= 629, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 163, 164, &end # # 34 LEU QB 35 ARG+ HN 3.26 (#peak 335) &rst ixpk= 335, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 163, 164, &end # # 34 LEU QQD 35 ARG+ HN 3.99 (#peak 337) &rst ixpk= 337, nxpk= 0, iat= 165, 178, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 34 LEU QQD 46 PHE HZ 3.41 (#peak 4) &rst ixpk= 4, nxpk= 0, iat= 165, 376, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 34 LEU QQD 46 PHE HD 5.49 (#peak 36) &rst ixpk= 36, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 372, 380, &end # # 34 LEU QQD 82 VAL HA 3.41 (#peak 940) &rst ixpk= 940, nxpk= 0, iat= 165, 918, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 34 LEU QQD 82 VAL HB 6.42 (#peak 947) &rst ixpk= 947, nxpk= 0, iat= 165, 920, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 34 LEU QQD 82 VAL QQG 4.38 (#peak 405) &rst ixpk= 405, nxpk= 0, iat= 165, 919, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 34 LEU QQD 85 VAL HB 6.42 (#peak 413) &rst ixpk= 413, nxpk= 0, iat= 165, 968, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 34 LEU QQD 85 VAL QQG 4.38 (#peak 950) &rst ixpk= 950, nxpk= 0, iat= 165, 967, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 34 LEU QQD 86 LEU HA 3.41 (#peak 941) &rst ixpk= 941, nxpk= 0, iat= 165, 982, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 34 LEU QQD 86 LEU QB 3.27 (#peak 939) &rst ixpk= 939, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 984, 985, &end # # 34 LEU QQD 89 ILE QD1 6.35 (#peak 829) &rst ixpk= 829, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2=1041,1042,1043, &end # # 35 ARG+ HN 35 ARG+ QB 3.28 (#peak 329) &rst ixpk= 329, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 182, 183, &end # # 35 ARG+ HN 35 ARG+ QD 5.08 (#peak 331) &rst ixpk= 331, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 188, 189, &end # # 35 ARG+ HN 35 ARG+ QG 3.75 (#peak 332) &rst ixpk= 332, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 185, 186, &end # # 35 ARG+ QB 36 ASP- HN 3.28 (#peak 434) &rst ixpk= 434, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1= 182, 183, &end # # 35 ARG+ QD 89 ILE QD1 4.86 (#peak 827) &rst ixpk= 827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 188, 189, igr2=1041,1042,1043, &end # # 35 ARG+ QD 89 ILE QG2 4.83 (#peak 1186) &rst ixpk= 1186, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 188, 189, igr2=1034,1035,1036, &end # # 35 ARG+ QG 36 ASP- HN 6.38 (#peak 436) &rst ixpk= 436, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 185, 186, &end # # 36 ASP- HB2 37 LEU HN 3.14 (#peak 440) &rst ixpk= 440, nxpk= 0, iat= 206, 214, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 36 ASP- HB3 37 LEU HN 3.14 (#peak 447) &rst ixpk= 447, nxpk= 0, iat= 207, 214, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 36 ASP- HN 36 ASP- QB 2.39 (#peak 435) &rst ixpk= 435, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 206, 207, &end # # 36 ASP- HN 37 LEU HN 2.40 (#peak 444) &rst ixpk= 444, nxpk= 0, iat= 202, 214, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 36 ASP- QB 37 LEU HN 2.47 (#peak 440) &rst ixpk= 440, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, igr1= 206, 207, &end # # 37 LEU HA 41 ASN QD2 2.87 (#peak 327) &rst ixpk= 327, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr2= 283, 284, &end # # 37 LEU HN 37 LEU HA 2.75 (#peak 446) &rst ixpk= 446, nxpk= 0, iat= 214, 216, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end # # 37 LEU HN 37 LEU QB 2.38 (#peak 448) &rst ixpk= 448, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, igr2= 218, 219, &end # # 37 LEU HN 37 LEU QQD 3.38 (#peak 445) &rst ixpk= 445, nxpk= 0, iat= 214, 220, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 37 LEU QB 38 ILE QD1 3.60 (#peak 954) &rst ixpk= 954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 218, 219, igr2= 246, 247, 248, &end # # 37 LEU QD1 41 ASN HD21 5.28 (#peak 794) &rst ixpk= 794, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 223, 224, 225, &end # # 37 LEU QD1 41 ASN HD22 5.28 (#peak 798) &rst ixpk= 798, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 223, 224, 225, &end # # 37 LEU QD1 69 ASN HN 6.52 (#peak 153) &rst ixpk= 153, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 223, 224, 225, &end # # 37 LEU QD2 41 ASN HD21 5.28 (#peak 325) &rst ixpk= 325, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 227, 228, 229, &end # # 37 LEU QD2 41 ASN HD22 5.28 (#peak 311) &rst ixpk= 311, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 227, 228, 229, &end # # 37 LEU QD2 69 ASN HN 6.52 (#peak 149) &rst ixpk= 149, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 227, 228, 229, &end # # 37 LEU QQD 38 ILE HN 4.29 (#peak 187) &rst ixpk= 187, nxpk= 0, iat= 220, 233, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 37 LEU QQD 41 ASN QD2 3.03 (#peak 311) &rst ixpk= 311, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr2= 283, 284, &end # # 37 LEU QQD 46 PHE HZ 3.74 (#peak 302) &rst ixpk= 302, nxpk= 0, iat= 220, 376, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 37 LEU QQD 46 PHE HD 8.44 (#peak 28) &rst ixpk= 28, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97, igr2= 372, 380, &end # # 37 LEU QQD 69 ASN QB 3.19 (#peak 797) &rst ixpk= 797, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 737, 738, &end # # 38 ILE HA 39 GLU- HN 3.48 (#peak 673) &rst ixpk= 673, nxpk= 0, iat= 235, 252, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 38 ILE HB 39 GLU- HN 3.00 (#peak 669) &rst ixpk= 669, nxpk= 0, iat= 237, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 38 ILE HB 40 GLY HN 5.50 (#peak 132) &rst ixpk= 132, nxpk= 0, iat= 237, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 ILE HN 38 ILE HA 2.71 (#peak 188) &rst ixpk= 188, nxpk= 0, iat= 233, 235, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end # # 38 ILE HN 38 ILE HB 2.40 (#peak 186) &rst ixpk= 186, nxpk= 0, iat= 233, 237, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 38 ILE HN 38 ILE QD1 3.42 (#peak 190) &rst ixpk= 190, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 246, 247, 248, &end # # 38 ILE HN 38 ILE QG1 6.38 (#peak 192) &rst ixpk= 192, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 243, 244, &end # # 38 ILE HN 39 GLU- HN 2.40 (#peak 670) &rst ixpk= 670, nxpk= 0, iat= 233, 252, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 38 ILE HN 41 ASN HN 5.50 (#peak 850) &rst ixpk= 850, nxpk= 0, iat= 233, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 ILE QD1 46 PHE HE 5.55 (#peak 952) &rst ixpk= 952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 246, 247, 248, igr2= 374, 378, &end # # 38 ILE QD1 99 PHE HZ 6.12 (#peak 95) &rst ixpk= 95, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 246, 247, 248, &end # # 38 ILE QG1 46 PHE HZ 6.38 (#peak 1116) &rst ixpk= 1116, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 243, 244, &end # # 38 ILE QG1 46 PHE HE 6.78 (#peak 1117) &rst ixpk= 1117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 243, 244, igr2= 374, 378, &end # # 38 ILE QG1 99 PHE HZ 6.38 (#peak 1119) &rst ixpk= 1119, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 243, 244, &end # # 38 ILE QG2 46 PHE HZ 6.52 (#peak 5) &rst ixpk= 5, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 239, 240, 241, &end # # 38 ILE QG2 99 PHE HD 8.65 (#peak 1300) &rst ixpk= 1300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16, igr1= 239, 240, 241, igr2=1196,1204, &end # # 39 GLU- HA 41 ASN HN 3.70 (#peak 958) &rst ixpk= 958, nxpk= 0, iat= 254, 274, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 39 GLU- HA 102 LYS+ QG 2.39 (#peak 957) &rst ixpk= 957, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1245,1246, &end # # 39 GLU- HN 39 GLU- QB 3.28 (#peak 671) &rst ixpk= 671, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 256, 257, &end # # 39 GLU- HN 39 GLU- QG 4.43 (#peak 674) &rst ixpk= 674, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 259, 260, &end # # 39 GLU- HN 40 GLY HN 2.40 (#peak 341) &rst ixpk= 341, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 39 GLU- HN 41 ASN HN 3.42 (#peak 675) &rst ixpk= 675, nxpk= 0, iat= 252, 274, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 39 GLU- QB 40 GLY HN 3.34 (#peak 339) &rst ixpk= 339, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1= 256, 257, &end # # 39 GLU- QG 102 LYS+ QG 3.24 (#peak 1259) &rst ixpk= 1259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1= 259, 260, igr2=1245,1246, &end # # 40 GLY HN 41 ASN HN 2.72 (#peak 342) &rst ixpk= 342, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 41 ASN HA 42 ARG+ HN 3.45 (#peak 343) &rst ixpk= 343, nxpk= 0, iat= 276, 288, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 41 ASN HN 41 ASN QB 2.39 (#peak 856) &rst ixpk= 856, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 278, 279, &end # # 41 ASN HN 43 VAL HN 5.50 (#peak 452) &rst ixpk= 452, nxpk= 0, iat= 274, 312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 ASN QB 69 ASN QB 2.66 (#peak 1120) &rst ixpk= 1120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr1= 278, 279, igr2= 737, 738, &end # # 41 ASN QD2 69 ASN QB 2.59 (#peak 840) &rst ixpk= 840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, igr1= 283, 284, igr2= 737, 738, &end # # 42 ARG+ QB 66 VAL QG1 6.20 (#peak 615) &rst ixpk= 615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86, igr1= 292, 293, igr2= 686, 687, 688, &end # # 42 ARG+ QB 66 VAL QG2 6.20 (#peak 614) &rst ixpk= 614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86, igr1= 292, 293, igr2= 690, 691, 692, &end # # 42 ARG+ QD 43 VAL QQG 7.26 (#peak 598) &rst ixpk= 598, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr1= 298, 299, &end # # 42 ARG+ QD 100 VAL QQG 4.27 (#peak 1079) &rst ixpk= 1079, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 298, 299, &end # # 42 ARG+ QD 101 ASN QB 3.24 (#peak 918) &rst ixpk= 918, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1= 298, 299, igr2=1228,1229, &end # # 42 ARG+ QD 124 LEU QQD 4.27 (#peak 597) &rst ixpk= 597, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 298, 299, &end # # 43 VAL HA 68 TYR HA 4.76 (#peak 847) &rst ixpk= 847, nxpk= 0, iat= 314, 714, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 43 VAL HA 100 VAL HA 3.90 (#peak 446) &rst ixpk= 446, nxpk= 0, iat= 314,1210, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 43 VAL HB 66 VAL QQG 3.41 (#peak 1205) &rst ixpk= 1205, nxpk= 0, iat= 316, 683, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 43 VAL HB 68 TYR HA 2.40 (#peak 851) &rst ixpk= 851, nxpk= 0, iat= 316, 714, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 43 VAL HB 69 ASN HN 3.30 (#peak 160) &rst ixpk= 160, nxpk= 0, iat= 316, 733, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 43 VAL HB 100 VAL QQG 6.15 (#peak 1086) &rst ixpk= 1086, nxpk= 0, iat= 316,1211, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 43 VAL HN 43 VAL HB 2.66 (#peak 453) &rst ixpk= 453, nxpk= 0, iat= 312, 316, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 43 VAL HN 68 TYR HA 5.50 (#peak 451) &rst ixpk= 451, nxpk= 0, iat= 312, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 VAL HN 101 ASN HN 5.50 (#peak 450) &rst ixpk= 450, nxpk= 0, iat= 312,1224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 VAL QG1 44 MET HN 3.92 (#peak 344) &rst ixpk= 344, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 318, 319, 320, &end # # 43 VAL QG1 61 PHE HZ 4.57 (#peak 79) &rst ixpk= 79, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 318, 319, 320, &end # # 43 VAL QG2 44 MET HN 3.92 (#peak 345) &rst ixpk= 345, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 322, 323, 324, &end # # 43 VAL QG2 61 PHE HZ 4.57 (#peak 608) &rst ixpk= 608, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 322, 323, 324, &end # # 43 VAL QQG 45 ILE HN 4.80 (#peak 857) &rst ixpk= 857, nxpk= 0, iat= 315, 345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 43 VAL QQG 61 PHE HZ 3.33 (#peak 608) &rst ixpk= 608, nxpk= 0, iat= 315, 624, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 43 VAL QQG 61 PHE HD 5.49 (#peak 64) &rst ixpk= 64, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 620, 628, &end # # 43 VAL QQG 61 PHE HE 6.61 (#peak 8) &rst ixpk= 8, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92, igr2= 622, 626, &end # # 43 VAL QQG 66 VAL QQG 4.38 (#peak 611) &rst ixpk= 611, nxpk= 0, iat= 315, 683, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 43 VAL QQG 67 VAL HN 4.96 (#peak 537) &rst ixpk= 537, nxpk= 0, iat= 315, 696, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 43 VAL QQG 67 VAL QQG 4.38 (#peak 1024) &rst ixpk= 1024, nxpk= 0, iat= 315, 699, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 43 VAL QQG 68 TYR HA 3.50 (#peak 845) &rst ixpk= 845, nxpk= 0, iat= 315, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 43 VAL QQG 68 TYR QB 3.20 (#peak 612) &rst ixpk= 612, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2= 716, 717, &end # # 43 VAL QQG 69 ASN HN 4.38 (#peak 147) &rst ixpk= 147, nxpk= 0, iat= 315, 733, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 43 VAL QQG 100 VAL HA 4.05 (#peak 342) &rst ixpk= 342, nxpk= 0, iat= 315,1210, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 43 VAL QQG 100 VAL HB 6.42 (#peak 607) &rst ixpk= 607, nxpk= 0, iat= 315,1212, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 43 VAL QQG 100 VAL QQG 3.69 (#peak 1080) &rst ixpk= 1080, nxpk= 0, iat= 315,1211, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 43 VAL QQG 124 LEU QQD 4.38 (#peak 601) &rst ixpk= 601, nxpk= 0, iat= 315,1588, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 44 MET HA 45 ILE HN 2.40 (#peak 867) &rst ixpk= 867, nxpk= 0, iat= 330, 345, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 44 MET HA 69 ASN HN 5.50 (#peak 1127) &rst ixpk= 1127, nxpk= 0, iat= 330, 733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 MET HN 44 MET QB 3.01 (#peak 346) &rst ixpk= 346, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 332, 333, &end # # 44 MET HN 45 ILE HN 5.50 (#peak 860) &rst ixpk= 860, nxpk= 0, iat= 328, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 MET HN 45 ILE QG2 3.88 (#peak 1129) &rst ixpk= 1129, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 351, 352, 353, &end # # 44 MET QB 100 VAL HB 5.60 (#peak 746) &rst ixpk= 746, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 332, 333, &end # # 44 MET QG 45 ILE HN 2.62 (#peak 866) &rst ixpk= 866, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, igr1= 335, 336, &end # # 44 MET QG 46 PHE HZ 5.14 (#peak 3) &rst ixpk= 3, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 335, 336, &end # # 44 MET QG 46 PHE HD 7.31 (#peak 34) &rst ixpk= 34, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, igr1= 335, 336, igr2= 372, 380, &end # # 44 MET QG 46 PHE HE 6.03 (#peak 1124) &rst ixpk= 1124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, igr1= 335, 336, igr2= 374, 378, &end # # 45 ILE HA 46 PHE HN 2.40 (#peak 357) &rst ixpk= 357, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 45 ILE HN 45 ILE QD1 6.52 (#peak 865) &rst ixpk= 865, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2= 358, 359, 360, &end # # 45 ILE HN 45 ILE QG1 3.28 (#peak 863) &rst ixpk= 863, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 355, 356, &end # # 45 ILE HN 45 ILE QG2 3.42 (#peak 868) &rst ixpk= 868, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 351, 352, 353, &end # # 45 ILE HN 69 ASN HN 4.07 (#peak 161) &rst ixpk= 161, nxpk= 0, iat= 345, 733, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 45 ILE HN 71 LEU HN 4.25 (#peak 859) &rst ixpk= 859, nxpk= 0, iat= 345, 766, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 45 ILE QD1 46 PHE HN 6.52 (#peak 805) &rst ixpk= 805, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 358, 359, 360, &end # # 45 ILE QD1 57 VAL QQG 4.41 (#peak 804) &rst ixpk= 804, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 358, 359, 360, &end # # 45 ILE QD1 58 LYS+ HA 3.95 (#peak 807) &rst ixpk= 807, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 358, 359, 360, &end # # 45 ILE QD1 68 TYR HB2 3.85 (#peak 803) &rst ixpk= 803, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 358, 359, 360, &end # # 45 ILE QD1 68 TYR HB3 3.85 (#peak 808) &rst ixpk= 808, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 358, 359, 360, &end # # 45 ILE QD1 68 TYR QB 3.25 (#peak 808) &rst ixpk= 808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 358, 359, 360, igr2= 716, 717, &end # # 45 ILE QD1 68 TYR HD 5.58 (#peak 806) &rst ixpk= 806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1= 358, 359, 360, igr2= 720, 729, &end # # 45 ILE QG1 46 PHE HN 5.42 (#peak 350) &rst ixpk= 350, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 355, 356, &end # # 45 ILE QG1 57 VAL QQG 4.27 (#peak 641) &rst ixpk= 641, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 355, 356, &end # # 45 ILE QG2 46 PHE HN 4.07 (#peak 354) &rst ixpk= 354, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 351, 352, 353, &end # # 45 ILE QG2 58 LYS+ HA 4.72 (#peak 1131) &rst ixpk= 1131, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 351, 352, 353, &end # # 46 PHE HA 47 SER HN 2.40 (#peak 828) &rst ixpk= 828, nxpk= 0, iat= 366, 384, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 46 PHE HA 71 LEU QB 3.11 (#peak 319) &rst ixpk= 319, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 770, 771, &end # # 46 PHE HA 73 LEU QQD 4.44 (#peak 200) &rst ixpk= 200, nxpk= 0, iat= 366, 806, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 46 PHE HB2 86 LEU QD1 5.77 (#peak 648) &rst ixpk= 648, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 989, 990, 991, &end # # 46 PHE HB2 86 LEU QD2 5.77 (#peak 280) &rst ixpk= 280, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 993, 994, 995, &end # # 46 PHE HB3 86 LEU QD1 5.77 (#peak 648) &rst ixpk= 648, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 989, 990, 991, &end # # 46 PHE HB3 86 LEU QD2 5.77 (#peak 278) &rst ixpk= 278, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 993, 994, 995, &end # # 46 PHE HN 46 PHE HB2 3.60 (#peak 355) &rst ixpk= 355, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 46 PHE HN 46 PHE HB3 3.60 (#peak 351) &rst ixpk= 351, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 46 PHE HN 46 PHE QB 2.45 (#peak 355) &rst ixpk= 355, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, igr2= 368, 369, &end # # 46 PHE HN 97 ASN HA 5.50 (#peak 353) &rst ixpk= 353, nxpk= 0, iat= 364,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 46 PHE HN 97 ASN HN 4.80 (#peak 820) &rst ixpk= 820, nxpk= 0, iat= 364,1155, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 46 PHE QB 47 SER HN 3.59 (#peak 1138) &rst ixpk= 1138, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 368, 369, &end # # 46 PHE QB 73 LEU QQD 3.56 (#peak 204) &rst ixpk= 204, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 368, 369, &end # # 46 PHE QB 86 LEU QQD 3.58 (#peak 648) &rst ixpk= 648, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1= 368, 369, &end # # 46 PHE QB 95 VAL QQG 6.19 (#peak 647) &rst ixpk= 647, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1= 368, 369, &end # # 46 PHE QB 97 ASN HA 5.34 (#peak 902) &rst ixpk= 902, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 368, 369, &end # # 46 PHE QB 97 ASN QB 5.15 (#peak 432) &rst ixpk= 432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 368, 369, igr2=1159,1160, &end # # 46 PHE HD 71 LEU QB 4.40 (#peak 31) &rst ixpk= 31, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 372, 380, igr2= 770, 771, &end # # 46 PHE HD 73 LEU QD1 5.55 (#peak 26) &rst ixpk= 26, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 372, 380, igr2= 809, 810, 811, &end # # 46 PHE HD 73 LEU QD2 5.55 (#peak 32) &rst ixpk= 32, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 372, 380, igr2= 813, 814, 815, &end # # 46 PHE HD 86 LEU QQD 5.49 (#peak 33) &rst ixpk= 33, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 372, 380, &end # # 46 PHE HD 97 ASN QB 8.51 (#peak 428) &rst ixpk= 428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.72, r4=11.22, igr1= 372, 380, igr2=1159,1160, &end # # 46 PHE HD 99 PHE HD 9.76 (#peak 30) &rst ixpk= 30, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.30, r4=12.80, igr1= 372, 380, igr2=1196,1204, &end # # 46 PHE HE 71 LEU HG 5.74 (#peak 1036) &rst ixpk= 1036, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 374, 378, &end # # 46 PHE HE 71 LEU QB 6.25 (#peak 25) &rst ixpk= 25, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37, igr1= 374, 378, igr2= 770, 771, &end # # 46 PHE HE 99 PHE HD 8.24 (#peak 19) &rst ixpk= 19, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88, igr1= 374, 378, igr2=1196,1204, &end # # 47 SER HA 72 GLU- HA 4.32 (#peak 751) &rst ixpk= 751, nxpk= 0, iat= 386, 787, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 47 SER HA 73 LEU HN 4.54 (#peak 618) &rst ixpk= 618, nxpk= 0, iat= 386, 800, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 47 SER HA 95 VAL HB 5.70 (#peak 753) &rst ixpk= 753, nxpk= 0, iat= 386,1129, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 47 SER HA 95 VAL QG1 6.52 (#peak 561) &rst ixpk= 561, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1131,1132,1133, &end # # 47 SER HA 95 VAL QG2 6.52 (#peak 119) &rst ixpk= 119, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1135,1136,1137, &end # # 47 SER HB2 72 GLU- HA 3.58 (#peak 261) &rst ixpk= 261, nxpk= 0, iat= 388, 787, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 47 SER HB3 72 GLU- HA 3.58 (#peak 1089) &rst ixpk= 1089, nxpk= 0, iat= 389, 787, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 47 SER HN 47 SER QB 3.01 (#peak 836) &rst ixpk= 836, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 388, 389, &end # # 47 SER HN 48 LYS+ HN 5.50 (#peak 654) &rst ixpk= 654, nxpk= 0, iat= 384, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 47 SER HN 48 LYS+ QB 5.90 (#peak 830) &rst ixpk= 830, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2= 399, 400, &end # # 47 SER HN 71 LEU HN 5.50 (#peak 308) &rst ixpk= 308, nxpk= 0, iat= 384, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 47 SER HN 72 GLU- HA 2.40 (#peak 58) &rst ixpk= 58, nxpk= 0, iat= 384, 787, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 47 SER HN 72 GLU- HN 4.39 (#peak 103) &rst ixpk= 103, nxpk= 0, iat= 384, 785, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 47 SER HN 73 LEU HG 3.42 (#peak 835) &rst ixpk= 835, nxpk= 0, iat= 384, 807, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 47 SER HN 73 LEU HN 2.96 (#peak 833) &rst ixpk= 833, nxpk= 0, iat= 384, 800, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 47 SER HN 74 ASP- QB 5.65 (#peak 831) &rst ixpk= 831, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 823, 824, &end # # 47 SER QB 48 LYS+ HN 2.95 (#peak 651) &rst ixpk= 651, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr1= 388, 389, &end # # 47 SER QB 71 LEU HA 5.34 (#peak 858) &rst ixpk= 858, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 388, 389, &end # # 47 SER QB 72 GLU- HA 2.89 (#peak 1089) &rst ixpk= 1089, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr1= 388, 389, &end # # 48 LYS+ HA 73 LEU HN 4.57 (#peak 96) &rst ixpk= 96, nxpk= 0, iat= 397, 800, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 48 LYS+ HN 48 LYS+ QB 3.23 (#peak 589) &rst ixpk= 589, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 399, 400, &end # # 48 LYS+ HN 48 LYS+ QD 5.34 (#peak 584) &rst ixpk= 584, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 405, 406, &end # # 48 LYS+ HN 49 SER HN 5.88 (#peak 653) &rst ixpk= 653, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 48 LYS+ HN 73 LEU HN 5.50 (#peak 650) &rst ixpk= 650, nxpk= 0, iat= 395, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 LYS+ HN 95 VAL QQG 5.76 (#peak 120) &rst ixpk= 120, nxpk= 0, iat= 395,1128, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 48 LYS+ QB 49 SER HN 2.53 (#peak 772) &rst ixpk= 772, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, igr1= 399, 400, &end # # 48 LYS+ QB 50 TYR HN 3.17 (#peak 655) &rst ixpk= 655, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr1= 399, 400, &end # # 48 LYS+ QB 50 TYR HD 5.20 (#peak 593) &rst ixpk= 593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 399, 400, igr2= 436, 445, &end # # 48 LYS+ QB 50 TYR HE 6.63 (#peak 1095) &rst ixpk= 1095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 399, 400, igr2= 438, 443, &end # # 48 LYS+ QB 51 CYS HN 3.43 (#peak 419) &rst ixpk= 419, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1= 399, 400, &end # # 48 LYS+ QB 74 ASP- HN 4.76 (#peak 413) &rst ixpk= 413, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 399, 400, &end # # 48 LYS+ QB 74 ASP- QB 2.93 (#peak 1092) &rst ixpk= 1092, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1= 399, 400, igr2= 823, 824, &end # # 48 LYS+ QB 95 VAL QQG 4.49 (#peak 121) &rst ixpk= 121, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 399, 400, &end # # 48 LYS+ QD 74 ASP- QB 2.48 (#peak 94) &rst ixpk= 94, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr1= 405, 406, igr2= 823, 824, &end # # 48 LYS+ QD 95 VAL QQG 3.36 (#peak 583) &rst ixpk= 583, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 405, 406, &end # # 48 LYS+ QG 49 SER HN 5.34 (#peak 771) &rst ixpk= 771, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 402, 403, &end # # 48 LYS+ QG 50 TYR HD 7.31 (#peak 100) &rst ixpk= 100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, igr1= 402, 403, igr2= 436, 445, &end # # 48 LYS+ QG 50 TYR HE 6.49 (#peak 418) &rst ixpk= 418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 402, 403, igr2= 438, 443, &end # # 48 LYS+ QG 73 LEU HN 5.34 (#peak 419) &rst ixpk= 419, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 402, 403, &end # # 48 LYS+ QG 73 LEU QB 6.16 (#peak 421) &rst ixpk= 421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1= 402, 403, igr2= 804, 805, &end # # 48 LYS+ QG 74 ASP- HA 5.03 (#peak 422) &rst ixpk= 422, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 402, 403, &end # # 48 LYS+ QG 74 ASP- HN 5.34 (#peak 411) &rst ixpk= 411, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 402, 403, &end # # 48 LYS+ QG 74 ASP- QB 2.48 (#peak 415) &rst ixpk= 415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr1= 402, 403, igr2= 823, 824, &end # # 48 LYS+ QG 95 VAL QQG 3.36 (#peak 118) &rst ixpk= 118, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 402, 403, &end # # 49 SER HA 75 GLN QG 3.56 (#peak 1043) &rst ixpk= 1043, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 838, 839, &end # # 49 SER HN 50 TYR HA 5.50 (#peak 759) &rst ixpk= 759, nxpk= 0, iat= 417, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 SER HN 50 TYR HN 2.74 (#peak 777) &rst ixpk= 777, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 49 SER HN 50 TYR HD 7.63 (#peak 779) &rst ixpk= 779, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr2= 436, 445, &end # # 49 SER HN 51 CYS HN 4.45 (#peak 426) &rst ixpk= 426, nxpk= 0, iat= 417, 449, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 49 SER HN 72 GLU- HB2 5.50 (#peak 301) &rst ixpk= 301, nxpk= 0, iat= 417, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 SER HN 72 GLU- HB3 5.50 (#peak 775) &rst ixpk= 775, nxpk= 0, iat= 417, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 SER HN 74 ASP- QB 5.41 (#peak 103) &rst ixpk= 103, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 823, 824, &end # # 50 TYR HA 51 CYS HN 2.40 (#peak 421) &rst ixpk= 421, nxpk= 0, iat= 430, 449, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 50 TYR HN 50 TYR QB 3.30 (#peak 657) &rst ixpk= 657, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 432, 433, &end # # 50 TYR HN 51 CYS HN 4.26 (#peak 656) &rst ixpk= 656, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 50 TYR HD 74 ASP- QB 5.27 (#peak 725) &rst ixpk= 725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 436, 445, igr2= 823, 824, &end # # 50 TYR HE 74 ASP- QB 5.95 (#peak 55) &rst ixpk= 55, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 438, 443, igr2= 823, 824, &end # # 51 CYS HA 52 PRO HA 4.32 (#peak 1265) &rst ixpk= 1265, nxpk= 0, iat= 451, 470, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 51 CYS HA 52 PRO QB 4.51 (#peak 123) &rst ixpk= 123, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 467, 468, &end # # 51 CYS HA 52 PRO QG 3.93 (#peak 284) &rst ixpk= 284, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 464, 465, &end # # 51 CYS HA 54 SER HN 5.50 (#peak 135) &rst ixpk= 135, nxpk= 0, iat= 451, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 CYS HN 51 CYS QB 2.76 (#peak 422) &rst ixpk= 422, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, igr2= 453, 454, &end # # 51 CYS HN 54 SER HN 5.67 (#peak 417) &rst ixpk= 417, nxpk= 0, iat= 449, 491, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end # # 51 CYS HN 54 SER QB 5.73 (#peak 923) &rst ixpk= 923, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2= 495, 496, &end # # 51 CYS QB 52 PRO HA 4.71 (#peak 932) &rst ixpk= 932, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 453, 454, &end # # 51 CYS QB 52 PRO QD 6.17 (#peak 616) &rst ixpk= 616, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27, igr1= 453, 454, igr2= 461, 462, &end # # 51 CYS QB 54 SER HN 3.89 (#peak 760) &rst ixpk= 760, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1= 453, 454, &end # # 52 PRO HA 55 THR HA 5.88 (#peak 1277) &rst ixpk= 1277, nxpk= 0, iat= 470, 504, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 52 PRO HA 55 THR HB 3.46 (#peak 933) &rst ixpk= 933, nxpk= 0, iat= 470, 506, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 52 PRO HB2 55 THR HB 5.87 (#peak 770) &rst ixpk= 770, nxpk= 0, iat= 467, 506, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 52 PRO HB3 55 THR HB 5.87 (#peak 768) &rst ixpk= 768, nxpk= 0, iat= 468, 506, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 53 HIS HA 55 THR HN 5.38 (#peak 1269) &rst ixpk= 1269, nxpk= 0, iat= 476, 502, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 53 HIS HA 56 ARG+ HN 5.10 (#peak 1270) &rst ixpk= 1270, nxpk= 0, iat= 476, 516, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 53 HIS HA 56 ARG+ QB 3.07 (#peak 1268) &rst ixpk= 1268, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2= 520, 521, &end # # 53 HIS HN 53 HIS HA 2.40 (#peak 323) &rst ixpk= 323, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 53 HIS HN 53 HIS QB 3.31 (#peak 321) &rst ixpk= 321, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 478, 479, &end # # 53 HIS HN 54 SER HA 5.50 (#peak 320) &rst ixpk= 320, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 HIS HN 54 SER HN 5.50 (#peak 127) &rst ixpk= 127, nxpk= 0, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 HIS HN 54 SER QB 4.96 (#peak 322) &rst ixpk= 322, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 495, 496, &end # # 53 HIS HN 56 ARG+ QB 4.05 (#peak 319) &rst ixpk= 319, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 520, 521, &end # # 53 HIS QB 54 SER HN 3.28 (#peak 132) &rst ixpk= 132, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1= 478, 479, &end # # 53 HIS QB 96 PRO QD 6.16 (#peak 766) &rst ixpk= 766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1= 478, 479, igr2=1142,1143, &end # # 53 HIS QB 96 PRO QG 6.43 (#peak 767) &rst ixpk= 767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, igr1= 478, 479, igr2=1145,1146, &end # # 54 SER HA 96 PRO QG 4.84 (#peak 926) &rst ixpk= 926, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1145,1146, &end # # 54 SER HN 54 SER HA 2.90 (#peak 129) &rst ixpk= 129, nxpk= 0, iat= 491, 493, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 54 SER HN 55 THR HN 2.68 (#peak 428) &rst ixpk= 428, nxpk= 0, iat= 491, 502, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end # # 54 SER HN 56 ARG+ HN 3.90 (#peak 133) &rst ixpk= 133, nxpk= 0, iat= 491, 516, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 54 SER QB 96 PRO QB 4.78 (#peak 921) &rst ixpk= 921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 495, 496, igr2=1148,1149, &end # # 54 SER QB 96 PRO QG 6.87 (#peak 928) &rst ixpk= 928, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16, igr1= 495, 496, igr2=1145,1146, &end # # 55 THR HA 56 ARG+ HN 3.39 (#peak 1276) &rst ixpk= 1276, nxpk= 0, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 55 THR HA 57 VAL HN 5.50 (#peak 1272) &rst ixpk= 1272, nxpk= 0, iat= 504, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 55 THR HA 58 LYS+ QB 3.50 (#peak 1275) &rst ixpk= 1275, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 560, 561, &end # # 55 THR HA 58 LYS+ QD 3.44 (#peak 1278) &rst ixpk= 1278, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 566, 567, &end # # 55 THR HA 58 LYS+ QG 3.47 (#peak 1274) &rst ixpk= 1274, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 563, 564, &end # # 55 THR HB 56 ARG+ HN 3.89 (#peak 569) &rst ixpk= 569, nxpk= 0, iat= 506, 516, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 55 THR HN 55 THR QG2 4.04 (#peak 429) &rst ixpk= 429, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 508, 509, 510, &end # # 55 THR HN 56 ARG+ HN 2.43 (#peak 431) &rst ixpk= 431, nxpk= 0, iat= 502, 516, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end # # 55 THR QG2 56 ARG+ HN 3.95 (#peak 563) &rst ixpk= 563, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 508, 509, 510, &end # # 55 THR QG2 59 GLU- QG 4.52 (#peak 267) &rst ixpk= 267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 508, 509, 510, igr2= 585, 586, &end # # 56 ARG+ HN 56 ARG+ HD2 5.50 (#peak 570) &rst ixpk= 570, nxpk= 0, iat= 516, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ARG+ HN 56 ARG+ HD3 5.50 (#peak 359) &rst ixpk= 359, nxpk= 0, iat= 516, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ARG+ HN 56 ARG+ QB 2.68 (#peak 1281) &rst ixpk= 1281, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, igr2= 520, 521, &end # # 56 ARG+ HN 56 ARG+ QD 4.66 (#peak 359) &rst ixpk= 359, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 526, 527, &end # # 56 ARG+ HN 56 ARG+ QG 4.24 (#peak 1101) &rst ixpk= 1101, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 523, 524, &end # # 56 ARG+ QB 57 VAL HN 2.75 (#peak 141) &rst ixpk= 141, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, igr1= 520, 521, &end # # 56 ARG+ QG 57 VAL HN 3.92 (#peak 270) &rst ixpk= 270, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 523, 524, &end # # 56 ARG+ QG 112 PHE HZ 3.81 (#peak 1100) &rst ixpk= 1100, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1= 523, 524, &end # # 56 ARG+ QG 112 PHE HE 5.40 (#peak 273) &rst ixpk= 273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1= 523, 524, igr2=1394,1398, &end # # 57 VAL HA 60 LEU HN 5.50 (#peak 747) &rst ixpk= 747, nxpk= 0, iat= 542, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 VAL HA 60 LEU QQD 4.05 (#peak 1008) &rst ixpk= 1008, nxpk= 0, iat= 542, 599, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 57 VAL HB 58 LYS+ HN 2.65 (#peak 283) &rst ixpk= 283, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 57 VAL HB 96 PRO QG 6.39 (#peak 925) &rst ixpk= 925, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2=1145,1146, &end # # 57 VAL HB 98 ILE QG1 5.02 (#peak 505) &rst ixpk= 505, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1179,1180, &end # # 57 VAL QQG 61 PHE HZ 6.42 (#peak 82) &rst ixpk= 82, nxpk= 0, iat= 543, 624, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 57 VAL QQG 61 PHE HD 5.49 (#peak 63) &rst ixpk= 63, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 620, 628, &end # # 57 VAL QQG 61 PHE HE 8.44 (#peak 434) &rst ixpk= 434, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97, igr2= 622, 626, &end # # 57 VAL QQG 96 PRO QG 5.03 (#peak 929) &rst ixpk= 929, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1145,1146, &end # # 57 VAL QQG 98 ILE QD1 4.41 (#peak 573) &rst ixpk= 573, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1182,1183,1184, &end # # 57 VAL QQG 98 ILE QG1 4.27 (#peak 907) &rst ixpk= 907, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1179,1180, &end # # 57 VAL QQG 111 THR HB 3.41 (#peak 435) &rst ixpk= 435, nxpk= 0, iat= 543,1374, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 57 VAL QQG 111 THR QG2 7.39 (#peak 433) &rst ixpk= 433, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37, igr2=1376,1377,1378, &end # # 58 LYS+ HA 59 GLU- HN 3.54 (#peak 83) &rst ixpk= 83, nxpk= 0, iat= 558, 578, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 58 LYS+ HN 58 LYS+ HA 2.80 (#peak 285) &rst ixpk= 285, nxpk= 0, iat= 556, 558, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 58 LYS+ HN 58 LYS+ QB 3.40 (#peak 284) &rst ixpk= 284, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 560, 561, &end # # 58 LYS+ QB 59 GLU- HN 4.15 (#peak 787) &rst ixpk= 787, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 560, 561, &end # # 58 LYS+ QG 59 GLU- HN 5.24 (#peak 81) &rst ixpk= 81, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 563, 564, &end # # 58 LYS+ QG 68 TYR HD 8.42 (#peak 774) &rst ixpk= 774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11, igr1= 563, 564, igr2= 720, 729, &end # # 58 LYS+ QG 68 TYR HE 8.52 (#peak 90) &rst ixpk= 90, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23, igr1= 563, 564, igr2= 722, 727, &end # # 59 GLU- HN 59 GLU- QB 3.28 (#peak 85) &rst ixpk= 85, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 582, 583, &end # # 59 GLU- HN 59 GLU- QG 6.38 (#peak 79) &rst ixpk= 79, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 585, 586, &end # # 59 GLU- HN 60 LEU HN 2.40 (#peak 743) &rst ixpk= 743, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 59 GLU- QB 60 LEU HN 3.40 (#peak 750) &rst ixpk= 750, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1= 582, 583, &end # # 59 GLU- QG 60 LEU HN 5.33 (#peak 451) &rst ixpk= 451, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 585, 586, &end # # 60 LEU HG 61 PHE HN 3.08 (#peak 535) &rst ixpk= 535, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 60 LEU HG 112 PHE HE 6.73 (#peak 1159) &rst ixpk= 1159, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05, igr2=1394,1398, &end # # 60 LEU HG 114 ALA QB 6.52 (#peak 1156) &rst ixpk= 1156, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1425,1426,1427, &end # # 60 LEU HG 120 LEU QQD 3.41 (#peak 1155) &rst ixpk= 1155, nxpk= 0, iat= 600,1511, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 60 LEU HN 60 LEU HB2 2.77 (#peak 748) &rst ixpk= 748, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end # # 60 LEU HN 60 LEU HB3 2.77 (#peak 746) &rst ixpk= 746, nxpk= 0, iat= 593, 598, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end # # 60 LEU HN 60 LEU HG 4.25 (#peak 749) &rst ixpk= 749, nxpk= 0, iat= 593, 600, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 60 LEU QB 61 PHE HN 2.42 (#peak 534) &rst ixpk= 534, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, igr1= 597, 598, &end # # 60 LEU QD1 61 PHE HD 6.90 (#peak 68) &rst ixpk= 68, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80, igr1= 602, 603, 604, igr2= 620, 628, &end # # 60 LEU QD2 61 PHE HD 6.90 (#peak 781) &rst ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80, igr1= 606, 607, 608, igr2= 620, 628, &end # # 60 LEU QQD 61 PHE HN 4.68 (#peak 783) &rst ixpk= 783, nxpk= 0, iat= 599, 612, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 60 LEU QQD 61 PHE HD 5.07 (#peak 68) &rst ixpk= 68, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2= 620, 628, &end # # 60 LEU QQD 111 THR QG2 4.41 (#peak 19) &rst ixpk= 19, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1376,1377,1378, &end # # 60 LEU QQD 112 PHE HA 3.41 (#peak 780) &rst ixpk= 780, nxpk= 0, iat= 599,1386, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 60 LEU QQD 112 PHE HZ 4.14 (#peak 1285) &rst ixpk= 1285, nxpk= 0, iat= 599,1396, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 60 LEU QQD 112 PHE QB 6.07 (#peak 1175) &rst ixpk= 1175, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr2=1388,1389, &end # # 60 LEU QQD 112 PHE HD 6.35 (#peak 1288) &rst ixpk= 1288, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr2=1392,1400, &end # # 60 LEU QQD 114 ALA QB 4.41 (#peak 1286) &rst ixpk= 1286, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1425,1426,1427, &end # # 60 LEU QQD 115 HIS HA 3.65 (#peak 1284) &rst ixpk= 1284, nxpk= 0, iat= 599,1433, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 60 LEU QQD 115 HIS HN 4.50 (#peak 229) &rst ixpk= 229, nxpk= 0, iat= 599,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 LEU QQD 115 HIS QB 3.62 (#peak 782) &rst ixpk= 782, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1435,1436, &end # # 60 LEU QQD 120 LEU QQD 4.37 (#peak 778) &rst ixpk= 778, nxpk= 0, iat= 599,1511, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 61 PHE HB2 62 SER HN 3.06 (#peak 92) &rst ixpk= 92, nxpk= 0, iat= 616, 632, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 61 PHE HB3 62 SER HN 3.06 (#peak 88) &rst ixpk= 88, nxpk= 0, iat= 617, 632, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 61 PHE HN 62 SER HN 2.63 (#peak 531) &rst ixpk= 531, nxpk= 0, iat= 612, 632, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end # # 61 PHE HZ 98 ILE QG2 6.52 (#peak 81) &rst ixpk= 81, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1175,1176,1177, &end # # 61 PHE HZ 100 VAL QQG 3.41 (#peak 86) &rst ixpk= 86, nxpk= 0, iat= 624,1211, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 61 PHE HZ 111 THR QG2 3.42 (#peak 21) &rst ixpk= 21, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1376,1377,1378, &end # # 61 PHE HZ 120 LEU HG 5.50 (#peak 867) &rst ixpk= 867, nxpk= 0, iat= 624,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 PHE HZ 120 LEU QD1 6.52 (#peak 964) &rst ixpk= 964, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1514,1515,1516, &end # # 61 PHE HZ 120 LEU QD2 6.52 (#peak 193) &rst ixpk= 193, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1518,1519,1520, &end # # 61 PHE QB 62 SER HN 2.34 (#peak 88) &rst ixpk= 88, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, igr1= 616, 617, &end # # 61 PHE QB 66 VAL HN 4.36 (#peak 296) &rst ixpk= 296, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 616, 617, &end # # 61 PHE QB 67 VAL HA 5.34 (#peak 44) &rst ixpk= 44, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 616, 617, &end # # 61 PHE HD 64 LEU QQD 5.99 (#peak 135) &rst ixpk= 135, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, igr1= 620, 628, &end # # 61 PHE HD 66 VAL QQG 5.63 (#peak 1203) &rst ixpk= 1203, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 620, 628, &end # # 61 PHE HD 124 LEU QD1 6.66 (#peak 66) &rst ixpk= 66, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 620, 628, igr2=1591,1592,1593, &end # # 61 PHE HD 124 LEU QD2 6.66 (#peak 74) &rst ixpk= 74, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 620, 628, igr2=1595,1596,1597, &end # # 61 PHE HD 124 LEU QQD 5.29 (#peak 66) &rst ixpk= 66, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 620, 628, &end # # 61 PHE HE 64 LEU QQD 5.94 (#peak 649) &rst ixpk= 649, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 622, 626, &end # # 61 PHE HE 98 ILE QG1 5.66 (#peak 16) &rst ixpk= 16, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 622, 626, igr2=1179,1180, &end # # 61 PHE HE 98 ILE QG2 5.55 (#peak 239) &rst ixpk= 239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 622, 626, igr2=1175,1176,1177, &end # # 61 PHE HE 100 VAL QG1 5.83 (#peak 251) &rst ixpk= 251, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 622, 626, igr2=1214,1215,1216, &end # # 61 PHE HE 100 VAL QG2 5.83 (#peak 1078) &rst ixpk= 1078, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 622, 626, igr2=1218,1219,1220, &end # # 61 PHE HE 111 THR QG2 5.55 (#peak 6) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 622, 626, igr2=1376,1377,1378, &end # # 61 PHE HE 120 LEU QD1 5.55 (#peak 960) &rst ixpk= 960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 622, 626, igr2=1514,1515,1516, &end # # 61 PHE HE 120 LEU QD2 5.55 (#peak 187) &rst ixpk= 187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 622, 626, igr2=1518,1519,1520, &end # # 61 PHE HE 124 LEU QD1 5.55 (#peak 15) &rst ixpk= 15, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 622, 626, igr2=1591,1592,1593, &end # # 61 PHE HE 124 LEU QD2 5.55 (#peak 7) &rst ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1= 622, 626, igr2=1595,1596,1597, &end # # 62 SER HA 66 VAL HN 5.19 (#peak 180) &rst ixpk= 180, nxpk= 0, iat= 634, 680, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 62 SER HA 67 VAL HA 5.59 (#peak 179) &rst ixpk= 179, nxpk= 0, iat= 634, 698, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 62 SER HA 68 TYR HD 5.74 (#peak 181) &rst ixpk= 181, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2= 720, 729, &end # # 62 SER HN 62 SER QB 2.39 (#peak 90) &rst ixpk= 90, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 636, 637, &end # # 62 SER HN 64 LEU QB 5.34 (#peak 91) &rst ixpk= 91, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 658, 659, &end # # 62 SER QB 63 SER HN 4.41 (#peak 577) &rst ixpk= 577, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 636, 637, &end # # 62 SER QB 68 TYR HD 6.08 (#peak 366) &rst ixpk= 366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, igr1= 636, 637, igr2= 720, 729, &end # # 63 SER HN 64 LEU HN 2.40 (#peak 588) &rst ixpk= 588, nxpk= 0, iat= 643, 654, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 63 SER HN 64 LEU QB 4.00 (#peak 575) &rst ixpk= 575, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 658, 659, &end # # 64 LEU HA 65 GLY HN 3.25 (#peak 514) &rst ixpk= 514, nxpk= 0, iat= 656, 673, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 64 LEU HB2 65 GLY HN 5.50 (#peak 392) &rst ixpk= 392, nxpk= 0, iat= 658, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 LEU HB3 65 GLY HN 5.50 (#peak 838) &rst ixpk= 838, nxpk= 0, iat= 659, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 LEU HG 66 VAL HB 2.95 (#peak 373) &rst ixpk= 373, nxpk= 0, iat= 661, 684, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 64 LEU HG 124 LEU HG 3.89 (#peak 1196) &rst ixpk= 1196, nxpk= 0, iat= 661,1589, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 64 LEU HN 64 LEU HG 4.45 (#peak 1195) &rst ixpk= 1195, nxpk= 0, iat= 654, 661, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 64 LEU HN 64 LEU QB 2.34 (#peak 589) &rst ixpk= 589, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, igr2= 658, 659, &end # # 64 LEU HN 64 LEU QD1 4.15 (#peak 651) &rst ixpk= 651, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 663, 664, 665, &end # # 64 LEU HN 64 LEU QD2 4.15 (#peak 582) &rst ixpk= 582, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 667, 668, 669, &end # # 64 LEU HN 65 GLY HN 4.51 (#peak 402) &rst ixpk= 402, nxpk= 0, iat= 654, 673, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 64 LEU HN 66 VAL HN 4.17 (#peak 583) &rst ixpk= 583, nxpk= 0, iat= 654, 680, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 64 LEU HN 66 VAL QQG 3.67 (#peak 587) &rst ixpk= 587, nxpk= 0, iat= 654, 683, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 64 LEU QB 66 VAL HN 4.19 (#peak 837) &rst ixpk= 837, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 658, 659, &end # # 64 LEU QQD 65 GLY HN 4.10 (#peak 393) &rst ixpk= 393, nxpk= 0, iat= 660, 673, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 64 LEU QQD 124 LEU QQD 3.93 (#peak 137) &rst ixpk= 137, nxpk= 0, iat= 660,1588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 65 GLY HN 65 GLY QA 2.30 (#peak 403) &rst ixpk= 403, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, igr2= 675, 676, &end # # 65 GLY HN 66 VAL HB 6.15 (#peak 394) &rst ixpk= 394, nxpk= 0, iat= 673, 684, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 GLY HN 66 VAL HN 3.02 (#peak 291) &rst ixpk= 291, nxpk= 0, iat= 673, 680, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 65 GLY HN 66 VAL QG1 6.52 (#peak 404) &rst ixpk= 404, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2= 686, 687, 688, &end # # 65 GLY HN 66 VAL QG2 6.52 (#peak 400) &rst ixpk= 400, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2= 690, 691, 692, &end # # 65 GLY HN 68 TYR HD 7.26 (#peak 398) &rst ixpk= 398, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr2= 720, 729, &end # # 65 GLY QA 66 VAL HN 2.71 (#peak 290) &rst ixpk= 290, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, igr1= 675, 676, &end # # 66 VAL HA 67 VAL HN 2.40 (#peak 540) &rst ixpk= 540, nxpk= 0, iat= 682, 696, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 66 VAL HB 67 VAL HN 4.85 (#peak 372) &rst ixpk= 372, nxpk= 0, iat= 684, 696, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 66 VAL HB 124 LEU QQD 3.41 (#peak 369) &rst ixpk= 369, nxpk= 0, iat= 684,1588, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 66 VAL HN 66 VAL HB 4.11 (#peak 289) &rst ixpk= 289, nxpk= 0, iat= 680, 684, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 66 VAL HN 66 VAL QG1 3.85 (#peak 1199) &rst ixpk= 1199, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 686, 687, 688, &end # # 66 VAL HN 66 VAL QG2 3.85 (#peak 702) &rst ixpk= 702, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 690, 691, 692, &end # # 66 VAL HN 66 VAL QQG 3.20 (#peak 1199) &rst ixpk= 1199, nxpk= 0, iat= 680, 683, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 66 VAL QQG 68 TYR HA 4.53 (#peak 706) &rst ixpk= 706, nxpk= 0, iat= 683, 714, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 66 VAL QQG 124 LEU QQD 3.93 (#peak 701) &rst ixpk= 701, nxpk= 0, iat= 683,1588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 67 VAL HB 68 TYR HN 5.50 (#peak 596) &rst ixpk= 596, nxpk= 0, iat= 700, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 67 VAL HN 67 VAL HB 4.11 (#peak 541) &rst ixpk= 541, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 67 VAL HN 67 VAL QQG 3.41 (#peak 543) &rst ixpk= 543, nxpk= 0, iat= 696, 699, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 67 VAL HN 68 TYR HN 4.31 (#peak 595) &rst ixpk= 595, nxpk= 0, iat= 696, 712, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 67 VAL QQG 68 TYR HN 3.73 (#peak 598) &rst ixpk= 598, nxpk= 0, iat= 699, 712, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 68 TYR HA 69 ASN HN 2.40 (#peak 154) &rst ixpk= 154, nxpk= 0, iat= 714, 733, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 68 TYR HN 68 TYR QB 2.89 (#peak 593) &rst ixpk= 593, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 716, 717, &end # # 68 TYR HN 69 ASN HN 5.50 (#peak 155) &rst ixpk= 155, nxpk= 0, iat= 712, 733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 TYR QB 69 ASN HN 2.39 (#peak 150) &rst ixpk= 150, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr1= 716, 717, &end # # 68 TYR HD 69 ASN HN 4.59 (#peak 152) &rst ixpk= 152, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 720, 729, &end # # 68 TYR HD 70 ILE HN 5.95 (#peak 604) &rst ixpk= 604, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1= 720, 729, &end # # 68 TYR HD 70 ILE QG2 5.64 (#peak 524) &rst ixpk= 524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, igr1= 720, 729, igr2= 753, 754, 755, &end # # 68 TYR HE 69 ASN HN 7.63 (#peak 156) &rst ixpk= 156, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 722, 727, &end # # 68 TYR HE 70 ILE QG2 7.26 (#peak 526) &rst ixpk= 526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, igr1= 722, 727, igr2= 753, 754, 755, &end # # 69 ASN HA 70 ILE HN 2.40 (#peak 600) &rst ixpk= 600, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 69 ASN HA 70 ILE QD1 3.85 (#peak 184) &rst ixpk= 184, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 760, 761, 762, &end # # 69 ASN HN 69 ASN QB 3.70 (#peak 520) &rst ixpk= 520, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2= 737, 738, &end # # 69 ASN QB 70 ILE HN 2.75 (#peak 606) &rst ixpk= 606, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, igr1= 737, 738, &end # # 70 ILE HB 71 LEU HN 5.50 (#peak 304) &rst ixpk= 304, nxpk= 0, iat= 751, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 ILE HN 70 ILE HB 2.40 (#peak 607) &rst ixpk= 607, nxpk= 0, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 70 ILE HN 70 ILE QD1 3.42 (#peak 608) &rst ixpk= 608, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 760, 761, 762, &end # # 70 ILE HN 70 ILE QG1 6.38 (#peak 605) &rst ixpk= 605, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 757, 758, &end # # 70 ILE HN 70 ILE QG2 6.52 (#peak 603) &rst ixpk= 603, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2= 753, 754, 755, &end # # 70 ILE QD1 71 LEU HN 6.52 (#peak 306) &rst ixpk= 306, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 760, 761, 762, &end # # 71 LEU HA 72 GLU- HN 2.40 (#peak 99) &rst ixpk= 99, nxpk= 0, iat= 768, 785, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 71 LEU HB2 72 GLU- HN 4.51 (#peak 97) &rst ixpk= 97, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 71 LEU HB3 72 GLU- HN 4.51 (#peak 102) &rst ixpk= 102, nxpk= 0, iat= 771, 785, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 71 LEU HG 72 GLU- HN 5.50 (#peak 101) &rst ixpk= 101, nxpk= 0, iat= 773, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 LEU HN 71 LEU HG 2.40 (#peak 305) &rst ixpk= 305, nxpk= 0, iat= 766, 773, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 71 LEU HN 71 LEU QQD 3.41 (#peak 301) &rst ixpk= 301, nxpk= 0, iat= 766, 772, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 71 LEU HN 72 GLU- HA 5.50 (#peak 52) &rst ixpk= 52, nxpk= 0, iat= 766, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 LEU HN 72 GLU- HN 3.92 (#peak 95) &rst ixpk= 95, nxpk= 0, iat= 766, 785, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 71 LEU QB 72 GLU- HN 3.79 (#peak 97) &rst ixpk= 97, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 770, 771, &end # # 71 LEU QQD 76 VAL QQG 4.38 (#peak 527) &rst ixpk= 527, nxpk= 0, iat= 772, 851, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 72 GLU- HA 73 LEU HN 2.40 (#peak 609) &rst ixpk= 609, nxpk= 0, iat= 787, 800, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 72 GLU- HA 74 ASP- HN 6.12 (#peak 54) &rst ixpk= 54, nxpk= 0, iat= 787, 819, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 72 GLU- HA 75 GLN HN 4.00 (#peak 310) &rst ixpk= 310, nxpk= 0, iat= 787, 831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 72 GLU- HB2 73 LEU HN 4.35 (#peak 613) &rst ixpk= 613, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 72 GLU- HB3 73 LEU HN 4.35 (#peak 791) &rst ixpk= 791, nxpk= 0, iat= 790, 800, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 72 GLU- HN 72 GLU- HA 2.80 (#peak 93) &rst ixpk= 93, nxpk= 0, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 72 GLU- HN 72 GLU- QB 2.37 (#peak 94) &rst ixpk= 94, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, igr2= 789, 790, &end # # 72 GLU- HN 73 LEU HN 4.17 (#peak 610) &rst ixpk= 610, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 72 GLU- HN 74 ASP- HN 5.50 (#peak 96) &rst ixpk= 96, nxpk= 0, iat= 785, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 LEU HA 74 ASP- HN 3.33 (#peak 409) &rst ixpk= 409, nxpk= 0, iat= 802, 819, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 73 LEU HG 95 VAL QQG 6.42 (#peak 930) &rst ixpk= 930, nxpk= 0, iat= 807,1128, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 73 LEU HN 73 LEU HA 2.79 (#peak 614) &rst ixpk= 614, nxpk= 0, iat= 800, 802, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 73 LEU HN 73 LEU QB 3.28 (#peak 621) &rst ixpk= 621, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 804, 805, &end # # 73 LEU HN 73 LEU QQD 3.41 (#peak 612) &rst ixpk= 612, nxpk= 0, iat= 800, 806, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 73 LEU HN 75 GLN HN 3.99 (#peak 615) &rst ixpk= 615, nxpk= 0, iat= 800, 831, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 73 LEU QD1 83 GLN HA 3.42 (#peak 235) &rst ixpk= 235, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 809, 810, 811, &end # # 73 LEU QD2 83 GLN HA 3.42 (#peak 716) &rst ixpk= 716, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 813, 814, 815, &end # # 73 LEU QQD 83 GLN QB 3.36 (#peak 571) &rst ixpk= 571, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 936, 937, &end # # 73 LEU QQD 83 GLN QG 4.27 (#peak 206) &rst ixpk= 206, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 939, 940, &end # # 73 LEU QQD 86 LEU QB 4.52 (#peak 715) &rst ixpk= 715, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 984, 985, &end # # 73 LEU QQD 86 LEU QQD 4.17 (#peak 717) &rst ixpk= 717, nxpk= 0, iat= 806, 986, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 73 LEU QQD 95 VAL HB 6.42 (#peak 197) &rst ixpk= 197, nxpk= 0, iat= 806,1129, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 73 LEU QQD 95 VAL QQG 4.38 (#peak 202) &rst ixpk= 202, nxpk= 0, iat= 806,1128, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 74 ASP- HN 74 ASP- HA 2.90 (#peak 416) &rst ixpk= 416, nxpk= 0, iat= 819, 821, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 74 ASP- HN 74 ASP- QB 2.85 (#peak 414) &rst ixpk= 414, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 823, 824, &end # # 74 ASP- HN 75 GLN HN 2.40 (#peak 410) &rst ixpk= 410, nxpk= 0, iat= 819, 831, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 74 ASP- HN 75 GLN QB 5.34 (#peak 731) &rst ixpk= 731, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 835, 836, &end # # 74 ASP- HN 76 VAL HN 5.50 (#peak 408) &rst ixpk= 408, nxpk= 0, iat= 819, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 ASP- QB 75 GLN HN 3.47 (#peak 314) &rst ixpk= 314, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1= 823, 824, &end # # 75 GLN HN 75 GLN QB 2.39 (#peak 315) &rst ixpk= 315, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 835, 836, &end # # 75 GLN HN 76 VAL HN 2.40 (#peak 312) &rst ixpk= 312, nxpk= 0, iat= 831, 848, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 75 GLN HN 76 VAL QQG 3.47 (#peak 311) &rst ixpk= 311, nxpk= 0, iat= 831, 851, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 75 GLN QB 76 VAL HN 2.82 (#peak 171) &rst ixpk= 171, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr1= 835, 836, &end # # 76 VAL HA 77 ASP- HN 3.52 (#peak 105) &rst ixpk= 105, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 76 VAL HB 78 ASP- HN 3.14 (#peak 765) &rst ixpk= 765, nxpk= 0, iat= 852, 876, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 76 VAL HN 76 VAL HB 3.05 (#peak 170) &rst ixpk= 170, nxpk= 0, iat= 848, 852, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 76 VAL HN 76 VAL QQG 3.41 (#peak 162) &rst ixpk= 162, nxpk= 0, iat= 848, 851, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 76 VAL HN 77 ASP- HN 4.97 (#peak 104) &rst ixpk= 104, nxpk= 0, iat= 848, 864, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 76 VAL HN 79 GLY QA 3.89 (#peak 164) &rst ixpk= 164, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 890, 891, &end # # 76 VAL QQG 78 ASP- HN 3.83 (#peak 766) &rst ixpk= 766, nxpk= 0, iat= 851, 876, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 76 VAL QQG 79 GLY HN 3.41 (#peak 544) &rst ixpk= 544, nxpk= 0, iat= 851, 888, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 76 VAL QQG 79 GLY QA 3.04 (#peak 739) &rst ixpk= 739, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 890, 891, &end # # 76 VAL QQG 82 VAL HB 3.41 (#peak 896) &rst ixpk= 896, nxpk= 0, iat= 851, 920, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 76 VAL QQG 82 VAL QQG 7.23 (#peak 1107) &rst ixpk= 1107, nxpk= 0, iat= 851, 919, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, &end # # 78 ASP- HA 80 ALA HN 3.11 (#peak 735) &rst ixpk= 735, nxpk= 0, iat= 878, 895, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 78 ASP- HA 81 SER HN 5.50 (#peak 732) &rst ixpk= 732, nxpk= 0, iat= 878, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ASP- HN 79 GLY HN 2.65 (#peak 552) &rst ixpk= 552, nxpk= 0, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 78 ASP- HN 79 GLY QA 4.03 (#peak 762) &rst ixpk= 762, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 890, 891, &end # # 78 ASP- QB 79 GLY HN 4.29 (#peak 551) &rst ixpk= 551, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 880, 881, &end # # 78 ASP- QB 80 ALA QB 5.92 (#peak 1061) &rst ixpk= 1061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48, igr1= 880, 881, igr2= 899, 900, 901, &end # # 78 ASP- QB 81 SER HN 3.15 (#peak 107) &rst ixpk= 107, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr1= 880, 881, &end # # 79 GLY HN 79 GLY HA2 2.72 (#peak 546) &rst ixpk= 546, nxpk= 0, iat= 888, 890, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 79 GLY HN 79 GLY HA3 2.72 (#peak 549) &rst ixpk= 549, nxpk= 0, iat= 888, 891, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 79 GLY HN 80 ALA QB 6.52 (#peak 553) &rst ixpk= 553, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2= 899, 900, 901, &end # # 79 GLY HN 82 VAL HB 5.50 (#peak 894) &rst ixpk= 894, nxpk= 0, iat= 888, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 GLY HN 82 VAL QQG 6.55 (#peak 547) &rst ixpk= 547, nxpk= 0, iat= 888, 919, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end # # 80 ALA HA 84 GLU- HN 5.50 (#peak 184) &rst ixpk= 184, nxpk= 0, iat= 897, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 80 ALA HA 84 GLU- QB 4.43 (#peak 394) &rst ixpk= 394, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 953, 954, &end # # 80 ALA HN 81 SER HN 3.24 (#peak 114) &rst ixpk= 114, nxpk= 0, iat= 895, 905, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 80 ALA QB 81 SER HN 3.42 (#peak 113) &rst ixpk= 113, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 899, 900, 901, &end # # 81 SER HA 82 VAL HN 3.56 (#peak 815) &rst ixpk= 815, nxpk= 0, iat= 907, 916, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 81 SER HA 83 GLN HN 5.50 (#peak 554) &rst ixpk= 554, nxpk= 0, iat= 907, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 SER HN 81 SER HA 2.87 (#peak 109) &rst ixpk= 109, nxpk= 0, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 81 SER HN 81 SER QB 2.39 (#peak 106) &rst ixpk= 106, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 909, 910, &end # # 81 SER HN 82 VAL HB 5.50 (#peak 112) &rst ixpk= 112, nxpk= 0, iat= 905, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 SER HN 82 VAL HN 2.46 (#peak 812) &rst ixpk= 812, nxpk= 0, iat= 905, 916, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end # # 81 SER HN 82 VAL QQG 3.79 (#peak 115) &rst ixpk= 115, nxpk= 0, iat= 905, 919, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 81 SER QB 82 VAL HN 2.42 (#peak 811) &rst ixpk= 811, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, igr1= 909, 910, &end # # 82 VAL HA 84 GLU- HN 3.98 (#peak 230) &rst ixpk= 230, nxpk= 0, iat= 918, 949, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 82 VAL HN 82 VAL HA 2.70 (#peak 813) &rst ixpk= 813, nxpk= 0, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 82 VAL HN 82 VAL HB 2.40 (#peak 816) &rst ixpk= 816, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 82 VAL HN 82 VAL QQG 3.41 (#peak 814) &rst ixpk= 814, nxpk= 0, iat= 916, 919, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 82 VAL QG1 83 GLN HN 4.10 (#peak 121) &rst ixpk= 121, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 922, 923, 924, &end # # 82 VAL QG2 83 GLN HN 4.10 (#peak 125) &rst ixpk= 125, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 926, 927, 928, &end # # 82 VAL QQG 83 GLN HN 3.22 (#peak 121) &rst ixpk= 121, nxpk= 0, iat= 919, 932, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 83 GLN HN 83 GLN QB 2.39 (#peak 123) &rst ixpk= 123, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 936, 937, &end # # 83 GLN HN 83 GLN QG 6.38 (#peak 124) &rst ixpk= 124, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 939, 940, &end # # 83 GLN HN 84 GLU- HN 2.40 (#peak 120) &rst ixpk= 120, nxpk= 0, iat= 932, 949, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 83 GLN QG 95 VAL QQG 6.25 (#peak 563) &rst ixpk= 563, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 939, 940, &end # # 83 GLN QG 96 PRO HA 6.38 (#peak 1292) &rst ixpk= 1292, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 939, 940, &end # # 84 GLU- HN 84 GLU- QG 3.62 (#peak 183) &rst ixpk= 183, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 956, 957, &end # # 84 GLU- HN 86 LEU HN 3.42 (#peak 179) &rst ixpk= 179, nxpk= 0, iat= 949, 980, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 85 VAL HB 86 LEU HN 3.70 (#peak 63) &rst ixpk= 63, nxpk= 0, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 85 VAL HN 85 VAL HB 2.40 (#peak 377) &rst ixpk= 377, nxpk= 0, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 85 VAL HN 85 VAL QQG 3.41 (#peak 381) &rst ixpk= 381, nxpk= 0, iat= 964, 967, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 85 VAL HN 86 LEU HA 4.95 (#peak 376) &rst ixpk= 376, nxpk= 0, iat= 964, 982, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 85 VAL HN 86 LEU HN 2.40 (#peak 64) &rst ixpk= 64, nxpk= 0, iat= 964, 980, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 85 VAL HN 86 LEU QB 5.00 (#peak 684) &rst ixpk= 684, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 984, 985, &end # # 85 VAL HN 87 THR HB 5.50 (#peak 172) &rst ixpk= 172, nxpk= 0, iat= 964,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 VAL HN 87 THR HN 5.50 (#peak 794) &rst ixpk= 794, nxpk= 0, iat= 964, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 VAL QQG 86 LEU HN 3.41 (#peak 66) &rst ixpk= 66, nxpk= 0, iat= 967, 980, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 86 LEU HA 89 ILE HN 3.95 (#peak 364) &rst ixpk= 364, nxpk= 0, iat= 982,1028, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 86 LEU HA 89 ILE QD1 3.42 (#peak 828) &rst ixpk= 828, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1041,1042,1043, &end # # 86 LEU HN 86 LEU QB 2.39 (#peak 65) &rst ixpk= 65, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2= 984, 985, &end # # 86 LEU HN 87 THR HB 5.50 (#peak 170) &rst ixpk= 170, nxpk= 0, iat= 980,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 LEU HN 88 GLU- QB 5.34 (#peak 58) &rst ixpk= 58, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1017,1018, &end # # 86 LEU HN 89 ILE HA 6.93 (#peak 59) &rst ixpk= 59, nxpk= 0, iat= 980,1030, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end # # 86 LEU QQD 87 THR HN 3.99 (#peak 793) &rst ixpk= 793, nxpk= 0, iat= 986, 999, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 86 LEU QQD 89 ILE QD1 4.41 (#peak 1104) &rst ixpk= 1104, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1041,1042,1043, &end # # 86 LEU QQD 90 SER HN 5.82 (#peak 799) &rst ixpk= 799, nxpk= 0, iat= 986,1047, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 86 LEU QQD 97 ASN HN 4.35 (#peak 819) &rst ixpk= 819, nxpk= 0, iat= 986,1155, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 86 LEU QQD 97 ASN QD2 3.71 (#peak 274) &rst ixpk= 274, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=1164,1165, &end # # 87 THR HA 88 GLU- HN 3.52 (#peak 73) &rst ixpk= 73, nxpk= 0, iat=1001,1013, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 87 THR HA 89 ILE HN 4.14 (#peak 756) &rst ixpk= 756, nxpk= 0, iat=1001,1028, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 87 THR HA 92 GLN HN 4.01 (#peak 688) &rst ixpk= 688, nxpk= 0, iat=1001,1072, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 87 THR HB 88 GLU- HN 2.65 (#peak 69) &rst ixpk= 69, nxpk= 0, iat=1003,1013, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 87 THR HN 87 THR HA 2.77 (#peak 795) &rst ixpk= 795, nxpk= 0, iat= 999,1001, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end # # 87 THR HN 87 THR HB 2.40 (#peak 792) &rst ixpk= 792, nxpk= 0, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 87 THR HN 87 THR QG2 3.76 (#peak 796) &rst ixpk= 796, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=1005,1006,1007, &end # # 87 THR HN 88 GLU- HN 3.89 (#peak 791) &rst ixpk= 791, nxpk= 0, iat= 999,1013, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 87 THR HN 88 GLU- QB 5.34 (#peak 790) &rst ixpk= 790, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1017,1018, &end # # 87 THR QG2 88 GLU- HN 3.42 (#peak 74) &rst ixpk= 74, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1005,1006,1007, &end # # 87 THR QG2 89 ILE HN 6.52 (#peak 758) &rst ixpk= 758, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1=1005,1006,1007, &end # # 87 THR QG2 91 ASN HN 4.63 (#peak 389) &rst ixpk= 389, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1005,1006,1007, &end # # 87 THR QG2 92 GLN HN 3.73 (#peak 631) &rst ixpk= 631, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=1005,1006,1007, &end # # 88 GLU- HN 88 GLU- QB 2.39 (#peak 68) &rst ixpk= 68, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1017,1018, &end # # 88 GLU- HN 89 ILE HG12 5.50 (#peak 75) &rst ixpk= 75, nxpk= 0, iat=1013,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 GLU- HN 89 ILE HG13 5.50 (#peak 72) &rst ixpk= 72, nxpk= 0, iat=1013,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 GLU- HN 89 ILE HN 2.40 (#peak 76) &rst ixpk= 76, nxpk= 0, iat=1013,1028, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 88 GLU- HN 89 ILE QG2 6.52 (#peak 1185) &rst ixpk= 1185, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1034,1035,1036, &end # # 88 GLU- QB 89 ILE HN 3.97 (#peak 29) &rst ixpk= 29, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=1017,1018, &end # # 89 ILE HA 90 SER HN 3.53 (#peak 797) &rst ixpk= 797, nxpk= 0, iat=1030,1047, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 89 ILE HA 91 ASN HN 5.50 (#peak 33) &rst ixpk= 33, nxpk= 0, iat=1030,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 ILE HA 99 PHE HD 7.63 (#peak 42) &rst ixpk= 42, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr2=1196,1204, &end # # 89 ILE HB 90 SER HN 2.59 (#peak 802) &rst ixpk= 802, nxpk= 0, iat=1032,1047, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end # # 89 ILE HB 91 ASN HN 5.50 (#peak 386) &rst ixpk= 386, nxpk= 0, iat=1032,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 ILE HN 89 ILE HB 2.40 (#peak 757) &rst ixpk= 757, nxpk= 0, iat=1028,1032, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 89 ILE HN 89 ILE QG1 2.39 (#peak 755) &rst ixpk= 755, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1038,1039, &end # # 89 ILE HN 89 ILE QG2 6.18 (#peak 760) &rst ixpk= 760, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92, igr2=1034,1035,1036, &end # # 89 ILE HN 90 SER HN 4.29 (#peak 761) &rst ixpk= 761, nxpk= 0, iat=1028,1047, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 89 ILE QG1 90 SER HN 5.17 (#peak 800) &rst ixpk= 800, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1038,1039, &end # # 89 ILE QG2 90 SER HN 4.16 (#peak 806) &rst ixpk= 806, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1034,1035,1036, &end # # 89 ILE QG2 99 PHE HZ 3.91 (#peak 1189) &rst ixpk= 1189, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1034,1035,1036, &end # # 90 SER HA 92 GLN HN 5.50 (#peak 1191) &rst ixpk= 1191, nxpk= 0, iat=1049,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 SER HN 90 SER HB2 3.02 (#peak 698) &rst ixpk= 698, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 90 SER HN 90 SER HB3 3.02 (#peak 798) &rst ixpk= 798, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 90 SER HN 90 SER QB 2.49 (#peak 698) &rst ixpk= 698, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, igr2=1051,1052, &end # # 90 SER HN 91 ASN HN 2.40 (#peak 391) &rst ixpk= 391, nxpk= 0, iat=1047,1058, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 90 SER HN 92 GLN HN 3.05 (#peak 804) &rst ixpk= 804, nxpk= 0, iat=1047,1072, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 90 SER QB 92 GLN HA 5.34 (#peak 696) &rst ixpk= 696, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1051,1052, &end # # 90 SER QB 92 GLN HN 3.32 (#peak 624) &rst ixpk= 624, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr1=1051,1052, &end # # 90 SER QB 92 GLN QB 2.72 (#peak 699) &rst ixpk= 699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr1=1051,1052, igr2=1076,1077, &end # # 90 SER QB 99 PHE HZ 4.21 (#peak 177) &rst ixpk= 177, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=1051,1052, &end # # 91 ASN HA 92 GLN HN 3.02 (#peak 368) &rst ixpk= 368, nxpk= 0, iat=1060,1072, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 91 ASN HN 91 ASN HA 2.40 (#peak 385) &rst ixpk= 385, nxpk= 0, iat=1058,1060, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 91 ASN HN 91 ASN QB 2.99 (#peak 387) &rst ixpk= 387, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1062,1063, &end # # 91 ASN HN 92 GLN HN 2.40 (#peak 627) &rst ixpk= 627, nxpk= 0, iat=1058,1072, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 91 ASN QB 92 GLN HN 3.74 (#peak 623) &rst ixpk= 623, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1062,1063, &end # # 92 GLN HA 94 THR HN 4.51 (#peak 637) &rst ixpk= 637, nxpk= 0, iat=1074,1111, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 92 GLN HG2 94 THR HN 3.15 (#peak 639) &rst ixpk= 639, nxpk= 0, iat=1079,1111, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 92 GLN HG3 94 THR HN 3.15 (#peak 641) &rst ixpk= 641, nxpk= 0, iat=1080,1111, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 92 GLN HN 92 GLN HB2 4.04 (#peak 1234) &rst ixpk= 1234, nxpk= 0, iat=1072,1076, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 92 GLN HN 92 GLN HB3 4.04 (#peak 630) &rst ixpk= 630, nxpk= 0, iat=1072,1077, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 92 GLN HN 92 GLN QB 3.23 (#peak 1234) &rst ixpk= 1234, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2=1076,1077, &end # # 92 GLN HN 92 GLN QG 4.38 (#peak 551) &rst ixpk= 551, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1079,1080, &end # # 92 GLN QB 94 THR HN 4.97 (#peak 1235) &rst ixpk= 1235, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=1076,1077, &end # # 92 GLN QB 97 ASN QD2 3.99 (#peak 139) &rst ixpk= 139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=1076,1077, igr2=1164,1165, &end # # 92 GLN QE2 94 THR HB 5.34 (#peak 397) &rst ixpk= 397, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1084,1085, &end # # 92 GLN QE2 94 THR HN 2.38 (#peak 642) &rst ixpk= 642, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, igr1=1084,1085, &end # # 92 GLN QE2 97 ASN HA 5.34 (#peak 789) &rst ixpk= 789, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1084,1085, &end # # 92 GLN QG 94 THR HN 2.28 (#peak 641) &rst ixpk= 641, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, igr1=1079,1080, &end # # 94 THR HB 95 VAL HN 2.40 (#peak 173) &rst ixpk= 173, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 94 THR HN 94 THR HB 3.14 (#peak 638) &rst ixpk= 638, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 94 THR HN 94 THR QG2 3.80 (#peak 644) &rst ixpk= 644, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=1117,1118,1119, &end # # 94 THR HN 95 VAL HN 5.50 (#peak 177) &rst ixpk= 177, nxpk= 0, iat=1111,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 THR QG2 95 VAL HN 6.52 (#peak 178) &rst ixpk= 178, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1=1117,1118,1119, &end # # 95 VAL HA 96 PRO HA 4.69 (#peak 1291) &rst ixpk= 1291, nxpk= 0, iat=1127,1151, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 95 VAL HA 97 ASN HA 6.80 (#peak 900) &rst ixpk= 900, nxpk= 0, iat=1127,1157, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end # # 95 VAL HA 97 ASN HN 5.83 (#peak 568) &rst ixpk= 568, nxpk= 0, iat=1127,1155, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 95 VAL HA 97 ASN QB 7.30 (#peak 430) &rst ixpk= 430, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2=1159,1160, &end # # 95 VAL HB 96 PRO HA 4.45 (#peak 228) &rst ixpk= 228, nxpk= 0, iat=1129,1151, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 95 VAL HB 97 ASN HN 5.50 (#peak 817) &rst ixpk= 817, nxpk= 0, iat=1129,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 VAL HN 95 VAL HB 3.42 (#peak 172) &rst ixpk= 172, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 95 VAL HN 95 VAL QQG 3.41 (#peak 174) &rst ixpk= 174, nxpk= 0, iat=1125,1128, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 95 VAL QQG 97 ASN QB 7.26 (#peak 558) &rst ixpk= 558, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr2=1159,1160, &end # # 96 PRO QB 98 ILE QD1 4.35 (#peak 286) &rst ixpk= 286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1148,1149, igr2=1182,1183,1184, &end # # 97 ASN HA 98 ILE QD1 3.42 (#peak 577) &rst ixpk= 577, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1182,1183,1184, &end # # 97 ASN HN 97 ASN HA 2.77 (#peak 824) &rst ixpk= 824, nxpk= 0, iat=1155,1157, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end # # 97 ASN HN 98 ILE HN 5.50 (#peak 560) &rst ixpk= 560, nxpk= 0, iat=1155,1169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 97 ASN HN 98 ILE QD1 4.69 (#peak 578) &rst ixpk= 578, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1182,1183,1184, &end # # 97 ASN HN 98 ILE QG2 6.80 (#peak 818) &rst ixpk= 818, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=1175,1176,1177, &end # # 97 ASN QB 98 ILE HN 4.30 (#peak 556) &rst ixpk= 556, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1159,1160, &end # # 98 ILE HA 99 PHE HN 2.40 (#peak 505) &rst ixpk= 505, nxpk= 0, iat=1171,1188, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 98 ILE HA 106 GLY HN 5.50 (#peak 741) &rst ixpk= 741, nxpk= 0, iat=1171,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 ILE HB 99 PHE HN 5.50 (#peak 511) &rst ixpk= 511, nxpk= 0, iat=1173,1188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 ILE HB 105 VAL HB 2.40 (#peak 1247) &rst ixpk= 1247, nxpk= 0, iat=1173,1297, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 98 ILE HN 98 ILE HB 3.79 (#peak 1249) &rst ixpk= 1249, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 98 ILE HN 98 ILE QD1 6.52 (#peak 557) &rst ixpk= 557, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1182,1183,1184, &end # # 98 ILE HN 98 ILE QG2 6.52 (#peak 554) &rst ixpk= 554, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1175,1176,1177, &end # # 98 ILE HN 99 PHE HN 5.50 (#peak 558) &rst ixpk= 558, nxpk= 0, iat=1169,1188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 ILE HN 106 GLY HN 3.30 (#peak 278) &rst ixpk= 278, nxpk= 0, iat=1169,1309, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 98 ILE QD1 111 THR HB 4.54 (#peak 574) &rst ixpk= 574, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1182,1183,1184, &end # # 98 ILE QG1 99 PHE HN 5.05 (#peak 508) &rst ixpk= 508, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1179,1180, &end # # 98 ILE QG1 105 VAL HB 4.58 (#peak 671) &rst ixpk= 671, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1179,1180, &end # # 98 ILE QG1 111 THR HB 5.64 (#peak 908) &rst ixpk= 908, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1=1179,1180, &end # # 98 ILE QG1 111 THR QG2 4.30 (#peak 905) &rst ixpk= 905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1179,1180, igr2=1376,1377,1378, &end # # 98 ILE QG2 99 PHE HN 3.42 (#peak 503) &rst ixpk= 503, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1175,1176,1177, &end # # 98 ILE QG2 105 VAL HB 3.42 (#peak 668) &rst ixpk= 668, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1175,1176,1177, &end # # 98 ILE QG2 105 VAL QG1 4.44 (#peak 153) &rst ixpk= 153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1175,1176,1177, igr2=1299,1300,1301, &end # # 98 ILE QG2 105 VAL QG2 4.44 (#peak 979) &rst ixpk= 979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1175,1176,1177, igr2=1303,1304,1305, &end # # 98 ILE QG2 111 THR QG2 4.44 (#peak 238) &rst ixpk= 238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1175,1176,1177, igr2=1376,1377,1378, &end # # 99 PHE HA 100 VAL QQG 3.41 (#peak 817) &rst ixpk= 817, nxpk= 0, iat=1190,1211, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 99 PHE HA 104 HIS HA 4.38 (#peak 666) &rst ixpk= 666, nxpk= 0, iat=1190,1278, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 99 PHE HB2 103 VAL QG1 7.00 (#peak 337) &rst ixpk= 337, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1266,1267,1268, &end # # 99 PHE HB2 103 VAL QG2 7.00 (#peak 914) &rst ixpk= 914, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1270,1271,1272, &end # # 99 PHE HB3 103 VAL QG1 7.00 (#peak 406) &rst ixpk= 406, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1266,1267,1268, &end # # 99 PHE HB3 103 VAL QG2 7.00 (#peak 409) &rst ixpk= 409, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1270,1271,1272, &end # # 99 PHE HN 99 PHE QB 2.68 (#peak 509) &rst ixpk= 509, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, igr2=1192,1193, &end # # 99 PHE HN 100 VAL HN 4.41 (#peak 510) &rst ixpk= 510, nxpk= 0, iat=1188,1208, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 99 PHE HZ 104 HIS HB2 5.50 (#peak 150) &rst ixpk= 150, nxpk= 0, iat=1200,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 99 PHE HZ 104 HIS HB3 5.50 (#peak 96) &rst ixpk= 96, nxpk= 0, iat=1200,1281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 99 PHE HD 100 VAL HN 6.08 (#peak 729) &rst ixpk= 729, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1=1196,1204, &end # # 99 PHE HD 102 LYS+ HA 6.05 (#peak 93) &rst ixpk= 93, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1=1196,1204, &end # # 99 PHE HD 103 VAL HA 7.63 (#peak 819) &rst ixpk= 819, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1=1196,1204, &end # # 99 PHE HD 103 VAL HN 7.63 (#peak 42) &rst ixpk= 42, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1=1196,1204, &end # # 99 PHE HD 103 VAL QQG 5.67 (#peak 335) &rst ixpk= 335, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1196,1204, &end # # 99 PHE HD 104 HIS HA 5.30 (#peak 663) &rst ixpk= 663, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1196,1204, &end # # 99 PHE HD 104 HIS HB2 6.33 (#peak 145) &rst ixpk= 145, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr1=1196,1204, &end # # 99 PHE HD 104 HIS HB3 6.33 (#peak 975) &rst ixpk= 975, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr1=1196,1204, &end # # 99 PHE HD 104 HIS HN 5.71 (#peak 736) &rst ixpk= 736, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1=1196,1204, &end # # 99 PHE HD 104 HIS QB 5.52 (#peak 975) &rst ixpk= 975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1=1196,1204, igr2=1280,1281, &end # # 100 VAL HA 102 LYS+ HN 3.44 (#peak 264) &rst ixpk= 264, nxpk= 0, iat=1210,1238, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 100 VAL HA 123 LEU QQD 4.35 (#peak 1047) &rst ixpk= 1047, nxpk= 0, iat=1210,1569, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 100 VAL HB 101 ASN HN 5.00 (#peak 747) &rst ixpk= 747, nxpk= 0, iat=1212,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 100 VAL HB 123 LEU QQD 4.56 (#peak 1050) &rst ixpk= 1050, nxpk= 0, iat=1212,1569, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 100 VAL HB 124 LEU QQD 4.41 (#peak 744) &rst ixpk= 744, nxpk= 0, iat=1212,1588, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 100 VAL HN 100 VAL HA 2.90 (#peak 727) &rst ixpk= 727, nxpk= 0, iat=1208,1210, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 100 VAL HN 100 VAL QG1 4.54 (#peak 257) &rst ixpk= 257, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2=1214,1215,1216, &end # # 100 VAL HN 100 VAL QG2 4.54 (#peak 733) &rst ixpk= 733, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2=1218,1219,1220, &end # # 100 VAL HN 100 VAL QQG 3.32 (#peak 733) &rst ixpk= 733, nxpk= 0, iat=1208,1211, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 100 VAL HN 101 ASN HN 5.50 (#peak 731) &rst ixpk= 731, nxpk= 0, iat=1208,1224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 VAL HN 103 VAL HN 2.71 (#peak 46) &rst ixpk= 46, nxpk= 0, iat=1208,1260, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end # # 100 VAL QG1 101 ASN HN 4.15 (#peak 514) &rst ixpk= 514, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1214,1215,1216, &end # # 100 VAL QG2 101 ASN HN 4.15 (#peak 520) &rst ixpk= 520, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1218,1219,1220, &end # # 100 VAL QQG 101 ASN QB 3.04 (#peak 916) &rst ixpk= 916, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=1228,1229, &end # # 100 VAL QQG 123 LEU QQD 3.93 (#peak 1085) &rst ixpk= 1085, nxpk= 0, iat=1211,1569, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 100 VAL QQG 124 LEU HA 6.42 (#peak 215) &rst ixpk= 215, nxpk= 0, iat=1211,1584, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 100 VAL QQG 124 LEU HG 6.42 (#peak 259) &rst ixpk= 259, nxpk= 0, iat=1211,1589, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 100 VAL QQG 124 LEU QB 3.04 (#peak 248) &rst ixpk= 248, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=1586,1587, &end # # 100 VAL QQG 124 LEU QQD 4.38 (#peak 70) &rst ixpk= 70, nxpk= 0, iat=1211,1588, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 101 ASN HA 103 VAL HN 4.52 (#peak 91) &rst ixpk= 91, nxpk= 0, iat=1226,1260, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 101 ASN HN 101 ASN QB 2.91 (#peak 513) &rst ixpk= 513, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=1228,1229, &end # # 101 ASN HN 102 LYS+ HN 2.63 (#peak 515) &rst ixpk= 515, nxpk= 0, iat=1224,1238, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end # # 101 ASN HN 103 VAL HN 5.50 (#peak 44) &rst ixpk= 44, nxpk= 0, iat=1224,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 101 ASN QB 123 LEU QQD 3.94 (#peak 917) &rst ixpk= 917, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=1228,1229, &end # # 101 ASN QD2 103 VAL QQG 3.74 (#peak 683) &rst ixpk= 683, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1233,1234, &end # # 101 ASN QD2 124 LEU HA 3.50 (#peak 682) &rst ixpk= 682, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1233,1234, &end # # 102 LYS+ HN 102 LYS+ HA 2.40 (#peak 262) &rst ixpk= 262, nxpk= 0, iat=1238,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 102 LYS+ HN 102 LYS+ QG 2.39 (#peak 270) &rst ixpk= 270, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1245,1246, &end # # 102 LYS+ HN 103 VAL HB 5.50 (#peak 265) &rst ixpk= 265, nxpk= 0, iat=1238,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 LYS+ HN 103 VAL HN 2.46 (#peak 261) &rst ixpk= 261, nxpk= 0, iat=1238,1260, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end # # 102 LYS+ HN 103 VAL QQG 4.65 (#peak 269) &rst ixpk= 269, nxpk= 0, iat=1238,1263, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 102 LYS+ QB 103 VAL HN 3.94 (#peak 1087) &rst ixpk= 1087, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=1242,1243, &end # # 103 VAL HA 104 HIS HN 2.40 (#peak 740) &rst ixpk= 740, nxpk= 0, iat=1262,1276, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 103 VAL HB 104 HIS HA 5.75 (#peak 466) &rst ixpk= 466, nxpk= 0, iat=1264,1278, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 103 VAL HB 104 HIS HN 3.84 (#peak 737) &rst ixpk= 737, nxpk= 0, iat=1264,1276, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 103 VAL HB 123 LEU QQD 4.34 (#peak 540) &rst ixpk= 540, nxpk= 0, iat=1264,1569, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 103 VAL HN 103 VAL HB 4.11 (#peak 43) &rst ixpk= 43, nxpk= 0, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 103 VAL HN 103 VAL QQG 3.41 (#peak 40) &rst ixpk= 40, nxpk= 0, iat=1260,1263, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 103 VAL QG1 104 HIS HB2 6.42 (#peak 333) &rst ixpk= 333, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1=1266,1267,1268, &end # # 103 VAL QG1 104 HIS HB3 6.42 (#peak 333) &rst ixpk= 333, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1=1266,1267,1268, &end # # 103 VAL QG2 104 HIS HB2 6.42 (#peak 148) &rst ixpk= 148, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1=1270,1271,1272, &end # # 103 VAL QG2 104 HIS HB3 6.42 (#peak 333) &rst ixpk= 333, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1=1270,1271,1272, &end # # 103 VAL QQG 104 HIS HN 3.41 (#peak 742) &rst ixpk= 742, nxpk= 0, iat=1263,1276, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 