NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
476071 | 2kmv | 16440 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 3 THR HN 3 THR QG2 4.66 (#peak 1629) &rst ixpk= 1629, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, rk2=50.0, rk3=50.0, ir6=1, ialtd=0, igr2= 41, 42, 43, &end # # 3 THR HA 3 THR QG2 4.05 (#peak 3266) &rst ixpk= 3266, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 41, 42, 43, &end # # 3 THR HB 4 MET HN 5.96 (#peak 56) &rst ixpk= 56, nxpk= 0, iat= 39, 49, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 3 THR QG2 4 MET HN 5.56 (#peak 58) &rst ixpk= 58, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1= 41, 42, 43, &end # # 4 MET QG 5 HIS HA 6.15 (#peak 6254) &rst ixpk= 6254, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 56, 57, &end # # 5 HIS HB2 6 GLY HA3 5.49 (#peak 6202) &rst ixpk= 6202, nxpk= 0, iat= 70, 86, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 6 GLY HN 7 THR HN 5.22 (#peak 1756) &rst ixpk= 1756, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 7 THR HN 185 THR HN 5.25 (#peak 2752) &rst ixpk= 2752, nxpk= 0, iat= 90,2808, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 7 THR HN 7 THR QG2 4.08 (#peak 1753) &rst ixpk= 1753, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2= 96, 97, 98, &end # # 7 THR HA 7 THR QG2 3.92 (#peak 2540) &rst ixpk= 2540, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 96, 97, 98, &end # # 7 THR HA 8 PRO QG 5.76 (#peak 5477) &rst ixpk= 5477, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2= 108, 109, &end # # 7 THR QG2 8 PRO HD2 4.61 (#peak 5474) &rst ixpk= 5474, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 96, 97, 98, &end # # 7 THR QG2 8 PRO HD3 4.54 (#peak 5558) &rst ixpk= 5558, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 96, 97, 98, &end # # 8 PRO HB2 42 LEU QD2 4.29 (#peak 6431) &rst ixpk= 6431, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 642, 643, 644, &end # # 8 PRO HB3 42 LEU QD1 4.49 (#peak 6433) &rst ixpk= 6433, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 638, 639, 640, &end # # 8 PRO HB3 42 LEU QD2 3.81 (#peak 6432) &rst ixpk= 6432, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 642, 643, 644, &end # # 9 VAL HN 182 ILE QD1 6.15 (#peak 2770) &rst ixpk= 2770, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2780,2781,2782, &end # # 9 VAL HN 182 ILE QG2 4.77 (#peak 2769) &rst ixpk= 2769, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=2773,2774,2775, &end # # 9 VAL HN 183 ALA HN 5.14 (#peak 2753) &rst ixpk= 2753, nxpk= 0, iat= 118,2786, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 9 VAL HN 183 ALA QB 5.19 (#peak 2754) &rst ixpk= 2754, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2=2790,2791,2792, &end # # 9 VAL HN 184 ASP HA 4.74 (#peak 2743) &rst ixpk= 2743, nxpk= 0, iat= 118,2798, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 9 VAL HN 9 VAL QQG 6.15 (#peak 229) &rst ixpk= 229, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 124, 125, 126, 128, 129, 130, &end # # 9 VAL HA 10 VAL HB 5.67 (#peak 5912) &rst ixpk= 5912, nxpk= 0, iat= 120, 138, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end # # 9 VAL HA 10 VAL QG1 5.97 (#peak 5479) &rst ixpk= 5479, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 140, 141, 142, &end # # 9 VAL HA 9 VAL QQG 3.53 (#peak 4272) &rst ixpk= 4272, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 124, 125, 126, 128, 129, 130, &end # # 9 VAL HB 10 VAL HN 6.15 (#peak 1205) &rst ixpk= 1205, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 9 VAL QQG 10 VAL HN 4.12 (#peak 1197) &rst ixpk= 1197, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 124, 125, 126, 128, 129, 130, &end # # 9 VAL QQG 184 ASP HA 5.03 (#peak 6279) &rst ixpk= 6279, nxpk= 0, iat= -1,2798, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr1= 124, 125, 126, 128, 129, 130, &end # # 10 VAL HN 10 VAL QG1 4.32 (#peak 1200) &rst ixpk= 1200, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 140, 141, 142, &end # # 10 VAL HN 10 VAL QG2 4.45 (#peak 1196) &rst ixpk= 1196, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 144, 145, 146, &end # # 10 VAL HN 11 ASN HN 5.59 (#peak 1124) &rst ixpk= 1124, nxpk= 0, iat= 134, 150, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 10 VAL HA 11 ASN HN 3.56 (#peak 1118) &rst ixpk= 1118, nxpk= 0, iat= 136, 150, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 10 VAL HA 12 GLN HN 4.41 (#peak 2601) &rst ixpk= 2601, nxpk= 0, iat= 136, 164, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 10 VAL HA 182 ILE HA 4.94 (#peak 6255) &rst ixpk= 6255, nxpk= 0, iat= 136,2769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 10 VAL HA 183 ALA HN 6.15 (#peak 2675) &rst ixpk= 2675, nxpk= 0, iat= 136,2786, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 10 VAL HB 11 ASN HN 5.89 (#peak 1123) &rst ixpk= 1123, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 10 VAL HB 12 GLN HN 6.15 (#peak 2603) &rst ixpk= 2603, nxpk= 0, iat= 138, 164, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 10 VAL HB 49 TYR QB 6.15 (#peak 5646) &rst ixpk= 5646, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 738, 739, &end # # 10 VAL HB 49 TYR QD 5.29 (#peak 5809) &rst ixpk= 5809, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2= 742, 751, &end # # 10 VAL QG1 11 ASN HN 4.68 (#peak 1119) &rst ixpk= 1119, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 140, 141, 142, &end # # 10 VAL QG1 49 TYR QB 5.06 (#peak 5645) &rst ixpk= 5645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 140, 141, 142, igr2= 738, 739, &end # # 10 VAL QG1 49 TYR QD 4.39 (#peak 5808) &rst ixpk= 5808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 140, 141, 142, igr2= 742, 751, &end # # 10 VAL QG1 49 TYR QE 6.15 (#peak 6374) &rst ixpk= 6374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr1= 140, 141, 142, igr2= 744, 749, &end # # 10 VAL QG2 11 ASN HN 4.48 (#peak 1114) &rst ixpk= 1114, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 144, 145, 146, &end # # 10 VAL QG2 11 ASN HA 5.70 (#peak 5807) &rst ixpk= 5807, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 144, 145, 146, &end # # 10 VAL QG2 12 GLN HN 6.15 (#peak 2600) &rst ixpk= 2600, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 144, 145, 146, &end # # 10 VAL QG2 180 ILE QG2 3.50 (#peak 6508) &rst ixpk= 6508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 144, 145, 146, igr2=2744,2745,2746, &end # # 10 VAL QG2 49 TYR QD 5.20 (#peak 3750) &rst ixpk= 3750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 144, 145, 146, igr2= 742, 751, &end # # 10 VAL QG2 49 TYR QE 5.24 (#peak 6373) &rst ixpk= 6373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 144, 145, 146, igr2= 744, 749, &end # # 11 ASN HN 11 ASN HD21 5.13 (#peak 1276) &rst ixpk= 1276, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 11 ASN HN 12 GLN HN 4.50 (#peak 264) &rst ixpk= 264, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 ASN HA 11 ASN HD21 4.73 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 11 ASN HA 11 ASN HD22 4.96 (#peak 201) &rst ixpk= 201, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 11 ASN HB2 12 GLN HN 4.55 (#peak 261) &rst ixpk= 261, nxpk= 0, iat= 154, 164, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 11 ASN HB2 181 ALA QB 5.21 (#peak 4762) &rst ixpk= 4762, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2=2761,2762,2763, &end # # 11 ASN HB2 183 ALA HN 5.66 (#peak 2676) &rst ixpk= 2676, nxpk= 0, iat= 154,2786, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 11 ASN HB2 183 ALA QB 4.95 (#peak 6278) &rst ixpk= 6278, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=2790,2791,2792, &end # # 11 ASN HB3 182 ILE QG2 4.62 (#peak 5855) &rst ixpk= 5855, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2=2773,2774,2775, &end # # 11 ASN HB3 183 ALA HN 5.21 (#peak 2678) &rst ixpk= 2678, nxpk= 0, iat= 155,2786, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 11 ASN HD21 183 ALA QB 6.15 (#peak 2523) &rst ixpk= 2523, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2790,2791,2792, &end # # 11 ASN HD22 183 ALA QB 6.15 (#peak 2677) &rst ixpk= 2677, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2790,2791,2792, &end # # 12 GLN HN 12 GLN HB2 3.84 (#peak 268) &rst ixpk= 268, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 12 GLN HN 12 GLN HB3 3.89 (#peak 260) &rst ixpk= 260, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 12 GLN HN 12 GLN HG2 5.88 (#peak 266) &rst ixpk= 266, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 12 GLN HN 12 GLN HG3 5.60 (#peak 256) &rst ixpk= 256, nxpk= 0, iat= 164, 172, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 12 GLN HN 13 VAL HN 4.53 (#peak 267) &rst ixpk= 267, nxpk= 0, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 12 GLN HN 13 VAL QG1 5.20 (#peak 2705) &rst ixpk= 2705, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 187, 188, 189, &end # # 12 GLN HN 181 ALA HN 4.11 (#peak 1261) &rst ixpk= 1261, nxpk= 0, iat= 164,2757, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 12 GLN HN 181 ALA O 2.4 &rst ixpk= 1261, nxpk= 0, iat= 164,2765, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 12 GLN HN 181 ALA QB 4.57 (#peak 2245) &rst ixpk= 2245, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=2761,2762,2763, &end # # 12 GLN HA 12 GLN HG2 3.91 (#peak 1145) &rst ixpk= 1145, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 12 GLN HB2 181 ALA HN 5.94 (#peak 2240) &rst ixpk= 2240, nxpk= 0, iat= 168,2757, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 12 GLN HB3 13 VAL HN 6.15 (#peak 1736) &rst ixpk= 1736, nxpk= 0, iat= 169, 181, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 12 GLN HB3 181 ALA HN 5.98 (#peak 2238) &rst ixpk= 2238, nxpk= 0, iat= 169,2757, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 12 GLN HG2 13 VAL HN 5.87 (#peak 1741) &rst ixpk= 1741, nxpk= 0, iat= 171, 181, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 12 GLN N 181 ALA O 3.3 &rst ixpk= 1741, nxpk= 0, iat= 163,2765, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 13 VAL HN 13 VAL QG1 5.87 (#peak 1740) &rst ixpk= 1740, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2= 187, 188, 189, &end # # 13 VAL HN 13 VAL QG2 6.15 (#peak 1737) &rst ixpk= 1737, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 191, 192, 193, &end # # 13 VAL HN 14 LYS HN 5.45 (#peak 1739) &rst ixpk= 1739, nxpk= 0, iat= 181, 197, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 13 VAL HN 181 ALA HN 5.78 (#peak 2372) &rst ixpk= 2372, nxpk= 0, iat= 181,2757, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 13 VAL HA 14 LYS HA 5.53 (#peak 4713) &rst ixpk= 4713, nxpk= 0, iat= 183, 199, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 13 VAL HA 180 ILE HA 5.17 (#peak 3413) &rst ixpk= 3413, nxpk= 0, iat= 183,2740, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 13 VAL HA 181 ALA HN 4.82 (#peak 1263) &rst ixpk= 1263, nxpk= 0, iat= 183,2757, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 13 VAL HB 14 LYS HN 4.81 (#peak 1309) &rst ixpk= 1309, nxpk= 0, iat= 185, 197, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 13 VAL HB 180 ILE QD1 5.72 (#peak 4768) &rst ixpk= 4768, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr2=2751,2752,2753, &end # # 13 VAL HB 180 ILE QG2 5.89 (#peak 4767) &rst ixpk= 4767, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=2744,2745,2746, &end # # 13 VAL QG1 14 LYS HN 5.89 (#peak 1318) &rst ixpk= 1318, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 187, 188, 189, &end # # 13 VAL QG1 180 ILE HA 4.53 (#peak 4505) &rst ixpk= 4505, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 187, 188, 189, &end # # 13 VAL QG1 180 ILE HB 4.42 (#peak 5862) &rst ixpk= 5862, nxpk= 0, iat= -1,2742, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 187, 188, 189, &end # # 13 VAL QG1 49 TYR QD 4.47 (#peak 9246) &rst ixpk= 9246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 187, 188, 189, igr2= 742, 751, &end # # 13 VAL QG1 49 TYR QE 4.29 (#peak 6469) &rst ixpk= 6469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 187, 188, 189, igr2= 744, 749, &end # # 13 VAL QG2 14 LYS HN 5.73 (#peak 1315) &rst ixpk= 1315, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, igr1= 191, 192, 193, &end # # 13 VAL QG2 14 LYS HA 5.65 (#peak 4714) &rst ixpk= 4714, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 191, 192, 193, &end # # 13 VAL QG2 180 ILE HA 5.37 (#peak 4506) &rst ixpk= 4506, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1= 191, 192, 193, &end # # 13 VAL QG2 180 ILE HG12 4.57 (#peak 4769) &rst ixpk= 4769, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 191, 192, 193, &end # # 13 VAL QG2 180 ILE QG2 4.43 (#peak 4765) &rst ixpk= 4765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 191, 192, 193, igr2=2744,2745,2746, &end # # 14 LYS HN 14 LYS HD2 6.15 (#peak 1319) &rst ixpk= 1319, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 14 LYS HN 14 LYS HD3 6.15 (#peak 1316) &rst ixpk= 1316, nxpk= 0, iat= 197, 208, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 14 LYS HN 14 LYS HG2 6.15 (#peak 1310) &rst ixpk= 1310, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 14 LYS HN 14 LYS HG3 5.98 (#peak 1323) &rst ixpk= 1323, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 14 LYS HN 15 VAL HN 4.95 (#peak 77) &rst ixpk= 77, nxpk= 0, iat= 197, 219, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 14 LYS HN 180 ILE HA 4.56 (#peak 1322) &rst ixpk= 1322, nxpk= 0, iat= 197,2740, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 14 LYS HA 14 LYS HD2 5.02 (#peak 3091) &rst ixpk= 3091, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 14 LYS HA 14 LYS HD3 5.87 (#peak 4037) &rst ixpk= 4037, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 14 LYS HA 14 LYS HE2 4.68 (#peak 2459) &rst ixpk= 2459, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 14 LYS HA 14 LYS HE3 4.93 (#peak 4465) &rst ixpk= 4465, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 14 LYS HA 15 VAL HN 2.91 (#peak 73) &rst ixpk= 73, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 14 LYS HB2 14 LYS HD3 4.03 (#peak 3849) &rst ixpk= 3849, nxpk= 0, iat= 201, 208, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 14 LYS HB2 14 LYS HE2 5.40 (#peak 4990) &rst ixpk= 4990, nxpk= 0, iat= 201, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 14 LYS HB2 14 LYS HE3 5.94 (#peak 4991) &rst ixpk= 4991, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 14 LYS HB2 15 VAL HN 4.75 (#peak 75) &rst ixpk= 75, nxpk= 0, iat= 201, 219, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 14 LYS HB2 179 LEU QD2 5.37 (#peak 4996) &rst ixpk= 4996, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=2732,2733,2734, &end # # 14 LYS HB3 14 LYS HD3 3.91 (#peak 686) &rst ixpk= 686, nxpk= 0, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 14 LYS HB3 14 LYS HE2 4.61 (#peak 2455) &rst ixpk= 2455, nxpk= 0, iat= 202, 210, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 14 LYS HB3 14 LYS HE3 6.15 (#peak 1897) &rst ixpk= 1897, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 14 LYS HB3 15 VAL HN 4.80 (#peak 80) &rst ixpk= 80, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 