103 VAL QQG 104 HIS QB 4.04 (#peak 333) &rst ixpk= 333, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1280,1281, &end # # 103 VAL QQG 123 LEU QQD 3.69 (#peak 542) &rst ixpk= 542, nxpk= 0, iat=1263,1569, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 104 HIS HA 105 VAL HN 2.40 (#peak 525) &rst ixpk= 525, nxpk= 0, iat=1278,1293, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 104 HIS HD2 105 VAL HN 5.16 (#peak 524) &rst ixpk= 524, nxpk= 0, iat=1289,1293, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 104 HIS HN 105 VAL HN 5.50 (#peak 739) &rst ixpk= 739, nxpk= 0, iat=1276,1293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 HIS QB 105 VAL HA 5.34 (#peak 1170) &rst ixpk= 1170, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1280,1281, &end # # 104 HIS QB 105 VAL HN 2.80 (#peak 521) &rst ixpk= 521, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1280,1281, &end # # 104 HIS QB 106 GLY HN 4.26 (#peak 974) &rst ixpk= 974, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1=1280,1281, &end # # 105 VAL HB 106 GLY HN 2.40 (#peak 275) &rst ixpk= 275, nxpk= 0, iat=1297,1309, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 105 VAL HN 105 VAL HB 2.40 (#peak 526) &rst ixpk= 526, nxpk= 0, iat=1293,1297, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 105 VAL HN 105 VAL QQG 3.41 (#peak 522) &rst ixpk= 522, nxpk= 0, iat=1293,1296, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 105 VAL HN 106 GLY HN 2.40 (#peak 276) &rst ixpk= 276, nxpk= 0, iat=1293,1309, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 105 VAL QG1 106 GLY HN 4.88 (#peak 273) &rst ixpk= 273, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1299,1300,1301, &end # # 105 VAL QG2 106 GLY HN 4.88 (#peak 980) &rst ixpk= 980, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1303,1304,1305, &end # # 105 VAL QQG 106 GLY HN 3.36 (#peak 273) &rst ixpk= 273, nxpk= 0, iat=1296,1309, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 105 VAL QQG 106 GLY QA 4.85 (#peak 471) &rst ixpk= 471, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=1311,1312, &end # # 105 VAL QQG 110 ARG+ QB 3.39 (#peak 8) &rst ixpk= 8, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2=1350,1351, &end # # 105 VAL QQG 111 THR HA 3.41 (#peak 160) &rst ixpk= 160, nxpk= 0, iat=1296,1372, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 105 VAL QQG 111 THR HB 6.42 (#peak 476) &rst ixpk= 476, nxpk= 0, iat=1296,1374, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 105 VAL QQG 111 THR QG2 4.41 (#peak 14) &rst ixpk= 14, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1376,1377,1378, &end # # 106 GLY HN 106 GLY QA 2.30 (#peak 274) &rst ixpk= 274, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, igr2=1311,1312, &end # # 106 GLY HN 107 GLY HN 3.24 (#peak 53) &rst ixpk= 53, nxpk= 0, iat=1309,1316, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 106 GLY HN 107 GLY QA 5.34 (#peak 281) &rst ixpk= 281, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1318,1319, &end # # 106 GLY QA 110 ARG+ QB 2.25 (#peak 10) &rst ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, igr1=1311,1312, igr2=1350,1351, &end # # 107 GLY HA2 111 THR HN 3.47 (#peak 214) &rst ixpk= 214, nxpk= 0, iat=1318,1370, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 107 GLY HA3 111 THR HN 3.47 (#peak 210) &rst ixpk= 210, nxpk= 0, iat=1319,1370, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 107 GLY HN 107 GLY HA2 2.90 (#peak 56) &rst ixpk= 56, nxpk= 0, iat=1316,1318, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 107 GLY HN 107 GLY HA3 2.90 (#peak 51) &rst ixpk= 51, nxpk= 0, iat=1316,1319, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 107 GLY HN 107 GLY QA 2.29 (#peak 51) &rst ixpk= 51, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, igr2=1318,1319, &end # # 107 GLY HN 110 ARG+ HN 3.24 (#peak 55) &rst ixpk= 55, nxpk= 0, iat=1316,1346, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 107 GLY HN 110 ARG+ QB 2.41 (#peak 50) &rst ixpk= 50, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, igr2=1350,1351, &end # # 107 GLY HN 110 ARG+ QD 4.19 (#peak 164) &rst ixpk= 164, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1356,1357, &end # # 107 GLY QA 110 ARG+ HN 3.67 (#peak 986) &rst ixpk= 986, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1=1318,1319, &end # # 107 GLY QA 111 THR HN 2.27 (#peak 214) &rst ixpk= 214, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, igr1=1318,1319, &end # # 110 ARG+ HA 120 LEU QQD 6.42 (#peak 674) &rst ixpk= 674, nxpk= 0, iat=1348,1511, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 110 ARG+ HN 110 ARG+ HD2 5.50 (#peak 468) &rst ixpk= 468, nxpk= 0, iat=1346,1356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 110 ARG+ HN 110 ARG+ HD3 5.50 (#peak 989) &rst ixpk= 989, nxpk= 0, iat=1346,1357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 110 ARG+ HN 110 ARG+ QB 3.64 (#peak 11) &rst ixpk= 11, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2=1350,1351, &end # # 110 ARG+ HN 110 ARG+ QG 6.38 (#peak 471) &rst ixpk= 471, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2=1353,1354, &end # # 110 ARG+ HN 111 THR HN 2.55 (#peak 213) &rst ixpk= 213, nxpk= 0, iat=1346,1370, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end # # 110 ARG+ QB 111 THR HN 2.38 (#peak 208) &rst ixpk= 208, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, igr1=1350,1351, &end # # 110 ARG+ QD 111 THR HN 2.78 (#peak 215) &rst ixpk= 215, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr1=1356,1357, &end # # 110 ARG+ QD 120 LEU QQD 3.94 (#peak 166) &rst ixpk= 166, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=1356,1357, &end # # 111 THR HA 114 ALA QB 3.42 (#peak 994) &rst ixpk= 994, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1425,1426,1427, &end # # 111 THR HB 112 PHE HN 5.50 (#peak 4) &rst ixpk= 4, nxpk= 0, iat=1374,1384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 111 THR HN 111 THR HB 2.65 (#peak 212) &rst ixpk= 212, nxpk= 0, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 111 THR HN 111 THR QG2 3.67 (#peak 209) &rst ixpk= 209, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1376,1377,1378, &end # # 111 THR HN 112 PHE HN 4.79 (#peak 207) &rst ixpk= 207, nxpk= 0, iat=1370,1384, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 111 THR HN 112 PHE QB 5.36 (#peak 1174) &rst ixpk= 1174, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1388,1389, &end # # 111 THR QG2 112 PHE HN 3.85 (#peak 1) &rst ixpk= 1, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1376,1377,1378, &end # # 111 THR QG2 120 LEU QD1 4.44 (#peak 959) &rst ixpk= 959, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1376,1377,1378, igr2=1514,1515,1516, &end # # 111 THR QG2 120 LEU QD2 4.44 (#peak 15) &rst ixpk= 15, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1376,1377,1378, igr2=1518,1519,1520, &end # # 112 PHE HA 113 GLN HN 3.33 (#peak 349) &rst ixpk= 349, nxpk= 0, iat=1386,1404, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 112 PHE HN 112 PHE HA 2.86 (#peak 3) &rst ixpk= 3, nxpk= 0, iat=1384,1386, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 112 PHE HN 112 PHE QB 3.28 (#peak 7) &rst ixpk= 7, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1388,1389, &end # # 112 PHE HN 114 ALA HN 4.26 (#peak 5) &rst ixpk= 5, nxpk= 0, iat=1384,1421, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 112 PHE QB 113 GLN HN 3.44 (#peak 690) &rst ixpk= 690, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=1388,1389, &end # # 113 GLN HA 115 HIS HN 5.50 (#peak 221) &rst ixpk= 221, nxpk= 0, iat=1406,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 113 GLN HA 116 GLN HN 5.50 (#peak 350) &rst ixpk= 350, nxpk= 0, iat=1406,1448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 113 GLN HN 113 GLN HE21 3.95 (#peak 687) &rst ixpk= 687, nxpk= 0, iat=1404,1416, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 113 GLN HN 113 GLN HE22 3.95 (#peak 360) &rst ixpk= 360, nxpk= 0, iat=1404,1417, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 113 GLN HN 113 GLN QB 3.28 (#peak 691) &rst ixpk= 691, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1408,1409, &end # # 113 GLN HN 113 GLN QE2 3.33 (#peak 687) &rst ixpk= 687, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1416,1417, &end # # 113 GLN HN 113 GLN QG 6.38 (#peak 688) &rst ixpk= 688, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2=1411,1412, &end # # 113 GLN HN 114 ALA HA 5.50 (#peak 1003) &rst ixpk= 1003, nxpk= 0, iat=1404,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 113 GLN QB 114 ALA HN 3.40 (#peak 483) &rst ixpk= 483, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1=1408,1409, &end # # 114 ALA HA 115 HIS HN 3.46 (#peak 998) &rst ixpk= 998, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 114 ALA HA 116 GLN HN 5.50 (#peak 996) &rst ixpk= 996, nxpk= 0, iat=1423,1448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 ALA HA 117 ASN HN 3.61 (#peak 699) &rst ixpk= 699, nxpk= 0, iat=1423,1465, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 114 ALA HA 119 LEU HN 4.54 (#peak 999) &rst ixpk= 999, nxpk= 0, iat=1423,1486, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 114 ALA HA 119 LEU QB 3.28 (#peak 1002) &rst ixpk= 1002, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1490,1491, &end # # 114 ALA HA 120 LEU HB2 5.50 (#peak 382) &rst ixpk= 382, nxpk= 0, iat=1423,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 ALA HA 120 LEU HB3 5.50 (#peak 1223) &rst ixpk= 1223, nxpk= 0, iat=1423,1510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 ALA HA 120 LEU HN 3.44 (#peak 997) &rst ixpk= 997, nxpk= 0, iat=1423,1505, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 114 ALA HN 114 ALA HA 2.72 (#peak 482) &rst ixpk= 482, nxpk= 0, iat=1421,1423, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 114 ALA HN 114 ALA QB 3.42 (#peak 480) &rst ixpk= 480, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1425,1426,1427, &end # # 114 ALA HN 115 HIS HN 2.81 (#peak 478) &rst ixpk= 478, nxpk= 0, iat=1421,1431, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end # # 114 ALA HN 117 ASN QD2 3.15 (#peak 481) &rst ixpk= 481, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr2=1474,1475, &end # # 114 ALA QB 115 HIS HN 3.42 (#peak 224) &rst ixpk= 224, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1425,1426,1427, &end # # 114 ALA QB 117 ASN HN 5.06 (#peak 693) &rst ixpk= 693, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=1425,1426,1427, &end # # 114 ALA QB 119 LEU HA 4.88 (#peak 491) &rst ixpk= 491, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1425,1426,1427, &end # # 114 ALA QB 119 LEU QB 4.30 (#peak 861) &rst ixpk= 861, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1425,1426,1427, igr2=1490,1491, &end # # 114 ALA QB 119 LEU QQD 4.41 (#peak 481) &rst ixpk= 481, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1425,1426,1427, &end # # 114 ALA QB 120 LEU HA 3.42 (#peak 871) &rst ixpk= 871, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1425,1426,1427, &end # # 114 ALA QB 120 LEU HB2 3.42 (#peak 484) &rst ixpk= 484, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1425,1426,1427, &end # # 114 ALA QB 120 LEU HB3 3.42 (#peak 1221) &rst ixpk= 1221, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1425,1426,1427, &end # # 114 ALA QB 120 LEU HG 4.66 (#peak 487) &rst ixpk= 487, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1425,1426,1427, &end # # 115 HIS HA 120 LEU HG 5.50 (#peak 864) &rst ixpk= 864, nxpk= 0, iat=1433,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 115 HIS HA 120 LEU QQD 3.44 (#peak 189) &rst ixpk= 189, nxpk= 0, iat=1433,1511, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 115 HIS HN 115 HIS HB2 2.40 (#peak 232) &rst ixpk= 232, nxpk= 0, iat=1431,1435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 115 HIS HN 115 HIS HB3 2.40 (#peak 227) &rst ixpk= 227, nxpk= 0, iat=1431,1436, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 115 HIS HN 116 GLN HN 2.61 (#peak 8) &rst ixpk= 8, nxpk= 0, iat=1431,1448, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end # # 115 HIS HN 116 GLN QB 4.55 (#peak 228) &rst ixpk= 228, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1452,1453, &end # # 115 HIS HN 116 GLN QE2 4.41 (#peak 196) &rst ixpk= 196, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1460,1461, &end # # 115 HIS HN 117 ASN QD2 4.15 (#peak 225) &rst ixpk= 225, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1474,1475, &end # # 115 HIS HN 120 LEU HB2 5.50 (#peak 223) &rst ixpk= 223, nxpk= 0, iat=1431,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 115 HIS HN 120 LEU HB3 5.50 (#peak 233) &rst ixpk= 233, nxpk= 0, iat=1431,1510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 115 HIS HN 120 LEU HG 5.50 (#peak 230) &rst ixpk= 230, nxpk= 0, iat=1431,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 115 HIS HN 120 LEU QQD 3.68 (#peak 219) &rst ixpk= 219, nxpk= 0, iat=1431,1511, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 115 HIS QB 116 GLN HN 2.39 (#peak 16) &rst ixpk= 16, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr1=1435,1436, &end # # 115 HIS QB 120 LEU QB 3.02 (#peak 380) &rst ixpk= 380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, igr1=1435,1436, igr2=1509,1510, &end # # 115 HIS QB 120 LEU QQD 3.90 (#peak 675) &rst ixpk= 675, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=1435,1436, &end # # 116 GLN HA 117 ASN HN 3.48 (#peak 700) &rst ixpk= 700, nxpk= 0, iat=1450,1465, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 116 GLN HN 116 GLN QB 3.28 (#peak 13) &rst ixpk= 13, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1452,1453, &end # # 116 GLN HN 116 GLN QG 2.39 (#peak 15) &rst ixpk= 15, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1455,1456, &end # # 116 GLN HN 118 GLY HN 4.51 (#peak 12) &rst ixpk= 12, nxpk= 0, iat=1448,1479, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 116 GLN QB 117 ASN HN 3.37 (#peak 697) &rst ixpk= 697, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1=1452,1453, &end # # 116 GLN QB 118 GLY HN 4.58 (#peak 490) &rst ixpk= 490, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1452,1453, &end # # 117 ASN HA 119 LEU HN 5.50 (#peak 498) &rst ixpk= 498, nxpk= 0, iat=1467,1486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 ASN HB2 119 LEU HN 3.61 (#peak 235) &rst ixpk= 235, nxpk= 0, iat=1469,1486, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 117 ASN HB3 119 LEU HN 3.61 (#peak 237) &rst ixpk= 237, nxpk= 0, iat=1470,1486, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 117 ASN HN 117 ASN HB2 4.04 (#peak 25) &rst ixpk= 25, nxpk= 0, iat=1465,1469, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 117 ASN HN 117 ASN HB3 4.04 (#peak 497) &rst ixpk= 497, nxpk= 0, iat=1465,1470, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 117 ASN HN 117 ASN QB 3.42 (#peak 497) &rst ixpk= 497, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=1469,1470, &end # # 117 ASN HN 118 GLY HN 2.40 (#peak 492) &rst ixpk= 492, nxpk= 0, iat=1465,1479, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 117 ASN HN 118 GLY QA 5.34 (#peak 698) &rst ixpk= 698, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1481,1482, &end # # 117 ASN QB 118 GLY HN 3.91 (#peak 486) &rst ixpk= 486, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1=1469,1470, &end # # 117 ASN QB 119 LEU HN 2.96 (#peak 235) &rst ixpk= 235, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr1=1469,1470, &end # # 118 GLY HN 119 LEU HA 5.50 (#peak 493) &rst ixpk= 493, nxpk= 0, iat=1479,1488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 118 GLY HN 119 LEU HN 2.40 (#peak 488) &rst ixpk= 488, nxpk= 0, iat=1479,1486, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 118 GLY HN 120 LEU HN 3.46 (#peak 21) &rst ixpk= 21, nxpk= 0, iat=1479,1505, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 118 GLY QA 119 LEU HN 2.75 (#peak 242) &rst ixpk= 242, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, igr1=1481,1482, &end # # 118 GLY QA 120 LEU HN 4.00 (#peak 18) &rst ixpk= 18, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1481,1482, &end # # 118 GLY QA 121 GLN HN 5.34 (#peak 702) &rst ixpk= 702, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1481,1482, &end # # 118 GLY QA 121 GLN QB 4.01 (#peak 854) &rst ixpk= 854, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1481,1482, igr2=1528,1529, &end # # 119 LEU HG 120 LEU HN 5.28 (#peak 713) &rst ixpk= 713, nxpk= 0, iat=1493,1505, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 119 LEU HN 119 LEU HG 4.94 (#peak 714) &rst ixpk= 714, nxpk= 0, iat=1486,1493, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 119 LEU HN 119 LEU QB 3.28 (#peak 243) &rst ixpk= 243, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1490,1491, &end # # 119 LEU HN 119 LEU QQD 3.41 (#peak 239) &rst ixpk= 239, nxpk= 0, iat=1486,1492, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 119 LEU HN 120 LEU HN 2.40 (#peak 234) &rst ixpk= 234, nxpk= 0, iat=1486,1505, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 119 LEU HN 121 GLN HN 5.50 (#peak 244) &rst ixpk= 244, nxpk= 0, iat=1486,1524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 119 LEU QQD 123 LEU QB 3.04 (#peak 388) &rst ixpk= 388, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=1567,1568, &end # # 119 LEU QQD 123 LEU QQD 4.38 (#peak 1049) &rst ixpk= 1049, nxpk= 0, iat=1492,1569, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 120 LEU HA 121 GLN HN 3.44 (#peak 872) &rst ixpk= 872, nxpk= 0, iat=1507,1524, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 120 LEU HB2 121 GLN