14 LYS HB3 179 LEU QD2 5.24 (#peak 5864) &rst ixpk= 5864, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=2732,2733,2734, &end # # 14 LYS HD3 156 PHE QD 4.45 (#peak 9175) &rst ixpk= 9175, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2=2375,2383, &end # # 14 LYS HD3 156 PHE QE 4.87 (#peak 9176) &rst ixpk= 9176, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=2377,2381, &end # # 14 LYS HD3 179 LEU QD1 5.74 (#peak 5813) &rst ixpk= 5813, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2=2728,2729,2730, &end # # 14 LYS HD3 179 LEU QD2 5.49 (#peak 5812) &rst ixpk= 5812, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2=2732,2733,2734, &end # # 14 LYS HE2 179 LEU QD2 5.81 (#peak 5000) &rst ixpk= 5000, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=2732,2733,2734, &end # # 14 LYS HE3 179 LEU QD2 5.09 (#peak 4999) &rst ixpk= 4999, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=2732,2733,2734, &end # # 14 LYS HG2 14 LYS HE2 3.86 (#peak 2454) &rst ixpk= 2454, nxpk= 0, iat= 204, 210, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 14 LYS HG2 14 LYS HE3 4.15 (#peak 4460) &rst ixpk= 4460, nxpk= 0, iat= 204, 211, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 14 LYS HG2 15 VAL HN 5.49 (#peak 5599) &rst ixpk= 5599, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 14 LYS HG2 179 LEU QD2 4.51 (#peak 4718) &rst ixpk= 4718, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=2732,2733,2734, &end # # 14 LYS HG3 15 VAL HN 6.15 (#peak 5598) &rst ixpk= 5598, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 14 LYS HG3 179 LEU HN 6.15 (#peak 2242) &rst ixpk= 2242, nxpk= 0, iat= 205,2719, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 14 LYS HG3 179 LEU QD1 4.24 (#peak 5869) &rst ixpk= 5869, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2=2728,2729,2730, &end # # 14 LYS HG3 179 LEU QD2 4.40 (#peak 4717) &rst ixpk= 4717, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2732,2733,2734, &end # # 15 VAL HN 15 VAL HB 3.70 (#peak 72) &rst ixpk= 72, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 15 VAL HN 15 VAL QG1 3.85 (#peak 76) &rst ixpk= 76, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 225, 226, 227, &end # # 15 VAL HN 15 VAL QG2 3.86 (#peak 69) &rst ixpk= 69, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 229, 230, 231, &end # # 15 VAL HN 16 LEU HN 5.76 (#peak 2006) &rst ixpk= 2006, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 15 VAL HN 178 GLY HA3 6.15 (#peak 74) &rst ixpk= 74, nxpk= 0, iat= 219,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 15 VAL HA 15 VAL QG1 3.90 (#peak 4231) &rst ixpk= 4231, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 225, 226, 227, &end # # 15 VAL HA 15 VAL QG2 4.02 (#peak 349) &rst ixpk= 349, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 229, 230, 231, &end # # 15 VAL HA 178 GLY HA2 6.07 (#peak 4730) &rst ixpk= 4730, nxpk= 0, iat= 221,2714, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end # # 15 VAL HA 178 GLY HA3 6.15 (#peak 1562) &rst ixpk= 1562, nxpk= 0, iat= 221,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 15 VAL HA 179 LEU HN 5.98 (#peak 2062) &rst ixpk= 2062, nxpk= 0, iat= 221,2719, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 15 VAL HB 16 LEU HN 6.15 (#peak 2008) &rst ixpk= 2008, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 15 VAL HB 17 THR HN 4.84 (#peak 2671) &rst ixpk= 2671, nxpk= 0, iat= 223, 254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 15 VAL QG1 16 LEU HN 6.15 (#peak 2011) &rst ixpk= 2011, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 225, 226, 227, &end # # 15 VAL QG1 177 CYS HA 4.75 (#peak 6377) &rst ixpk= 6377, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 225, 226, 227, &end # # 15 VAL QG1 17 THR HN 2.98 (#peak 2669) &rst ixpk= 2669, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr1= 225, 226, 227, &end # # 15 VAL QG1 24 HIS HA 4.79 (#peak 6406) &rst ixpk= 6406, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 225, 226, 227, &end # # 15 VAL QG2 178 GLY HA2 5.45 (#peak 5002) &rst ixpk= 5002, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 229, 230, 231, &end # # 15 VAL QG2 178 GLY HA3 5.68 (#peak 5003) &rst ixpk= 5003, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 229, 230, 231, &end # # 15 VAL QG2 24 HIS HA 3.77 (#peak 6448) &rst ixpk= 6448, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 229, 230, 231, &end # # 16 LEU HN 16 LEU HG 6.11 (#peak 2014) &rst ixpk= 2014, nxpk= 0, iat= 235, 242, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 16 LEU HN 16 LEU QD2 6.11 (#peak 2013) &rst ixpk= 2013, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr2= 248, 249, 250, &end # # 16 LEU HN 178 GLY HA3 5.65 (#peak 2694) &rst ixpk= 2694, nxpk= 0, iat= 235,2715, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 16 LEU HN 179 LEU HN 6.15 (#peak 2434) &rst ixpk= 2434, nxpk= 0, iat= 235,2719, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 16 LEU HN 17 THR HN 5.83 (#peak 1569) &rst ixpk= 1569, nxpk= 0, iat= 235, 254, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 16 LEU HN 17 THR HA 6.15 (#peak 2485) &rst ixpk= 2485, nxpk= 0, iat= 235, 256, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 16 LEU HA 16 LEU QD2 5.52 (#peak 4284) &rst ixpk= 4284, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2= 248, 249, 250, &end # # 16 LEU HB2 16 LEU QD2 4.06 (#peak 41) &rst ixpk= 41, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 248, 249, 250, &end # # 16 LEU HB2 176 LEU QD1 5.52 (#peak 5013) &rst ixpk= 5013, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2=2691,2692,2693, &end # # 16 LEU HB2 177 CYS HN 5.98 (#peak 2562) &rst ixpk= 2562, nxpk= 0, iat= 239,2701, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 16 LEU HB2 178 GLY HA2 5.16 (#peak 4733) &rst ixpk= 4733, nxpk= 0, iat= 239,2714, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 16 LEU HB2 178 GLY HA3 6.15 (#peak 5817) &rst ixpk= 5817, nxpk= 0, iat= 239,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 16 LEU HB2 17 THR HN 6.15 (#peak 1570) &rst ixpk= 1570, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 16 LEU HB3 16 LEU QD2 3.95 (#peak 37) &rst ixpk= 37, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 248, 249, 250, &end # # 16 LEU HB3 176 LEU QD1 5.25 (#peak 5014) &rst ixpk= 5014, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=2691,2692,2693, &end # # 16 LEU HB3 177 CYS HA 5.83 (#peak 5022) &rst ixpk= 5022, nxpk= 0, iat= 240,2703, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 16 LEU HB3 178 GLY HN 5.13 (#peak 2444) &rst ixpk= 2444, nxpk= 0, iat= 240,2712, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 16 LEU HB3 178 GLY HA2 5.30 (#peak 5078) &rst ixpk= 5078, nxpk= 0, iat= 240,2714, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 16 LEU HB3 178 GLY HA3 5.66 (#peak 5816) &rst ixpk= 5816, nxpk= 0, iat= 240,2715, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 16 LEU HB3 17 THR HN 5.88 (#peak 1568) &rst ixpk= 1568, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 16 LEU HG 176 LEU HB2 5.26 (#peak 5019) &rst ixpk= 5019, nxpk= 0, iat= 242,2686, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 16 LEU HG 176 LEU HB3 4.63 (#peak 5044) &rst ixpk= 5044, nxpk= 0, iat= 242,2687, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 16 LEU HG 176 LEU QD1 5.45 (#peak 5018) &rst ixpk= 5018, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2=2691,2692,2693, &end # # 16 LEU HG 17 THR HN 6.03 (#peak 1565) &rst ixpk= 1565, nxpk= 0, iat= 242, 254, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 16 LEU QD2 177 CYS HN 5.94 (#peak 2561) &rst ixpk= 2561, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 248, 249, 250, &end # # 16 LEU QD2 179 LEU HN 6.15 (#peak 2430) &rst ixpk= 2430, nxpk= 0, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 248, 249, 250, &end # # 17 THR HN 177 CYS HA 6.15 (#peak 2438) &rst ixpk= 2438, nxpk= 0, iat= 254,2703, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 17 THR HN 177 CYS HB2 5.93 (#peak 2545) &rst ixpk= 2545, nxpk= 0, iat= 254,2705, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end # # 17 THR HN 17 THR QG2 6.15 (#peak 1562) &rst ixpk= 1562, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 260, 261, 262, &end # # 17 THR HN 18 GLU HN 6.15 (#peak 2112) &rst ixpk= 2112, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 17 THR HA 176 LEU HB2 6.08 (#peak 5118) &rst ixpk= 5118, nxpk= 0, iat= 256,2686, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end # # 17 THR HA 176 LEU HB3 5.09 (#peak 6299) &rst ixpk= 6299, nxpk= 0, iat= 256,2687, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 17 THR HA 177 CYS HA 6.15 (#peak 4721) &rst ixpk= 4721, nxpk= 0, iat= 256,2703, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 17 THR HB 177 CYS HA 5.56 (#peak 4771) &rst ixpk= 4771, nxpk= 0, iat= 258,2703, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 17 THR HB 177 CYS HB2 5.95 (#peak 6475) &rst ixpk= 6475, nxpk= 0, iat= 258,2705, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 17 THR HB 177 CYS HB3 5.11 (#peak 6474) &rst ixpk= 6474, nxpk= 0, iat= 258,2706, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 17 THR HB 18 GLU HN 5.54 (#peak 2111) &rst ixpk= 2111, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end # # 17 THR HB 27 ILE QD1 6.15 (#peak 5116) &rst ixpk= 5116, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 431, 432, 433, &end # # 17 THR QG2 177 CYS HN 6.15 (#peak 2547) &rst ixpk= 2547, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 260, 261, 262, &end # # 17 THR QG2 177 CYS HA 5.68 (#peak 4720) &rst ixpk= 4720, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 260, 261, 262, &end # # 17 THR QG2 18 GLU HN 5.93 (#peak 2107) &rst ixpk= 2107, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr1= 260, 261, 262, &end # # 17 THR QG2 27 ILE HB 5.32 (#peak 5135) &rst ixpk= 5135, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 260, 261, 262, &end # # 17 THR QG2 27 ILE QD1 5.57 (#peak 5133) &rst ixpk= 5133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 260, 261, 262, igr2= 431, 432, 433, &end # # 17 THR QG2 27 ILE QG2 5.67 (#peak 5134) &rst ixpk= 5134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 260, 261, 262, igr2= 424, 425, 426, &end # # 18 GLU HN 18 GLU HG2 6.15 (#peak 2109) &rst ixpk= 2109, nxpk= 0, iat= 268, 275, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 18 GLU HN 18 GLU HG3 5.99 (#peak 2113) &rst ixpk= 2113, nxpk= 0, iat= 268, 276, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 18 GLU HN 19 SER HN 5.94 (#peak 2106) &rst ixpk= 2106, nxpk= 0, iat= 268, 283, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 18 GLU HA 18 GLU HG2 4.19 (#peak 1114) &rst ixpk= 1114, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 18 GLU HA 18 GLU HG3 4.19 (#peak 1118) &rst ixpk= 1118, nxpk= 0, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 18 GLU HA 24 HIS HN 5.34 (#peak 6552) &rst ixpk= 6552, nxpk= 0, iat= 270, 362, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 18 GLU HB2 19 SER HN 5.47 (#peak 696) &rst ixpk= 696, nxpk= 0, iat= 272, 283, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 18 GLU HB3 19 SER HN 4.92 (#peak 691) &rst ixpk= 691, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 18 GLU HG2 19 SER HN 5.11 (#peak 695) &rst ixpk= 695, nxpk= 0, iat= 275, 283, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 18 GLU HG3 19 SER HN 4.91 (#peak 697) &rst ixpk= 697, nxpk= 0, iat= 276, 283, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 19 SER HN 20 ASN HA 6.15 (#peak 2479) &rst ixpk= 2479, nxpk= 0, iat= 283, 296, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 19 SER HB2 20 ASN HN 5.99 (#peak 443) &rst ixpk= 443, nxpk= 0, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 20 ASN HN 21 ARG HN 5.18 (#peak 582) &rst ixpk= 582, nxpk= 0, iat= 294, 308, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 20 ASN HN 22 ILE HN 5.68 (#peak 2294) &rst ixpk= 2294, nxpk= 0, iat= 294, 332, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 20 ASN QB 21 ARG HN 6.15 (#peak 578) &rst ixpk= 578, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 298, 299, &end # # 20 ASN QB 21 ARG HA 4.73 (#peak 5411) &rst ixpk= 5411, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 298, 299, &end # # 20 ASN QB 22 ILE HN 6.15 (#peak 2292) &rst ixpk= 2292, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 298, 299, &end # # 20 ASN QB 22 ILE QD1 5.72 (#peak 6380) &rst ixpk= 6380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1= 298, 299, igr2= 345, 346, 347, &end # # 21 ARG HN 21 ARG HG2 5.87 (#peak 588) &rst ixpk= 588, nxpk= 0, iat= 308, 315, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 21 ARG HN 21 ARG HG3 6.15 (#peak 581) &rst ixpk= 581, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 21 ARG HN 21 ARG QD 6.15 (#peak 586) &rst ixpk= 586, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 318, 319, &end # # 21 ARG HN 22 ILE HN 4.29 (#peak 1575) &rst ixpk= 1575, nxpk= 0, iat= 308, 332, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 21 ARG HA 21 ARG QD 4.56 (#peak 1814) &rst ixpk= 1814, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 318, 319, &end # # 21 ARG HB2 175 GLU HB2 4.75 (#peak 5052) &rst ixpk= 5052, nxpk= 0, iat= 312,2671, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 21 ARG HB2 175 GLU HB3 4.83 (#peak 5048) &rst ixpk= 5048, nxpk= 0, iat= 312,2672, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 21 ARG HB2 175 GLU QG 5.10 (#peak 5046) &rst ixpk= 5046, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=2674,2675, &end # # 21 ARG HB2 21 ARG QD 3.74 (#peak 1807) &rst ixpk= 1807, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 318, 319, &end # # 21 ARG HB2 22 ILE HN 4.41 (#peak 1577) &rst ixpk= 1577, nxpk= 0, iat= 312, 332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 21 ARG HB2 22 ILE QD1 5.56 (#peak 5419) &rst ixpk= 5419, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr2= 345, 346, 347, &end # # 21 ARG HB3 175 GLU HB3 5.35 (#peak 5054) &rst ixpk= 5054, nxpk= 0, iat= 313,2672, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 21 ARG HB3 21 ARG QD 3.75 (#peak 1812) &rst ixpk= 1812, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 318, 319, &end # # 21 ARG HB3 22 ILE HN 4.23 (#peak 1573) &rst ixpk= 1573, nxpk= 0, iat= 313, 332, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 21 ARG HB3 22 ILE QD1 5.77 (#peak 5418) &rst ixpk= 5418, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 345, 346, 347, &end # # 21 ARG HG2 22 ILE HN 4.79 (#peak 1583) &rst ixpk= 1583, nxpk= 0, iat= 315, 332, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 21 ARG HG2 22 ILE QD1 4.95 (#peak 5416) &rst ixpk= 5416, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2= 345, 346, 347, &end # # 21 ARG HG2 22 ILE QG1 5.55 (#peak 5414) &rst ixpk= 5414, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2= 342, 343, &end # # 21 ARG HG2 22 ILE QG2 5.50 (#peak 5420) &rst ixpk= 5420, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 338, 339, 340, &end # # 21 ARG HG3 22 ILE HN 4.87 (#peak 1574) &rst ixpk= 1574, nxpk= 0, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 