HN 4.20 (#peak 707) &rst ixpk= 707, nxpk= 0, iat=1509,1524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 120 LEU HB3 121 GLN HN 4.20 (#peak 1222) &rst ixpk= 1222, nxpk= 0, iat=1510,1524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 120 LEU HG 121 GLN HN 5.50 (#peak 710) &rst ixpk= 710, nxpk= 0, iat=1512,1524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 120 LEU HG 124 LEU HG 3.58 (#peak 869) &rst ixpk= 869, nxpk= 0, iat=1512,1589, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 120 LEU HG 124 LEU QQD 3.41 (#peak 884) &rst ixpk= 884, nxpk= 0, iat=1512,1588, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 120 LEU HN 120 LEU HB2 2.40 (#peak 20) &rst ixpk= 20, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 120 LEU HN 120 LEU HB3 2.40 (#peak 28) &rst ixpk= 28, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 120 LEU HN 121 GLN HN 2.43 (#peak 25) &rst ixpk= 25, nxpk= 0, iat=1505,1524, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end # # 120 LEU HN 122 LYS+ QG 5.34 (#peak 726) &rst ixpk= 726, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1548,1549, &end # # 120 LEU QB 121 GLN HN 3.60 (#peak 1222) &rst ixpk= 1222, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1509,1510, &end # # 120 LEU QQD 121 GLN HN 4.02 (#peak 703) &rst ixpk= 703, nxpk= 0, iat=1511,1524, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 120 LEU QQD 124 LEU QQD 4.38 (#peak 881) &rst ixpk= 881, nxpk= 0, iat=1511,1588, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 121 GLN HA 123 LEU HN 5.50 (#peak 873) &rst ixpk= 873, nxpk= 0, iat=1526,1563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 121 GLN HA 124 LEU QQD 3.41 (#peak 875) &rst ixpk= 875, nxpk= 0, iat=1526,1588, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 121 GLN HN 121 GLN HG2 5.50 (#peak 713) &rst ixpk= 713, nxpk= 0, iat=1524,1531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 121 GLN HN 121 GLN HG3 5.50 (#peak 208) &rst ixpk= 208, nxpk= 0, iat=1524,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 121 GLN HN 122 LYS+ HN 2.52 (#peak 708) &rst ixpk= 708, nxpk= 0, iat=1524,1541, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end # # 121 GLN HN 122 LYS+ QG 5.34 (#peak 709) &rst ixpk= 709, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1548,1549, &end # # 121 GLN HN 123 LEU HN 4.23 (#peak 252) &rst ixpk= 252, nxpk= 0, iat=1524,1563, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 121 GLN QB 122 LYS+ HN 3.28 (#peak 496) &rst ixpk= 496, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1=1528,1529, &end # # 121 GLN QG 122 LYS+ HN 2.39 (#peak 502) &rst ixpk= 502, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr1=1531,1532, &end # # 122 LYS+ HN 122 LYS+ QG 2.39 (#peak 498) &rst ixpk= 498, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1548,1549, &end # # 122 LYS+ HN 123 LEU HN 2.40 (#peak 250) &rst ixpk= 250, nxpk= 0, iat=1541,1563, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 122 LYS+ QG 123 LEU HN 4.06 (#peak 209) &rst ixpk= 209, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=1548,1549, &end # # 123 LEU HN 123 LEU HA 2.62 (#peak 248) &rst ixpk= 248, nxpk= 0, iat=1563,1565, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end # # 123 LEU HN 123 LEU QB 2.39 (#peak 254) &rst ixpk= 254, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr2=1567,1568, &end # # 123 LEU HN 123 LEU QQD 3.62 (#peak 249) &rst ixpk= 249, nxpk= 0, iat=1563,1569, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 123 LEU HN 124 LEU HG 5.50 (#peak 253) &rst ixpk= 253, nxpk= 0, iat=1563,1589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 LEU QB 124 LEU HN 2.39 (#peak 38) &rst ixpk= 38, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, igr1=1567,1568, &end # # 123 LEU QD1 124 LEU HN 6.52 (#peak 1044) &rst ixpk= 1044, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1=1572,1573,1574, &end # # 123 LEU QD2 124 LEU HN 6.52 (#peak 33) &rst ixpk= 33, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1=1576,1577,1578, &end # # 124 LEU HG 125 GLN HN 5.44 (#peak 724) &rst ixpk= 724, nxpk= 0, iat=1589,1601, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 124 LEU HN 124 LEU QQD 3.41 (#peak 35) &rst ixpk= 35, nxpk= 0, iat=1582,1588, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 124 LEU HN 125 GLN HN 2.40 (#peak 36) &rst ixpk= 36, nxpk= 0, iat=1582,1601, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 124 LEU HN 125 GLN QG 4.86 (#peak 79) &rst ixpk= 79, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1608,1609, &end # # 124 LEU QB 125 GLN HN 3.34 (#peak 547) &rst ixpk= 547, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=1586,1587, &end # # 124 LEU QQD 125 GLN HN 3.41 (#peak 723) &rst ixpk= 723, nxpk= 0, iat=1588,1601, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 125 GLN HN 125 GLN QB 3.28 (#peak 722) &rst ixpk= 722, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1605,1606, &end # # 125 GLN HN 125 GLN QG 6.38 (#peak 718) &rst ixpk= 718, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2=1608,1609, &end # # 125 GLN HN 126 ASP- HN 5.50 (#peak 720) &rst ixpk= 720, nxpk= 0, iat=1601,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 125 GLN QB 126 ASP- HN 3.43 (#peak 258) &rst ixpk= 258, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1=1605,1606, &end # # 125 GLN QB 127 ASP- HN 5.88 (#peak 372) &rst ixpk= 372, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1=1605,1606, &end # # 125 GLN QG 126 ASP- HN 6.38 (#peak 256) &rst ixpk= 256, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1=1608,1609, &end # # 126 ASP- HN 126 ASP- QB 3.32 (#peak 259) &rst ixpk= 259, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2=1622,1623, &end # # 126 ASP- HN 127 ASP- HN 2.86 (#peak 257) &rst ixpk= 257, nxpk= 0, iat=1618,1630, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 126 ASP- QB 127 ASP- HN 3.70 (#peak 370) &rst ixpk= 370, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1=1622,1623, &end # # 42 ARG+ QB 66 VAL QQG 4.41 (#peak 615) &rst ixpk= 615, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 292, 293, &end # # 43 VAL QQG 44 MET HN 3.37 (#peak 344) &rst ixpk= 344, nxpk= 0, iat= 315, 328, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 46 PHE HN 46 PHE QB 2.45 (#peak 355) &rst ixpk= 355, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, igr2= 368, 369, &end # # 47 SER QB 48 LYS+ HN 2.95 (#peak 263) &rst ixpk= 263, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr1= 388, 389, &end # # 48 LYS+ QD 74 ASP- HN 5.34 (#peak 95) &rst ixpk= 95, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 405, 406, &end # # 50 TYR HE 74 ASP- QB 5.95 (#peak 55) &rst ixpk= 55, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 438, 443, igr2= 823, 824, &end # # 52 PRO QB 55 THR HB 5.05 (#peak 768) &rst ixpk= 768, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 467, 468, &end # # 60 LEU HN 60 LEU QB 2.26 (#peak 746) &rst ixpk= 746, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, igr2= 597, 598, &end # # 60 LEU QQD 61 PHE HD 5.07 (#peak 68) &rst ixpk= 68, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2= 620, 628, &end # # 64 LEU HN 64 LEU QQD 3.63 (#peak 651) &rst ixpk= 651, nxpk= 0, iat= 654, 660, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 79 GLY HN 79 GLY QA 2.25 (#peak 549) &rst ixpk= 549, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, igr2= 890, 891, &end # # 82 VAL QQG 83 GLN HN 3.22 (#peak 125) &rst ixpk= 125, nxpk= 0, iat= 919, 932, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 92 GLN QG 94 THR HN 2.28 (#peak 639) &rst ixpk= 639, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, igr1=1079,1080, &end # # 99 PHE QB 103 VAL QQG 5.25 (#peak 406) &rst ixpk= 406, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1=1192,1193, &end # # 100 VAL QQG 101 ASN HN 3.37 (#peak 520) &rst ixpk= 520, nxpk= 0, iat=1211,1224, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 106 GLY QA 107 GLY HN 2.19 (#peak 54) &rst ixpk= 54, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, igr1=1311,1312, &end # # 107 GLY QA 111 THR HN 2.27 (#peak 214) &rst ixpk= 214, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, igr1=1318,1319, &end # 1641 atoms read from pdb file Grx_new.pdb. # 26 ALA PSI: (26 ALA N)-(26 ALA CA)-(26 ALA C)-(27 ARG N) -57.0 0.0 &rst iat = 1, 5, 11, 13, r1 = -58.0, r2 = -57.0, r3 = 0.0, r4 = 1.0, rk2 = 2.0, rk3 = 2.0, &end # 27 ARG PHI: (26 ALA C)-(27 ARG N)-(27 ARG CA)-(27 ARG C) -87.0 0.0 &rst iat = 11, 13, 15, 35, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 27 ARG PSI: (27 ARG N)-(27 ARG CA)-(27 ARG C)-(28 GLU N) -62.0 0.0 &rst iat = 13, 15, 35, 37, r1 = -63.0, r2 = -62.0, r3 = 0.0, r4 = 1.0, &end # 28 GLU PHI: (27 ARG C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -88.0 0.0 &rst iat = 35, 37, 39, 50, r1 = -89.0, r2 = -88.0, r3 = 0.0, r4 = 1.0, &end # 28 GLU PSI: (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 GLU N) -59.0 0.0 &rst iat = 37, 39, 50, 52, r1 = -60.0, r2 = -59.0, r3 = 0.0, r4 = 1.0, &end # 29 GLU PHI: (28 GLU C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -89.0 0.0 &rst iat = 50, 52, 54, 65, r1 = -90.0, r2 = -89.0, r3 = 0.0, r4 = 1.0, &end # 29 GLU PSI: (29 GLU N)-(29 GLU CA)-(29 GLU C)-(30 LEU N) -57.0 0.0 &rst iat = 52, 54, 65, 67, r1 = -58.0, r2 = -57.0, r3 = 0.0, r4 = 1.0, &end # 30 LEU PHI: (29 GLU C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -85.0 0.0 &rst iat = 65, 67, 69, 84, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 30 LEU PSI: (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 ARG N) -58.0 0.0 &rst iat = 67, 69, 84, 86, r1 = -59.0, r2 = -58.0, r3 = 0.0, r4 = 1.0, &end # 31 ARG PHI: (30 LEU C)-(31 ARG N)-(31 ARG CA)-(31 ARG C) -81.0 0.0 &rst iat = 84, 86, 88, 108, r1 = -82.0, r2 = -81.0, r3 = 0.0, r4 = 1.0, &end # 31 ARG PSI: (31 ARG N)-(31 ARG CA)-(31 ARG C)-(32 ARG N) -60.0 0.0 &rst iat = 86, 88, 108, 110, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 32 ARG PHI: (31 ARG C)-(32 ARG N)-(32 ARG CA)-(32 ARG C) -81.0 0.0 &rst iat = 108, 110, 112, 132, r1 = -82.0, r2 = -81.0, r3 = 0.0, r4 = 1.0, &end # 32 ARG PSI: (32 ARG N)-(32 ARG CA)-(32 ARG C)-(33 ARG N) -63.0 0.0 &rst iat = 110, 112, 132, 134, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 33 ARG PHI: (32 ARG C)-(33 ARG N)-(33 ARG CA)-(33 ARG C) -86.0 0.0 &rst iat = 132, 134, 136, 156, r1 = -87.0, r2 = -86.0, r3 = 0.0, r4 = 1.0, &end # 33 ARG PSI: (33 ARG N)-(33 ARG CA)-(33 ARG C)-(34 LEU N) -60.0 0.0 &rst iat = 134, 136, 156, 158, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 34 LEU PHI: (33 ARG C)-(34 LEU N)-(34 LEU CA)-(34 LEU C) -84.0 0.0 &rst iat = 156, 158, 160, 175, r1 = -85.0, r2 = -84.0, r3 = 0.0, r4 = 1.0, &end # 34 LEU PSI: (34 LEU N)-(34 LEU CA)-(34 LEU C)-(35 ARG N) -60.0 0.0 &rst iat = 158, 160, 175, 177, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 35 ARG PHI: (34 LEU C)-(35 ARG N)-(35 ARG CA)-(35 ARG C) -85.0 0.0 &rst iat = 175, 177, 179, 199, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 35 ARG PSI: (35 ARG N)-(35 ARG CA)-(35 ARG C)-(36 ASP N) -59.0 0.0 &rst iat = 177, 179, 199, 201, r1 = -60.0, r2 = -59.0, r3 = 0.0, r4 = 1.0, &end # 36 ASP PHI: (35 ARG C)-(36 ASP N)-(36 ASP CA)-(36 ASP C) -84.0 0.0 &rst iat = 199, 201, 203, 211, r1 = -85.0, r2 = -84.0, r3 = 0.0, r4 = 1.0, &end # 36 ASP PSI: (36 ASP N)-(36 ASP CA)-(36 ASP C)-(37 LEU N) -60.0 0.0 &rst iat = 201, 203, 211, 213, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 37 LEU PHI: (36 ASP C)-(37 LEU N)-(37 LEU CA)-(37 LEU C) -86.0 0.0 &rst iat = 211, 213, 215, 230, r1 = -87.0, r2 = -86.0, r3 = 0.0, r4 = 1.0, &end # 37 LEU PSI: (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 ILE N) -62.0 0.0 &rst iat = 213, 215, 230, 232, r1 = -63.0, r2 = -62.0, r3 = 0.0, r4 = 1.0, &end # 38 ILE PHI: (37 LEU C)-(38 ILE N)-(38 ILE CA)-(38 ILE C) -85.0 0.0 &rst iat = 230, 232, 234, 249, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 38 ILE PSI: (38 ILE N)-(38 ILE CA)-(38 ILE C)-(39 GLU N) -64.0 0.0 &rst iat = 232, 234, 249, 251, r1 = -65.0, r2 = -64.0, r3 = 0.0, r4 = 1.0, &end # 39 GLU PHI: (38 ILE C)-(39 GLU N)-(39 GLU CA)-(39 GLU C) -99.0 0.0 &rst iat = 249, 251, 253, 264, r1 = -100.0, r2 = -99.0, r3 = 0.0, r4 = 1.0, &end # 39 GLU PSI: (39 GLU N)-(39 GLU CA)-(39 GLU C)-(40 GLY N) -57.0 0.0 &rst iat = 251, 253, 264, 266, r1 = -58.0, r2 = -57.0, r3 = 0.0, r4 = 1.0, &end # 41 ASN PHI: (40 GLY C)-(41 ASN N)-(41 ASN CA)-(41 ASN C) -157.0 0.0 &rst iat = 271, 273, 275, 285, r1 = -158.0, r2 = -157.0, r3 = 0.0, r4 = 1.0, &end # 41 ASN PSI: (41 ASN N)-(41 ASN CA)-(41 ASN C)-(42 ARG N) -306.0 0.0 &rst iat = 273, 275, 285, 287, r1 = -307.0, r2 = -306.0, r3 = 0.0, r4 = 1.0, &end # 42 ARG PHI: (41 ASN C)-(42 ARG N)-(42 ARG CA)-(42 ARG C) -87.0 0.0 &rst iat = 285, 287, 289, 309, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 42 ARG PSI: (42 ARG N)-(42 ARG CA)-(42 ARG C)-(43 VAL N) -56.0 0.0 &rst iat = 287, 289, 309, 311, r1 = -57.0, r2 = -56.0, r3 = 0.0, r4 = 1.0, &end # 43 VAL PHI: (42 ARG C)-(43 VAL N)-(43 VAL CA)-(43 VAL C) -191.0 0.0 &rst iat = 309, 311, 313, 325, r1 = -192.0, r2 = -191.0, r3 = 0.0, r4 = 1.0, &end # 43 VAL PSI: (43 VAL N)-(43 VAL CA)-(43 VAL C)-(44 MET N) -251.0 0.0 &rst iat = 311, 313, 325, 327, r1 = -252.0, r2 = -251.0, r3 = 0.0, r4 = 1.0, &end # 44 MET PHI: (43 VAL C)-(44 MET N)-(44 MET CA)-(44 MET C) -130.0 0.0 &rst iat = 325, 327, 329, 342, r1 = -131.0, r2 = -130.0, r3 = 0.0, r4 = 1.0, &end # 44 MET PSI: (44 MET N)-(44 MET CA)-(44 MET C)-(45 ILE N) -255.0 0.0 &rst iat = 327, 329, 342, 344, r1 = -256.0, r2 = -255.0, r3 = 0.0, r4 = 1.0, &end # 45 ILE PHI: (44 MET C)-(45 ILE N)-(45 ILE CA)-(45 ILE C) -144.0 0.0 &rst iat = 342, 344, 346, 361, r1 = -145.0, r2 = -144.0, r3 = 0.0, r4 = 1.0, &end # 45 ILE PSI: (45 ILE N)-(45 ILE CA)-(45 ILE C)-(46 PHE N) -248.0 0.0 &rst iat = 344, 346, 361, 363, r1 = -249.0, r2 = -248.0, r3 = 0.0, r4 = 1.0, &end # 46 PHE PHI: (45 ILE C)-(46 PHE N)-(46 PHE CA)-(46 PHE C) -128.0 0.0 &rst iat = 361, 363, 365, 381, r1 = -129.0, r2 = -128.0, r3 = 0.0, r4 = 1.0, &end # 46 PHE PSI: (46 PHE N)-(46 PHE CA)-(46 PHE C)-(47 SER N) -254.0 0.0 &rst iat = 363, 365, 381, 383, r1 = -255.0, r2 = -254.0, r3 = 0.0, r4 = 1.0, &end # 47 SER PHI: (46 PHE C)-(47 SER N)-(47 SER CA)-(47 SER C) -175.0 0.0 &rst iat = 381, 383, 385, 392, r1 = -176.0, r2 = -175.0, r3 = 0.0, r4 = 1.0, &end # 47 SER PSI: (47 SER N)-(47 SER CA)-(47 SER C)-(48 LYS N) -255.0 0.0 &rst iat = 383, 385, 392, 394, r1 = -256.0, r2 = -255.0, r3 = 0.0, r4 = 1.0, &end # 49 SER PHI: (48 LYS C)-(49 SER N)-(49 SER CA)-(49 SER C) -87.0 0.0 &rst iat = 414, 416, 418, 425, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 49 SER PSI: (49 SER N)-(49 SER CA)-(49 SER C)-(50 TYR N) -49.0 0.0 &rst iat = 416, 418, 425, 427, r1 = -50.0, r2 = -49.0, r3 = 0.0, r4 = 1.0, &end # 50 TYR PHI: (49 SER C)-(50 TYR N)-(50 TYR CA)-(50 TYR C) -125.0 0.0 &rst iat = 425, 427, 429, 446, r1 = -126.0, r2 = -125.0, r3 = 0.0, r4 = 1.0, &end # 50 TYR PSI: (50 TYR N)-(50 TYR CA)-(50 TYR C)-(51 CYS N) -294.0 0.0 &rst iat = 427, 429, 446, 448, r1 = -295.0, r2 = -294.0, r3 = 0.0, r4 = 1.0, &end # 51 CYS PHI: (50 TYR C)-(51 CYS N)-(51 CYS CA)-(51 CYS C) -145.0 0.0 &rst iat = 446, 448, 450, 457, r1 = -146.0, r2 = -145.0, r3 = 0.0, r4 = 1.0, &end # 51 CYS PSI: (51 CYS N)-(51 CYS CA)-(51 CYS C)-(52 PRO N) -260.0 0.0 &rst iat = 448, 450, 457, 459, r1 = -261.0, r2 = -260.0, r3 = 0.0, r4 = 1.0, &end # 52 PRO PHI: (51 CYS C)-(52 PRO N)-(52 PRO CA)-(52 PRO C) -80.0 0.0 &rst iat = 457, 459, 469, 471, r1 = -81.0, r2 = -80.0, r3 = 0.0, r4 = 1.0, &end # 52 PRO PSI: (52 PRO N)-(52 PRO CA)-(52 PRO C)-(53 HID N) -238.0 0.0 &rst iat = 459, 469, 471, 473, r1 = -239.0, r2 = -238.0, r3 = 0.0, r4 = 1.0, &end # 54 SER PHI: (53 HID C)-(54 SER N)-(54 SER CA)-(54 SER C) -80.0 0.0 &rst iat = 488, 490, 492, 499, r1 = -81.0, r2 = -80.0, r3 = 0.0, r4 = 1.0, &end # 54 SER PSI: (54 SER N)-(54 SER CA)-(54 SER C)-(55 THR N) -64.0 0.0 &rst iat = 490, 492, 499, 501, r1 = -65.0, r2 = -64.0, r3 = 0.0, r4 = 1.0, &end # 55 THR PHI: (54 SER C)-(55 THR N)-(55 THR CA)-(55 THR C) -83.0 0.0 &rst iat = 499, 501, 503, 513, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 55 THR PSI: (55 THR N)-(55 THR CA)-(55 THR C)-(56 ARG N) -63.0 0.0 &rst iat = 501, 503, 513, 515, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 56 ARG PHI: (55 THR C)-(56 ARG N)-(56 ARG CA)-(56 ARG C) -80.0 0.0 &rst iat = 513, 515, 517, 537, r1 = -81.0, r2 = -80.0, r3 = 0.0, r4 = 1.0, &end # 56 ARG PSI: (56 ARG N)-(56 ARG CA)-(56 ARG C)-(57 VAL N) -62.0 0.0 &rst iat = 515, 517, 537, 539, r1 = -63.0, r2 = -62.0, r3 = 0.0, r4 = 1.0, &end # 57 VAL PHI: (56 ARG C)-(57 VAL N)-(57 VAL CA)-(57 VAL C) -83.0 0.0 &rst iat = 537, 539, 541, 553, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 57 VAL PSI: (57 VAL N)-(57 VAL CA)-(57 VAL C)-(58 LYS N) -60.0 0.0 &rst iat = 539, 541, 553, 555, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 58 LYS PHI: (57 VAL C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -81.0 0.0 &rst iat = 553, 555, 557, 575, r1 = -82.0, r2 = -81.0, r3 = 0.0, r4 = 1.0, &end # 58 LYS PSI: (58 LYS N)-(58 LYS CA)-(58 LYS C)-(59 GLU N) -65.0 0.0 &rst iat = 555, 557, 575, 577, r1 = -66.0, r2 = -65.0, r3 = 0.0, r4 = 1.0, &end # 59 GLU PHI: (58 LYS C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -81.0 0.0 &rst iat = 575, 577, 579, 590, r1 = -82.0, r2 = -81.0, r3 = 0.0, r4 = 1.0, &end # 59 GLU PSI: (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 LEU N) -60.0 0.0 &rst iat = 577, 579, 590, 592, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 60 LEU PHI: (59 GLU C)-(60 LEU N)-(60 LEU CA)-(60 LEU C) -84.0 0.0 &rst iat = 