21 ARG HG3 22 ILE QD1 5.93 (#peak 5417) &rst ixpk= 5417, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr2= 345, 346, 347, &end # # 21 ARG HG3 22 ILE QG1 5.57 (#peak 5415) &rst ixpk= 5415, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr2= 342, 343, &end # # 21 ARG QD 175 GLU HB3 6.06 (#peak 5050) &rst ixpk= 5050, nxpk= 0, iat= -1,2672, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1= 318, 319, &end # # 21 ARG QD 22 ILE HN 5.98 (#peak 1579) &rst ixpk= 1579, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 318, 319, &end # # 21 ARG QD 22 ILE QD1 4.77 (#peak 6451) &rst ixpk= 6451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 318, 319, igr2= 345, 346, 347, &end # # 22 ILE HN 22 ILE QD1 4.69 (#peak 1580) &rst ixpk= 1580, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 345, 346, 347, &end # # 22 ILE HN 22 ILE QG1 4.52 (#peak 1582) &rst ixpk= 1582, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 342, 343, &end # # 22 ILE HN 22 ILE QG2 4.61 (#peak 1585) &rst ixpk= 1585, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2= 338, 339, 340, &end # # 22 ILE HN 23 SER HA 5.35 (#peak 2696) &rst ixpk= 2696, nxpk= 0, iat= 332, 353, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 22 ILE HA 22 ILE QD1 4.81 (#peak 642) &rst ixpk= 642, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 345, 346, 347, &end # # 22 ILE HB 22 ILE QD1 3.24 (#peak 2039) &rst ixpk= 2039, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 345, 346, 347, &end # # 22 ILE HB 23 SER HN 6.15 (#peak 1062) &rst ixpk= 1062, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 22 ILE HB 23 SER HA 5.77 (#peak 5422) &rst ixpk= 5422, nxpk= 0, iat= 336, 353, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 22 ILE HB 27 ILE HG12 5.49 (#peak 5137) &rst ixpk= 5137, nxpk= 0, iat= 336, 428, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 22 ILE HB 27 ILE QD1 4.57 (#peak 4660) &rst ixpk= 4660, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 431, 432, 433, &end # # 22 ILE QD1 27 ILE QD1 4.91 (#peak 4547) &rst ixpk= 4547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr1= 345, 346, 347, igr2= 431, 432, 433, &end # # 22 ILE QG1 23 SER HN 6.15 (#peak 1060) &rst ixpk= 1060, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 342, 343, &end # # 22 ILE QG1 27 ILE QD1 5.07 (#peak 4549) &rst ixpk= 4549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 342, 343, igr2= 431, 432, 433, &end # # 22 ILE QG2 177 CYS HB2 5.93 (#peak 6450) &rst ixpk= 6450, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr1= 338, 339, 340, &end # # 22 ILE QG2 22 ILE QD1 4.60 (#peak 2034) &rst ixpk= 2034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 338, 339, 340, igr2= 345, 346, 347, &end # # 22 ILE QG2 22 ILE QG1 4.16 (#peak 168) &rst ixpk= 168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 338, 339, 340, igr2= 342, 343, &end # # 22 ILE QG2 23 SER HN 5.78 (#peak 1063) &rst ixpk= 1063, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 338, 339, 340, &end # # 22 ILE QG2 27 ILE HN 6.06 (#peak 2358) &rst ixpk= 2358, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 338, 339, 340, &end # # 22 ILE QG2 27 ILE HA 5.74 (#peak 4692) &rst ixpk= 4692, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 338, 339, 340, &end # # 22 ILE QG2 27 ILE HB 5.66 (#peak 5141) &rst ixpk= 5141, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1= 338, 339, 340, &end # # 22 ILE QG2 27 ILE HG12 5.05 (#peak 5142) &rst ixpk= 5142, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 338, 339, 340, &end # # 22 ILE QG2 27 ILE HG13 4.78 (#peak 5140) &rst ixpk= 5140, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 338, 339, 340, &end # # 22 ILE QG2 27 ILE QD1 3.58 (#peak 4693) &rst ixpk= 4693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 338, 339, 340, igr2= 431, 432, 433, &end # # 22 ILE QG2 27 ILE QG2 5.11 (#peak 5139) &rst ixpk= 5139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1= 338, 339, 340, igr2= 424, 425, 426, &end # # 22 ILE QG2 30 ILE QD1 4.83 (#peak 6193) &rst ixpk= 6193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 338, 339, 340, igr2= 479, 480, 481, &end # # 23 SER HN 27 ILE HG12 5.86 (#peak 2295) &rst ixpk= 2295, nxpk= 0, iat= 351, 428, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 23 SER HN 27 ILE HG13 6.15 (#peak 2296) &rst ixpk= 2296, nxpk= 0, iat= 351, 429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 23 SER HB3 24 HIS HN 6.15 (#peak 52) &rst ixpk= 52, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 23 SER HB3 24 HIS HA 5.58 (#peak 5128) &rst ixpk= 5128, nxpk= 0, iat= 356, 364, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end # # 24 HIS HA 27 ILE HN 5.81 (#peak 116) &rst ixpk= 116, nxpk= 0, iat= 364, 418, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 24 HIS HA 27 ILE HB 4.94 (#peak 5129) &rst ixpk= 5129, nxpk= 0, iat= 364, 422, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 24 HIS HA 27 ILE QD1 4.82 (#peak 6438) &rst ixpk= 6438, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 431, 432, 433, &end # # 24 HIS HA 27 ILE QG2 4.19 (#peak 5130) &rst ixpk= 5130, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 424, 425, 426, &end # # 27 ILE HN 27 ILE HG12 6.10 (#peak 109) &rst ixpk= 109, nxpk= 0, iat= 418, 428, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 27 ILE HN 27 ILE HG13 6.15 (#peak 107) &rst ixpk= 107, nxpk= 0, iat= 418, 429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 27 ILE HN 27 ILE QD1 6.15 (#peak 113) &rst ixpk= 113, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 431, 432, 433, &end # # 27 ILE HN 27 ILE QG2 4.28 (#peak 105) &rst ixpk= 105, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 424, 425, 426, &end # # 27 ILE HN 28 LEU HN 3.91 (#peak 862) &rst ixpk= 862, nxpk= 0, iat= 418, 437, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 27 ILE HN 29 ALA HN 6.15 (#peak 636) &rst ixpk= 636, nxpk= 0, iat= 418, 456, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 27 ILE HA 172 VAL QG2 4.74 (#peak 6169) &rst ixpk= 6169, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=2637,2638,2639, &end # # 27 ILE HA 27 ILE QD1 4.67 (#peak 678) &rst ixpk= 678, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 431, 432, 433, &end # # 27 ILE HA 27 ILE QG2 4.07 (#peak 3809) &rst ixpk= 3809, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 424, 425, 426, &end # # 27 ILE HA 30 ILE HB 5.60 (#peak 671) &rst ixpk= 671, nxpk= 0, iat= 420, 470, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 27 ILE HA 30 ILE HG12 5.89 (#peak 4679) &rst ixpk= 4679, nxpk= 0, iat= 420, 476, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 27 ILE HA 30 ILE QD1 4.90 (#peak 4677) &rst ixpk= 4677, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 479, 480, 481, &end # # 27 ILE HA 31 VAL HN 5.03 (#peak 2154) &rst ixpk= 2154, nxpk= 0, iat= 420, 485, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 27 ILE HB 27 ILE QD1 3.72 (#peak 3290) &rst ixpk= 3290, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 431, 432, 433, &end # # 27 ILE HB 28 LEU HN 6.15 (#peak 868) &rst ixpk= 868, nxpk= 0, iat= 422, 437, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 27 ILE HG12 28 LEU HN 6.15 (#peak 867) &rst ixpk= 867, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 27 ILE HG12 30 ILE QD1 6.15 (#peak 5172) &rst ixpk= 5172, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 479, 480, 481, &end # # 27 ILE HG13 172 VAL QG2 4.64 (#peak 4558) &rst ixpk= 4558, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=2637,2638,2639, &end # # 27 ILE HG13 30 ILE HG12 6.11 (#peak 5159) &rst ixpk= 5159, nxpk= 0, iat= 429, 476, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 27 ILE HG13 30 ILE QD1 6.15 (#peak 5174) &rst ixpk= 5174, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 479, 480, 481, &end # # 27 ILE QD1 177 CYS HA 5.05 (#peak 5876) &rst ixpk= 5876, nxpk= 0, iat= -1,2703, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 431, 432, 433, &end # # 27 ILE QD1 177 CYS HB2 5.31 (#peak 4562) &rst ixpk= 4562, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 431, 432, 433, &end # # 27 ILE QD1 177 CYS HB3 5.04 (#peak 4561) &rst ixpk= 4561, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 431, 432, 433, &end # # 27 ILE QD1 178 GLY HA2 5.03 (#peak 6439) &rst ixpk= 6439, nxpk= 0, iat= -1,2714, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 431, 432, 433, &end # # 27 ILE QD1 178 GLY HA3 4.96 (#peak 6440) &rst ixpk= 6440, nxpk= 0, iat= -1,2715, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 431, 432, 433, &end # # 27 ILE QD1 28 LEU HN 6.15 (#peak 872) &rst ixpk= 872, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 431, 432, 433, &end # # 27 ILE QD1 30 ILE QD1 4.59 (#peak 5905) &rst ixpk= 5905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 431, 432, 433, igr2= 479, 480, 481, &end # # 27 ILE QG2 177 CYS HB2 5.77 (#peak 4563) &rst ixpk= 4563, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 424, 425, 426, &end # # 27 ILE QG2 177 CYS HB3 4.85 (#peak 4567) &rst ixpk= 4567, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 424, 425, 426, &end # # 27 ILE QG2 27 ILE HG12 3.81 (#peak 3810) &rst ixpk= 3810, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 424, 425, 426, &end # # 27 ILE QG2 27 ILE HG13 3.57 (#peak 2684) &rst ixpk= 2684, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 424, 425, 426, &end # # 27 ILE QG2 27 ILE QD1 3.25 (#peak 3289) &rst ixpk= 3289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 424, 425, 426, igr2= 431, 432, 433, &end # # 27 ILE QG2 28 LEU HN 5.97 (#peak 861) &rst ixpk= 861, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1= 424, 425, 426, &end # # 27 ILE QG2 28 LEU HA 5.38 (#peak 5149) &rst ixpk= 5149, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1= 424, 425, 426, &end # # 27 ILE QG2 30 ILE HB 6.10 (#peak 5169) &rst ixpk= 5169, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 424, 425, 426, &end # # 27 ILE QG2 30 ILE HG12 5.21 (#peak 5168) &rst ixpk= 5168, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 424, 425, 426, &end # # 27 ILE QG2 30 ILE QD1 5.29 (#peak 5167) &rst ixpk= 5167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr1= 424, 425, 426, igr2= 479, 480, 481, &end # # 27 ILE QG2 31 VAL QG2 4.95 (#peak 5181) &rst ixpk= 5181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 424, 425, 426, igr2= 495, 496, 497, &end # # 28 LEU HN 24 HIS O 2.4 &rst ixpk= 5181, nxpk= 0, iat= 437, 377, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 28 LEU HN 28 LEU HG 6.15 (#peak 874) &rst ixpk= 874, nxpk= 0, iat= 437, 444, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 28 LEU HN 28 LEU QQD 6.15 (#peak 870) &rst ixpk= 870, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 450, 451, 452, 446, 447, 448, &end # # 28 LEU HN 29 ALA HN 3.99 (#peak 865) &rst ixpk= 865, nxpk= 0, iat= 437, 456, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 28 LEU HA 28 LEU QQD 5.27 (#peak 3981) &rst ixpk= 3981, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr2= 450, 451, 452, 446, 447, 448, &end # # 28 LEU HA 31 VAL HN 5.37 (#peak 2150) &rst ixpk= 2150, nxpk= 0, iat= 439, 485, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 28 LEU HA 31 VAL QG1 4.42 (#peak 6147) &rst ixpk= 6147, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 491, 492, 493, &end # # 28 LEU HA 32 GLY HN 5.07 (#peak 1018) &rst ixpk= 1018, nxpk= 0, iat= 439, 501, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 28 LEU HB2 28 LEU QQD 4.24 (#peak 3593) &rst ixpk= 3593, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 450, 451, 452, 446, 447, 448, &end # # 28 LEU HB2 29 ALA HN 4.38 (#peak 637) &rst ixpk= 637, nxpk= 0, iat= 441, 456, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 28 LEU HB3 28 LEU QQD 3.05 (#peak 4060) &rst ixpk= 4060, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 450, 451, 452, 446, 447, 448, &end # # 28 LEU HB3 29 ALA HN 4.15 (#peak 639) &rst ixpk= 639, nxpk= 0, iat= 442, 456, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 28 LEU HB3 29 ALA QB 6.07 (#peak 6181) &rst ixpk= 6181, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr2= 460, 461, 462, &end # # 28 LEU HG 29 ALA HN 6.15 (#peak 646) &rst ixpk= 646, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 28 LEU HG 29 ALA QB 6.15 (#peak 6179) &rst ixpk= 6179, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 460, 461, 462, &end # # 28 LEU HG 54 LEU QD2 5.69 (#peak 5291) &rst ixpk= 5291, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2= 833, 834, 835, &end # # 28 LEU N 24 HIS O 3.3 &rst ixpk= 5291, nxpk= 0, iat= 436, 377, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 28 LEU QQD 29 ALA HN 4.29 (#peak 641) &rst ixpk= 641, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 450, 451, 452, 446, 447, 448, &end # # 28 LEU QQD 29 ALA HA 5.04 (#peak 4699) &rst ixpk= 4699, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 450, 451, 452, 446, 447, 448, &end # # 28 LEU QQD 29 ALA QB 4.32 (#peak 6180) &rst ixpk= 6180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 450, 451, 452, 446, 447, 448, igr2= 460, 461, 462, &end # # 28 LEU QQD 50 CYS HA 5.48 (#peak 6403) &rst ixpk= 6403, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 450, 451, 452, 446, 447, 448, &end # # 28 LEU QQD 54 LEU QD2 4.29 (#peak 5288) &rst ixpk= 5288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 450, 451, 452, 446, 447, 448, igr2= 833, 834, 835, &end # # 29 ALA HN 25 HIS O 2.4 &rst ixpk= 5288, nxpk= 0, iat= 456, 394, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 29 ALA HN 29 ALA QB 2.74 (#peak 643) &rst ixpk= 643, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 460, 461, 462, &end # # 29 ALA HN 30 ILE HN 3.86 (#peak 644) &rst ixpk= 644, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 29 ALA HN 30 ILE HG12 5.08 (#peak 2656) &rst ixpk= 2656, nxpk= 0, iat= 456, 476, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 29 ALA HN 30 ILE QG2 6.15 (#peak 2655) &rst ixpk= 2655, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 472, 473, 474, &end # # 29 ALA HN 31 VAL HN 4.97 (#peak 647) &rst ixpk= 647, nxpk= 0, iat= 456, 485, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 29 ALA HA 31 VAL HN 5.70 (#peak 2157) &rst ixpk= 2157, nxpk= 0, iat= 458, 485, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 29 ALA HA 33 THR QG2 5.36 (#peak 5932) &rst ixpk= 5932, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2= 514, 515, 516, &end # # 29 ALA HA 54 LEU QD1 4.69 (#peak 6178) &rst ixpk= 6178, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 829, 830, 831, &end # # 29 ALA N 25 HIS O 3.3 &rst ixpk= 6178, nxpk= 0, iat= 455, 394, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 29 ALA QB 30 ILE HN 6.15 (#peak 1657) &rst ixpk= 1657, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 460, 461, 462, &end # # 29 ALA QB 31 VAL HN 5.83 (#peak 2577) &rst ixpk= 2577, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 460, 461, 462, &end # # 29 ALA QB 33 THR HN 5.22 (#peak 2681) &rst ixpk= 2681, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 460, 461, 462, &end # # 30 ILE HN 26 LYS O 2.4 &rst ixpk= 2681, nxpk= 0, iat= 466, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 30 ILE HN 30 ILE HB 3.91 (#peak 1652) &rst ixpk= 1652, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 30 ILE HN 30 ILE HG12 6.06 (#peak 1650) &rst ixpk= 1650, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 30 ILE HN 30 ILE HG13 6.15 (#peak 1660) &rst ixpk= 1660, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 30 ILE HN 30 ILE QD1 6.15 (#peak 1656) &rst ixpk= 1656, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 479, 480, 481, &end # # 30 ILE HN 30 ILE QG2 6.04 (#peak 1653) &rst ixpk= 1653, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, igr2= 472, 473, 474, &end # # 30 ILE HN 31 VAL HN 4.95 (#peak 2153) &rst ixpk= 2153, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 30 ILE HN 32 GLY HN 4.55 (#peak 1021) &rst ixpk= 1021, nxpk= 0, iat= 466, 501, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 30 ILE HA 30 ILE QD1 4.83 (#peak 313) &rst ixpk= 313, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2= 479, 480, 481, &end # # 30 ILE HA 33 THR HN 5.91 (#peak 458) &rst ixpk= 458, nxpk= 0, iat= 468, 508, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 30 ILE HA 33 THR HB 6.15 (#peak 2446) &rst ixpk= 2446, nxpk= 0, iat= 468, 512, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 30 ILE HA 33 THR QG2 4.94 (#peak 5844) &rst ixpk= 5844, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 514, 515, 516, &end # # 30 ILE HA 77 VAL QG2 4.94 (#peak 6186) &rst ixpk= 6186, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1157,1158,1159, &end # # 30 ILE HB 30 ILE QD1 3.85 (#peak 315) &rst ixpk= 315, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 479, 480, 481, &end # # 30 ILE HB 31 VAL HN 4.21 (#peak 2142) &rst ixpk= 2142, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 30 ILE HB 32 GLY HN 6.00 (#peak 2578) &rst ixpk= 2578, nxpk= 0, iat= 470, 501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 30 ILE HG12 31 VAL HN 5.55 (#peak 2140) &rst ixpk= 2140, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 30 ILE HG13 31 VAL HN 4.95 (#peak 2155) &rst ixpk= 2155, nxpk= 0, iat= 477, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 30 ILE N 26 LYS O 3.3 &rst ixpk= 2155, nxpk= 0, iat= 465, 416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 30 ILE QD1 132 TYR HB3 6.12 (#peak 6461) &rst ixpk= 6461, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 479, 480, 481, &end # # 30 ILE QD1 132 TYR QE 3.95 (#peak 6114) &rst ixpk= 6114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 479, 480, 481, igr2=1979,1984, &end # # 30 ILE QD1 172 VAL QG1 4.83 (#peak 6191) &rst ixpk= 6191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 479, 480, 481, igr2=2633,2634,2635, &end # # 30 ILE QD1 172 VAL QG2 4.58 (#peak 6192) &rst ixpk= 6192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 479, 480, 481, igr2=2637,2638,2639, &end # # 30 ILE QD1 31 VAL HN 5.75 (#peak 2148) &rst ixpk= 2148, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1= 479, 480, 481, &end # # 30 ILE QG2 30 ILE HG13 3.98 (#peak 2179) &rst ixpk= 2179, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 472, 473, 474, &end # # 30 ILE QG2 30 ILE QD1 3.19 (#peak 318) &rst ixpk= 318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 472, 473, 474, igr2= 479, 480, 481, &end # # 30 ILE QG2 31 VAL HN 4.32 (#peak 2143) &rst ixpk= 2143, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 472, 473, 474, &end # # 30 ILE QG2 33 THR HB 4.45 (#peak 6417) &rst ixpk= 6417, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 472, 473, 474, &end # # 31 VAL HN 27 ILE O 2.4 &rst ixpk= 6417, nxpk= 0, iat= 485, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 31 VAL HN 31 VAL HB 3.62 (#peak 2152) &rst ixpk= 2152, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 31 VAL HN 31 VAL QG1 3.87 (#peak 2151) &rst ixpk= 2151, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 491, 492, 493, &end # # 31 VAL HN 31 VAL QG2 3.86 (#peak 2145) &rst ixpk= 2145, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 495, 496, 497, &end # # 31 VAL HN 32 GLY HN 3.98 (#peak 1022) &rst ixpk= 1022, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 31 VAL HN 33 THR HN 5.08 (#peak 469) &rst ixpk= 469, nxpk= 0, iat= 485, 508, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 31 VAL HA 136 ILE QD1 3.83 (#peak 6530) &rst ixpk= 6530, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=2060,2061,2062, &end # # 31 VAL HA 31 VAL QG1 3.90 (#peak 1087) &rst ixpk= 1087, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 491, 492, 493, &end # # 31 VAL HA 31 VAL QG2 3.80 (#peak 1092) &rst ixpk= 1092, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 495, 496, 497, &end # # 31 VAL HA 34 ALA HN 5.13 (#peak 558) &rst ixpk= 558, nxpk= 0, iat= 487, 522, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 31 VAL HB 32 GLY HN 4.41 (#peak 1020) &rst ixpk= 1020, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 31 VAL HB 33 THR HN 6.15 (#peak 2556) &rst ixpk= 2556, nxpk= 0, iat= 489, 508, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 31 VAL N 27 ILE O 3.3 &rst ixpk= 2556, nxpk= 0, iat= 484, 435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 31 VAL QG1 32 GLY HN 4.05 (#peak 1019) &rst ixpk= 1019, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 491, 492, 493, &end # # 31 VAL QG1 35 GLU QB 4.91 (#peak 5205) &rst ixpk= 5205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 491, 492, 493, igr2= 536, 537, &end # # 31 VAL QG1 46 ILE QD1 3.17 (#peak 6385) &rst ixpk= 6385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 491, 492, 493, igr2= 692, 693, 694, &end # # 31 VAL QG2 32 GLY HN 4.08 (#peak 1013) &rst ixpk= 1013, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 495, 496, 497, &end # # 32 GLY HN 28 LEU O 2.4 &rst ixpk= 1013, nxpk= 0, iat= 501, 454, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 32 GLY HN 33 THR HN 4.12 (#peak 1011) &rst ixpk= 1011, nxpk= 0, iat= 501, 508, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 32 GLY HN 34 ALA HN 4.59 (#peak 1012) &rst ixpk= 1012, nxpk= 0, iat= 501, 522, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 32 GLY HA2 34 ALA HN 5.41 (#peak 552) &rst ixpk= 552, nxpk= 0, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 32 GLY HA2 46 ILE QD1 4.85 (#peak 5885) &rst ixpk= 5885, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2= 692, 693, 694, &end # # 32 GLY HA3 33 THR QG2 6.15 (#peak 5920) &rst ixpk= 5920, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 514, 515, 516, &end # # 32 GLY HA3 46 ILE QD1 5.79 (#peak 5884) &rst ixpk= 5884, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr2= 692, 693, 694, &end # # 32 GLY N 28 LEU O 3.3 &rst ixpk= 5884, nxpk= 0, iat= 500, 454, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 33 THR HN 29 ALA O 2.4 &rst ixpk= 5884, nxpk= 0, iat= 508, 464, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 33 THR HN 33 THR HG1 3.89 (#peak 9234) &rst ixpk= 9234, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 33 THR HN 33 THR QG2 6.15 (#peak 464) &rst ixpk= 464, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 514, 515, 516, &end # # 33 THR HN 34 ALA HN 3.80 (#peak 460) &rst ixpk= 460, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 33 THR HN 46 ILE QG2 4.82 (#peak 2680) &rst ixpk= 2680, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 685, 686, 687, &end # # 33 THR HA 33 THR HG1 3.84 (#peak 9235) &rst ixpk= 9235, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 33 THR HA 47 THR HA 6.15 (#peak 6212) &rst ixpk= 6212, nxpk= 0, iat= 510, 700, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 