590, 592, 594, 609, r1 = -85.0, r2 = -84.0, r3 = 0.0, r4 = 1.0, &end # 60 LEU PSI: (60 LEU N)-(60 LEU CA)-(60 LEU C)-(61 PHE N) -63.0 0.0 &rst iat = 592, 594, 609, 611, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 61 PHE PHI: (60 LEU C)-(61 PHE N)-(61 PHE CA)-(61 PHE C) -80.0 0.0 &rst iat = 609, 611, 613, 629, r1 = -81.0, r2 = -80.0, r3 = 0.0, r4 = 1.0, &end # 61 PHE PSI: (61 PHE N)-(61 PHE CA)-(61 PHE C)-(62 SER N) -62.0 0.0 &rst iat = 611, 613, 629, 631, r1 = -63.0, r2 = -62.0, r3 = 0.0, r4 = 1.0, &end # 62 SER PHI: (61 PHE C)-(62 SER N)-(62 SER CA)-(62 SER C) -83.0 0.0 &rst iat = 629, 631, 633, 640, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 62 SER PSI: (62 SER N)-(62 SER CA)-(62 SER C)-(63 SER N) -56.0 0.0 &rst iat = 631, 633, 640, 642, r1 = -57.0, r2 = -56.0, r3 = 0.0, r4 = 1.0, &end # 63 SER PHI: (62 SER C)-(63 SER N)-(63 SER CA)-(63 SER C) -85.0 0.0 &rst iat = 640, 642, 644, 651, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 63 SER PSI: (63 SER N)-(63 SER CA)-(63 SER C)-(64 LEU N) -44.0 0.0 &rst iat = 642, 644, 651, 653, r1 = -45.0, r2 = -44.0, r3 = 0.0, r4 = 1.0, &end # 64 LEU PHI: (63 SER C)-(64 LEU N)-(64 LEU CA)-(64 LEU C) -117.0 0.0 &rst iat = 651, 653, 655, 670, r1 = -118.0, r2 = -117.0, r3 = 0.0, r4 = 1.0, &end # 64 LEU PSI: (64 LEU N)-(64 LEU CA)-(64 LEU C)-(65 GLY N) -31.0 0.0 &rst iat = 653, 655, 670, 672, r1 = -32.0, r2 = -31.0, r3 = 0.0, r4 = 1.0, &end # 65 GLY PHI: (64 LEU C)-(65 GLY N)-(65 GLY CA)-(65 GLY C) -295.0 0.0 &rst iat = 670, 672, 674, 677, r1 = -296.0, r2 = -295.0, r3 = 0.0, r4 = 1.0, &end # 65 GLY PSI: (65 GLY N)-(65 GLY CA)-(65 GLY C)-(66 VAL N) -13.0 0.0 &rst iat = 672, 674, 677, 679, r1 = -14.0, r2 = -13.0, r3 = 0.0, r4 = 1.0, &end # 67 VAL PHI: (66 VAL C)-(67 VAL N)-(67 VAL CA)-(67 VAL C) -112.0 0.0 &rst iat = 693, 695, 697, 709, r1 = -113.0, r2 = -112.0, r3 = 0.0, r4 = 1.0, &end # 67 VAL PSI: (67 VAL N)-(67 VAL CA)-(67 VAL C)-(68 TYR N) -247.0 0.0 &rst iat = 695, 697, 709, 711, r1 = -248.0, r2 = -247.0, r3 = 0.0, r4 = 1.0, &end # 68 TYR PHI: (67 VAL C)-(68 TYR N)-(68 TYR CA)-(68 TYR C) -148.0 0.0 &rst iat = 709, 711, 713, 730, r1 = -149.0, r2 = -148.0, r3 = 0.0, r4 = 1.0, &end # 68 TYR PSI: (68 TYR N)-(68 TYR CA)-(68 TYR C)-(69 ASN N) -248.0 0.0 &rst iat = 711, 713, 730, 732, r1 = -249.0, r2 = -248.0, r3 = 0.0, r4 = 1.0, &end # 69 ASN PHI: (68 TYR C)-(69 ASN N)-(69 ASN CA)-(69 ASN C) -157.0 0.0 &rst iat = 730, 732, 734, 744, r1 = -158.0, r2 = -157.0, r3 = 0.0, r4 = 1.0, &end # 69 ASN PSI: (69 ASN N)-(69 ASN CA)-(69 ASN C)-(70 ILE N) -257.0 0.0 &rst iat = 732, 734, 744, 746, r1 = -258.0, r2 = -257.0, r3 = 0.0, r4 = 1.0, &end # 70 ILE PHI: (69 ASN C)-(70 ILE N)-(70 ILE CA)-(70 ILE C) -148.0 0.0 &rst iat = 744, 746, 748, 763, r1 = -149.0, r2 = -148.0, r3 = 0.0, r4 = 1.0, &end # 70 ILE PSI: (70 ILE N)-(70 ILE CA)-(70 ILE C)-(71 LEU N) -239.0 0.0 &rst iat = 746, 748, 763, 765, r1 = -240.0, r2 = -239.0, r3 = 0.0, r4 = 1.0, &end # 71 LEU PHI: (70 ILE C)-(71 LEU N)-(71 LEU CA)-(71 LEU C) -125.0 0.0 &rst iat = 763, 765, 767, 782, r1 = -126.0, r2 = -125.0, r3 = 0.0, r4 = 1.0, &end # 71 LEU PSI: (71 LEU N)-(71 LEU CA)-(71 LEU C)-(72 GLU N) -255.0 0.0 &rst iat = 765, 767, 782, 784, r1 = -256.0, r2 = -255.0, r3 = 0.0, r4 = 1.0, &end # 72 GLU PHI: (71 LEU C)-(72 GLU N)-(72 GLU CA)-(72 GLU C) -112.0 0.0 &rst iat = 782, 784, 786, 797, r1 = -113.0, r2 = -112.0, r3 = 0.0, r4 = 1.0, &end # 72 GLU PSI: (72 GLU N)-(72 GLU CA)-(72 GLU C)-(73 LEU N) -289.0 0.0 &rst iat = 784, 786, 797, 799, r1 = -290.0, r2 = -289.0, r3 = 0.0, r4 = 1.0, &end # 73 LEU PHI: (72 GLU C)-(73 LEU N)-(73 LEU CA)-(73 LEU C) -81.0 0.0 &rst iat = 797, 799, 801, 816, r1 = -82.0, r2 = -81.0, r3 = 0.0, r4 = 1.0, &end # 73 LEU PSI: (73 LEU N)-(73 LEU CA)-(73 LEU C)-(74 ASP N) -66.0 0.0 &rst iat = 799, 801, 816, 818, r1 = -67.0, r2 = -66.0, r3 = 0.0, r4 = 1.0, &end # 74 ASP PHI: (73 LEU C)-(74 ASP N)-(74 ASP CA)-(74 ASP C) -90.0 0.0 &rst iat = 816, 818, 820, 828, r1 = -91.0, r2 = -90.0, r3 = 0.0, r4 = 1.0, &end # 74 ASP PSI: (74 ASP N)-(74 ASP CA)-(74 ASP C)-(75 GLN N) -32.0 0.0 &rst iat = 818, 820, 828, 830, r1 = -33.0, r2 = -32.0, r3 = 0.0, r4 = 1.0, &end # 75 GLN PHI: (74 ASP C)-(75 GLN N)-(75 GLN CA)-(75 GLN C) -120.0 0.0 &rst iat = 828, 830, 832, 845, r1 = -121.0, r2 = -120.0, r3 = 0.0, r4 = 1.0, &end # 75 GLN PSI: (75 GLN N)-(75 GLN CA)-(75 GLN C)-(76 VAL N) -45.0 0.0 &rst iat = 830, 832, 845, 847, r1 = -46.0, r2 = -45.0, r3 = 0.0, r4 = 1.0, &end # 76 VAL PHI: (75 GLN C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -187.0 0.0 &rst iat = 845, 847, 849, 861, r1 = -188.0, r2 = -187.0, r3 = 0.0, r4 = 1.0, &end # 76 VAL PSI: (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ASP N) -244.0 0.0 &rst iat = 847, 849, 861, 863, r1 = -245.0, r2 = -244.0, r3 = 0.0, r4 = 1.0, &end # 78 ASP PHI: (77 ASP C)-(78 ASP N)-(78 ASP CA)-(78 ASP C) -106.0 0.0 &rst iat = 873, 875, 877, 885, r1 = -107.0, r2 = -106.0, r3 = 0.0, r4 = 1.0, &end # 78 ASP PSI: (78 ASP N)-(78 ASP CA)-(78 ASP C)-(79 GLY N) -74.0 0.0 &rst iat = 875, 877, 885, 887, r1 = -75.0, r2 = -74.0, r3 = 0.0, r4 = 1.0, &end # 79 GLY PHI: (78 ASP C)-(79 GLY N)-(79 GLY CA)-(79 GLY C) -83.0 0.0 &rst iat = 885, 887, 889, 892, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 79 GLY PSI: (79 GLY N)-(79 GLY CA)-(79 GLY C)-(80 ALA N) -58.0 0.0 &rst iat = 887, 889, 892, 894, r1 = -59.0, r2 = -58.0, r3 = 0.0, r4 = 1.0, &end # 80 ALA PHI: (79 GLY C)-(80 ALA N)-(80 ALA CA)-(80 ALA C) -87.0 0.0 &rst iat = 892, 894, 896, 902, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 80 ALA PSI: (80 ALA N)-(80 ALA CA)-(80 ALA C)-(81 SER N) -57.0 0.0 &rst iat = 894, 896, 902, 904, r1 = -58.0, r2 = -57.0, r3 = 0.0, r4 = 1.0, &end # 81 SER PHI: (80 ALA C)-(81 SER N)-(81 SER CA)-(81 SER C) -85.0 0.0 &rst iat = 902, 904, 906, 913, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 81 SER PSI: (81 SER N)-(81 SER CA)-(81 SER C)-(82 VAL N) -61.0 0.0 &rst iat = 904, 906, 913, 915, r1 = -62.0, r2 = -61.0, r3 = 0.0, r4 = 1.0, &end # 82 VAL PHI: (81 SER C)-(82 VAL N)-(82 VAL CA)-(82 VAL C) -85.0 0.0 &rst iat = 913, 915, 917, 929, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 82 VAL PSI: (82 VAL N)-(82 VAL CA)-(82 VAL C)-(83 GLN N) -63.0 0.0 &rst iat = 915, 917, 929, 931, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 83 GLN PHI: (82 VAL C)-(83 GLN N)-(83 GLN CA)-(83 GLN C) -83.0 0.0 &rst iat = 929, 931, 933, 946, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 83 GLN PSI: (83 GLN N)-(83 GLN CA)-(83 GLN C)-(84 GLU N) -59.0 0.0 &rst iat = 931, 933, 946, 948, r1 = -60.0, r2 = -59.0, r3 = 0.0, r4 = 1.0, &end # 84 GLU PHI: (83 GLN C)-(84 GLU N)-(84 GLU CA)-(84 GLU C) -85.0 0.0 &rst iat = 946, 948, 950, 961, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 84 GLU PSI: (84 GLU N)-(84 GLU CA)-(84 GLU C)-(85 VAL N) -61.0 0.0 &rst iat = 948, 950, 961, 963, r1 = -62.0, r2 = -61.0, r3 = 0.0, r4 = 1.0, &end # 85 VAL PHI: (84 GLU C)-(85 VAL N)-(85 VAL CA)-(85 VAL C) -85.0 0.0 &rst iat = 961, 963, 965, 977, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 85 VAL PSI: (85 VAL N)-(85 VAL CA)-(85 VAL C)-(86 LEU N) -63.0 0.0 &rst iat = 963, 965, 977, 979, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 86 LEU PHI: (85 VAL C)-(86 LEU N)-(86 LEU CA)-(86 LEU C) -83.0 0.0 &rst iat = 977, 979, 981, 996, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 86 LEU PSI: (86 LEU N)-(86 LEU CA)-(86 LEU C)-(87 THR N) -56.0 0.0 &rst iat = 979, 981, 996, 998, r1 = -57.0, r2 = -56.0, r3 = 0.0, r4 = 1.0, &end # 87 THR PHI: (86 LEU C)-(87 THR N)-(87 THR CA)-(87 THR C) -85.0 0.0 &rst iat = 996, 998, 1000, 1010, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 87 THR PSI: (87 THR N)-(87 THR CA)-(87 THR C)-(88 GLU N) -60.0 0.0 &rst iat = 998, 1000, 1010, 1012, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 88 GLU PHI: (87 THR C)-(88 GLU N)-(88 GLU CA)-(88 GLU C) -85.0 0.0 &rst iat = 1010, 1012, 1014, 1025, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 88 GLU PSI: (88 GLU N)-(88 GLU CA)-(88 GLU C)-(89 ILE N) -62.0 0.0 &rst iat = 1012, 1014, 1025, 1027, r1 = -63.0, r2 = -62.0, r3 = 0.0, r4 = 1.0, &end # 89 ILE PHI: (88 GLU C)-(89 ILE N)-(89 ILE CA)-(89 ILE C) -110.0 0.0 &rst iat = 1025, 1027, 1029, 1044, r1 = -111.0, r2 = -110.0, r3 = 0.0, r4 = 1.0, &end # 89 ILE PSI: (89 ILE N)-(89 ILE CA)-(89 ILE C)-(90 SER N) -48.0 0.0 &rst iat = 1027, 1029, 1044, 1046, r1 = -49.0, r2 = -48.0, r3 = 0.0, r4 = 1.0, &end # 90 SER PHI: (89 ILE C)-(90 SER N)-(90 SER CA)-(90 SER C) -130.0 0.0 &rst iat = 1044, 1046, 1048, 1055, r1 = -131.0, r2 = -130.0, r3 = 0.0, r4 = 1.0, &end # 90 SER PSI: (90 SER N)-(90 SER CA)-(90 SER C)-(91 ASN N) -34.0 0.0 &rst iat = 1046, 1048, 1055, 1057, r1 = -35.0, r2 = -34.0, r3 = 0.0, r4 = 1.0, &end # 91 ASN PHI: (90 SER C)-(91 ASN N)-(91 ASN CA)-(91 ASN C) -312.0 0.0 &rst iat = 1055, 1057, 1059, 1069, r1 = -313.0, r2 = -312.0, r3 = 0.0, r4 = 1.0, &end # 91 ASN PSI: (91 ASN N)-(91 ASN CA)-(91 ASN C)-(92 GLN N) -14.0 0.0 &rst iat = 1057, 1059, 1069, 1071, r1 = -15.0, r2 = -14.0, r3 = 0.0, r4 = 1.0, &end # 94 THR PHI: (93 LYS C)-(94 THR N)-(94 THR CA)-(94 THR C) -197.0 0.0 &rst iat = 1108, 1110, 1112, 1122, r1 = -198.0, r2 = -197.0, r3 = 0.0, r4 = 1.0, &end # 94 THR PSI: (94 THR N)-(94 THR CA)-(94 THR C)-(95 VAL N) -225.0 0.0 &rst iat = 1110, 1112, 1122, 1124, r1 = -226.0, r2 = -225.0, r3 = 0.0, r4 = 1.0, &end # 95 VAL PHI: (94 THR C)-(95 VAL N)-(95 VAL CA)-(95 VAL C) -161.0 0.0 &rst iat = 1122, 1124, 1126, 1138, r1 = -162.0, r2 = -161.0, r3 = 0.0, r4 = 1.0, &end # 95 VAL PSI: (95 VAL N)-(95 VAL CA)-(95 VAL C)-(96 PRO N) -287.0 0.0 &rst iat = 1124, 1126, 1138, 1140, r1 = -288.0, r2 = -287.0, r3 = 0.0, r4 = 1.0, &end # 96 PRO PHI: (95 VAL C)-(96 PRO N)-(96 PRO CA)-(96 PRO C) -87.0 0.0 &rst iat = 1138, 1140, 1150, 1152, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 96 PRO PSI: (96 PRO N)-(96 PRO CA)-(96 PRO C)-(97 ASN N) -235.0 0.0 &rst iat = 1140, 1150, 1152, 1154, r1 = -236.0, r2 = -235.0, r3 = 0.0, r4 = 1.0, &end # 97 ASN PHI: (96 PRO C)-(97 ASN N)-(97 ASN CA)-(97 ASN C) -143.0 0.0 &rst iat = 1152, 1154, 1156, 1166, r1 = -144.0, r2 = -143.0, r3 = 0.0, r4 = 1.0, &end # 97 ASN PSI: (97 ASN N)-(97 ASN CA)-(97 ASN C)-(98 ILE N) -250.0 0.0 &rst iat = 1154, 1156, 1166, 1168, r1 = -251.0, r2 = -250.0, r3 = 0.0, r4 = 1.0, &end # 98 ILE PHI: (97 ASN C)-(98 ILE N)-(98 ILE CA)-(98 ILE C) -132.0 0.0 &rst iat = 1166, 1168, 1170, 1185, r1 = -133.0, r2 = -132.0, r3 = 0.0, r4 = 1.0, &end # 98 ILE PSI: (98 ILE N)-(98 ILE CA)-(98 ILE C)-(99 PHE N) -253.0 0.0 &rst iat = 1168, 1170, 1185, 1187, r1 = -254.0, r2 = -253.0, r3 = 0.0, r4 = 1.0, &end # 99 PHE PHI: (98 ILE C)-(99 PHE N)-(99 PHE CA)-(99 PHE C) -151.0 0.0 &rst iat = 1185, 1187, 1189, 1205, r1 = -152.0, r2 = -151.0, r3 = 0.0, r4 = 1.0, &end # 99 PHE PSI: (99 PHE N)-(99 PHE CA)-(99 PHE C)-(100 VAL N) -246.0 0.0 &rst iat = 1187, 1189, 1205, 1207, r1 = -247.0, r2 = -246.0, r3 = 0.0, r4 = 1.0, &end # 100 VAL PHI: (99 PHE C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -163.0 0.0 &rst iat = 1205, 1207, 1209, 1221, r1 = -164.0, r2 = -163.0, r3 = 0.0, r4 = 1.0, &end # 100 VAL PSI: (100 VAL N)-(100 VAL CA)-(100 VAL C)-(101 ASN N) -259.0 0.0 &rst iat = 1207, 1209, 1221, 1223, r1 = -260.0, r2 = -259.0, r3 = 0.0, r4 = 1.0, &end # 101 ASN PHI: (100 VAL C)-(101 ASN N)-(101 ASN CA)-(101 ASN C) -328.0 0.0 &rst iat = 1221, 1223, 1225, 1235, r1 = -329.0, r2 = -328.0, r3 = 0.0, r4 = 1.0, &end # 101 ASN PSI: (101 ASN N)-(101 ASN CA)-(101 ASN C)-(102 LYS N) -335.0 0.0 &rst iat = 1223, 1225, 1235, 1237, r1 = -336.0, r2 = -335.0, r3 = 0.0, r4 = 1.0, &end # 102 LYS PHI: (101 ASN C)-(102 LYS N)-(102 LYS CA)-(102 LYS C) -313.0 0.0 &rst iat = 1235, 1237, 1239, 1257, r1 = -314.0, r2 = -313.0, r3 = 0.0, r4 = 1.0, &end # 102 LYS PSI: (102 LYS N)-(102 LYS CA)-(102 LYS C)-(103 VAL N) -19.0 0.0 &rst iat = 1237, 1239, 1257, 1259, r1 = -20.0, r2 = -19.0, r3 = 0.0, r4 = 1.0, &end # 103 VAL PHI: (102 LYS C)-(103 VAL N)-(103 VAL CA)-(103 VAL C) -143.0 0.0 &rst iat = 1257, 1259, 1261, 1273, r1 = -144.0, r2 = -143.0, r3 = 0.0, r4 = 1.0, &end # 103 VAL PSI: (103 VAL N)-(103 VAL CA)-(103 VAL C)-(104 HID N) -243.0 0.0 &rst iat = 1259, 1261, 1273, 1275, r1 = -244.0, r2 = -243.0, r3 = 0.0, r4 = 1.0, &end # 104 HIS PHI: (103 VAL C)-(104 HID N)-(104 HID CA)-(104 HID C) -96.0 0.0 &rst iat = 1273, 1275, 1277, 1290, r1 = -97.0, r2 = -96.0, r3 = 0.0, r4 = 1.0, &end # 104 HIS PSI: (104 HID N)-(104 HID CA)-(104 HID C)-(105 VAL N) -257.0 0.0 &rst iat = 1275, 1277, 1290, 1292, r1 = -258.0, r2 = -257.0, r3 = 0.0, r4 = 1.0, &end # 105 VAL PHI: (104 HID C)-(105 VAL N)-(105 VAL CA)-(105 VAL C) -107.0 0.0 &rst iat = 1290, 1292, 1294, 1306, r1 = -108.0, r2 = -107.0, r3 = 0.0, r4 = 1.0, &end # 105 VAL PSI: (105 VAL N)-(105 VAL CA)-(105 VAL C)-(106 GLY N) -64.0 0.0 &rst iat = 1292, 1294, 1306, 1308, r1 = -65.0, r2 = -64.0, r3 = 0.0, r4 = 1.0, &end # 110 ARG PHI: (109 ASP C)-(110 ARG N)-(110 ARG CA)-(110 ARG C) -83.0 0.0 &rst iat = 1343, 1345, 1347, 1367, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 110 ARG PSI: (110 ARG N)-(110 ARG CA)-(110 ARG C)-(111 THR N) -57.0 0.0 &rst iat = 1345, 1347, 1367, 1369, r1 = -58.0, r2 = -57.0, r3 = 0.0, r4 = 1.0, &end # 111 THR PHI: (110 ARG C)-(111 THR N)-(111 THR CA)-(111 THR C) -88.0 0.0 &rst iat = 1367, 1369, 1371, 1381, r1 = -89.0, r2 = -88.0, r3 = 0.0, r4 = 1.0, &end # 111 THR PSI: (111 THR N)-(111 THR CA)-(111 THR C)-(112 PHE N) -59.0 0.0 &rst iat = 1369, 1371, 1381, 1383, r1 = -60.0, r2 = -59.0, r3 = 0.0, r4 = 1.0, &end # 112 PHE PHI: (111 THR C)-(112 PHE N)-(112 PHE CA)-(112 PHE C) -83.0 0.0 &rst iat = 1381, 1383, 1385, 1401, r1 = -84.0, r2 = -83.0, r3 = 0.0, r4 = 1.0, &end # 112 PHE PSI: (112 PHE N)-(112 PHE CA)-(112 PHE C)-(113 GLN N) -61.0 0.0 &rst iat = 1383, 1385, 1401, 1403, r1 = -62.0, r2 = -61.0, r3 = 0.0, r4 = 1.0, &end # 113 GLN PHI: (112 PHE C)-(113 GLN N)-(113 GLN CA)-(113 GLN C) -87.0 0.0 &rst iat = 1401, 1403, 1405, 1418, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 113 GLN PSI: (113 GLN N)-(113 GLN CA)-(113 GLN C)-(114 ALA N) -63.0 0.0 &rst iat = 1403, 1405, 1418, 1420, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 114 ALA PHI: (113 GLN C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -85.0 0.0 &rst iat = 1418, 1420, 1422, 1428, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 114 ALA PSI: (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 HID N) -55.0 0.0 &rst iat = 1420, 1422, 1428, 1430, r1 = -56.0, r2 = -55.0, r3 = 0.0, r4 = 1.0, &end # 115 HIS PHI: (114 ALA C)-(115 HID N)-(115 HID CA)-(115 HID C) -87.0 0.0 &rst iat = 1428, 1430, 1432, 1445, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 115 HIS PSI: (115 HID N)-(115 HID CA)-(115 HID C)-(116 GLN N) -57.0 0.0 &rst iat = 1430, 1432, 1445, 1447, r1 = -58.0, r2 = -57.0, r3 = 0.0, r4 = 1.0, &end # 116 GLN PHI: (115 HID C)-(116 GLN N)-(116 GLN CA)-(116 GLN C) -87.0 0.0 &rst iat = 1445, 1447, 1449, 1462, r1 = -88.0, r2 = -87.0, r3 = 0.0, r4 = 1.0, &end # 116 GLN PSI: (116 GLN N)-(116 GLN CA)-(116 GLN C)-(117 ASN N) -56.0 0.0 &rst iat = 1447, 1449, 1462, 1464, r1 = -57.0, r2 = -56.0, r3 = 0.0, r4 = 1.0, &end # 117 ASN PHI: (116 GLN C)-(117 ASN N)-(117 ASN CA)-(117 ASN C) -109.0 0.0 &rst iat = 1462, 1464, 1466, 1476, r1 = -110.0, r2 = -109.0, r3 = 0.0, r4 = 1.0, &end # 117 ASN PSI: (117 ASN N)-(117 ASN CA)-(117 ASN C)-(118 GLY N) -16.0 0.0 &rst iat = 1464, 1466, 1476, 1478, r1 = -17.0, r2 = -16.0, r3 = 0.0, r4 = 1.0, &end # 119 LEU PHI: (118 GLY C)-(119 LEU N)-(119 LEU CA)-(119 LEU C) -85.0 0.0 &rst iat = 1483, 1485, 1487, 1502, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 119 LEU PSI: (119 LEU N)-(119 LEU CA)-(119 LEU C)-(120 LEU N) -56.0 0.0 &rst iat = 1485, 1487, 1502, 1504, r1 = -57.0, r2 = -56.0, r3 = 0.0, r4 = 1.0, &end # 120 LEU PHI: (119 LEU C)-(120 LEU N)-(120 LEU CA)-(120 LEU C) -85.0 0.0 &rst iat = 1502, 1504, 1506, 1521, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 120 LEU PSI: (120 LEU N)-(120 LEU CA)-(120 LEU C)-(121 GLN N) -63.0 0.0 &rst iat = 1504, 1506, 1521, 1523, r1 = -64.0, r2 = -63.0, r3 = 0.0, r4 = 1.0, &end # 121 GLN PHI: (120 LEU C)-(121 GLN N)-(121 GLN CA)-(121 GLN C) -81.0 0.0 &rst iat = 1521, 1523, 1525, 1538, r1 = -82.0, r2 = -81.0, r3 = 0.0, r4 = 1.0, &end # 121 GLN PSI: (121 GLN N)-(121 GLN CA)-(121 GLN C)-(122 LYS N) -61.0 0.0 &rst iat = 1523, 1525, 1538, 1540, r1 = -62.0, r2 = -61.0, r3 = 0.0, r4 = 1.0, &end # 122 LYS PHI: (121 GLN C)-(122 LYS N)-(122 LYS CA)-(122 LYS C) -82.0 0.0 &rst iat = 1538, 1540, 1542, 1560, r1 = -83.0, r2 = -82.0, r3 = 0.0, r4 = 1.0, &end # 122 LYS PSI: (122 LYS N)-(122 LYS CA)-(122 LYS C)-(123 LEU N) -62.0 0.0 &rst iat = 1540, 1542, 1560, 1562, r1 = -63.0, r2 = -62.0, r3 = 0.0, r4 = 1.0, &end # 123 LEU PHI: (122 LYS C)-(123 LEU N)-(123 LEU CA)-(123 LEU C) -85.0 0.0 &rst iat = 1560, 1562, 1564, 1579, r1 = -86.0, r2 = -85.0, r3 = 0.0, r4 = 1.0, &end # 123 LEU PSI: (123 LEU N)-(123 LEU CA)-(123 LEU C)-(124 LEU N) -60.0 0.0 &rst iat = 1562, 1564, 1579, 1581, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 124 LEU PHI: (123 LEU C)-(124 LEU N)-(124 LEU CA)-(124 LEU C) -84.0 0.0 &rst iat = 1579, 1581, 1583, 1598, r1 = -85.0, r2 = -84.0, r3 = 0.0, r4 = 1.0, &end # 124 LEU PSI: (124 LEU N)-(124 LEU CA)-(124 LEU C)-(125 GLN N) -53.0 0.0 &rst iat = 1581, 1583, 1598, 1600, r1 = -54.0, r2 = -53.0, r3 = 0.0, r4 = 1.0, &end # 125 GLN PHI: (124 LEU C)-(125 GLN N)-(125 GLN CA)-(125 GLN C) -126.0 0.0 &rst iat = 1598, 1600, 1602, 1615, r1 = -127.0, r2 = -126.0, r3 = 0.0, r4 = 1.0, &end # 125 GLN PSI: (125 GLN N)-(125 GLN CA)-(125 GLN C)-(126 ASP N) -44.0 0.0 &rst iat = 1600, 1602, 1615, 1617, r1 = -45.0, r2 = -44.0, r3 = 0.0, r4 = 1.0, &end