33 THR HA 59 LEU QD1 5.66 (#peak 5899) &rst ixpk= 5899, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr2= 903, 904, 905, &end # # 33 THR HB 34 ALA HN 5.55 (#peak 559) &rst ixpk= 559, nxpk= 0, iat= 512, 522, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 33 THR HB 36 SER HN 6.11 (#peak 2584) &rst ixpk= 2584, nxpk= 0, iat= 512, 547, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 33 THR HB 59 LEU HB2 5.64 (#peak 5937) &rst ixpk= 5937, nxpk= 0, iat= 512, 898, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 33 THR HB 59 LEU HG 5.84 (#peak 5897) &rst ixpk= 5897, nxpk= 0, iat= 512, 901, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 33 THR HB 60 GLY HN 5.28 (#peak 2740) &rst ixpk= 2740, nxpk= 0, iat= 512, 913, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 33 THR HB 60 GLY HA3 5.82 (#peak 6452) &rst ixpk= 6452, nxpk= 0, iat= 512, 916, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 33 THR HG1 60 GLY HN 5.84 (#peak 2737) &rst ixpk= 2737, nxpk= 0, iat= 518, 913, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 33 THR N 29 ALA O 3.3 &rst ixpk= 2737, nxpk= 0, iat= 507, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 33 THR QG2 34 ALA HN 5.99 (#peak 555) &rst ixpk= 555, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 514, 515, 516, &end # # 33 THR QG2 35 GLU HN 6.15 (#peak 2516) &rst ixpk= 2516, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 514, 515, 516, &end # # 33 THR QG2 59 LEU HB3 5.39 (#peak 5902) &rst ixpk= 5902, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 514, 515, 516, &end # # 33 THR QG2 59 LEU HG 5.63 (#peak 5903) &rst ixpk= 5903, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 514, 515, 516, &end # # 33 THR QG2 59 LEU QD1 4.18 (#peak 5900) &rst ixpk= 5900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 514, 515, 516, igr2= 903, 904, 905, &end # # 33 THR QG2 60 GLY HN 4.75 (#peak 2739) &rst ixpk= 2739, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 514, 515, 516, &end # # 33 THR QG2 60 GLY HA2 3.79 (#peak 5471) &rst ixpk= 5471, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 514, 515, 516, &end # # 33 THR QG2 60 GLY HA3 4.10 (#peak 6441) &rst ixpk= 6441, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 514, 515, 516, &end # # 33 THR QG2 61 THR HN 4.10 (#peak 2383) &rst ixpk= 2383, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 514, 515, 516, &end # # 33 THR QG2 61 THR HA 4.13 (#peak 5960) &rst ixpk= 5960, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 514, 515, 516, &end # # 34 ALA HN 34 ALA QB 4.09 (#peak 554) &rst ixpk= 554, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 526, 527, 528, &end # # 34 ALA HN 35 GLU HN 4.54 (#peak 1252) &rst ixpk= 1252, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 34 ALA HN 36 SER HN 4.38 (#peak 553) &rst ixpk= 553, nxpk= 0, iat= 522, 547, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 34 ALA HN 63 ILE QD1 6.15 (#peak 2682) &rst ixpk= 2682, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 958, 959, 960, &end # # 34 ALA HA 37 ASN HN 5.96 (#peak 2086) &rst ixpk= 2086, nxpk= 0, iat= 524, 558, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 34 ALA HA 63 ILE HB 5.95 (#peak 4744) &rst ixpk= 4744, nxpk= 0, iat= 524, 949, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 34 ALA HA 63 ILE QD1 6.15 (#peak 4576) &rst ixpk= 4576, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 958, 959, 960, &end # # 34 ALA QB 35 GLU HN 4.51 (#peak 1256) &rst ixpk= 1256, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 526, 527, 528, &end # # 34 ALA QB 35 GLU HA 4.42 (#peak 5207) &rst ixpk= 5207, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 526, 527, 528, &end # # 34 ALA QB 35 GLU QB 6.06 (#peak 5206) &rst ixpk= 5206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 526, 527, 528, igr2= 536, 537, &end # # 34 ALA QB 36 SER HN 5.81 (#peak 2664) &rst ixpk= 2664, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr1= 526, 527, 528, &end # # 35 GLU HN 36 SER HN 4.25 (#peak 1255) &rst ixpk= 1255, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 35 GLU HN 36 SER QB 4.42 (#peak 2662) &rst ixpk= 2662, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 551, 552, &end # # 35 GLU HN 47 THR HB 6.02 (#peak 2332) &rst ixpk= 2332, nxpk= 0, iat= 532, 702, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end # # 35 GLU HA 39 GLU HB3 6.03 (#peak 5982) &rst ixpk= 5982, nxpk= 0, iat= 534, 588, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 35 GLU HA 39 GLU QG 4.28 (#peak 5983) &rst ixpk= 5983, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 590, 591, &end # # 35 GLU QB 36 SER HN 5.72 (#peak 1136) &rst ixpk= 1136, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 536, 537, &end # # 35 GLU QB 36 SER HA 5.30 (#peak 6256) &rst ixpk= 6256, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 536, 537, &end # # 35 GLU QB 43 GLY HA3 6.15 (#peak 5925) &rst ixpk= 5925, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 536, 537, &end # # 35 GLU QB 46 ILE QG2 3.83 (#peak 6294) &rst ixpk= 6294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 536, 537, igr2= 685, 686, 687, &end # # 35 GLU QB 47 THR QG2 5.03 (#peak 4590) &rst ixpk= 4590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr1= 536, 537, igr2= 704, 705, 706, &end # # 36 SER HN 37 ASN HN 4.05 (#peak 1145) &rst ixpk= 1145, nxpk= 0, iat= 547, 558, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 36 SER HN 47 THR QG2 5.99 (#peak 2313) &rst ixpk= 2313, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr2= 704, 705, 706, &end # # 36 SER HN 63 ILE QD1 6.15 (#peak 2663) &rst ixpk= 2663, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 958, 959, 960, &end # # 36 SER HA 47 THR QG2 4.13 (#peak 5942) &rst ixpk= 5942, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 704, 705, 706, &end # # 36 SER QB 37 ASN HN 6.08 (#peak 2096) &rst ixpk= 2096, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 551, 552, &end # # 36 SER QB 47 THR HB 5.34 (#peak 5209) &rst ixpk= 5209, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 551, 552, &end # # 37 ASN HN 37 ASN HB2 4.16 (#peak 2089) &rst ixpk= 2089, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 37 ASN HN 37 ASN HB3 3.95 (#peak 2095) &rst ixpk= 2095, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 37 ASN HN 47 THR QG2 6.15 (#peak 2597) &rst ixpk= 2597, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 704, 705, 706, &end # # 37 ASN HN 65 PHE QD 6.15 (#peak 2719) &rst ixpk= 2719, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 984, 992, &end # # 37 ASN HB2 38 SER HN 5.84 (#peak 1028) &rst ixpk= 1028, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 37 ASN HB3 38 SER HN 4.97 (#peak 1033) &rst ixpk= 1033, nxpk= 0, iat= 563, 572, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 38 SER HN 39 GLU HN 6.15 (#peak 1035) &rst ixpk= 1035, nxpk= 0, iat= 572, 583, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 38 SER HN 63 ILE QD1 5.83 (#peak 2720) &rst ixpk= 2720, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 958, 959, 960, &end # # 38 SER HN 65 PHE QD 5.90 (#peak 2718) &rst ixpk= 2718, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2= 984, 992, &end # # 38 SER HA 39 GLU QG 5.97 (#peak 6283) &rst ixpk= 6283, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr2= 590, 591, &end # # 38 SER QB 40 HIS HN 6.15 (#peak 2458) &rst ixpk= 2458, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 576, 577, &end # # 39 GLU HN 39 GLU QG 5.44 (#peak 2116) &rst ixpk= 2116, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2= 590, 591, &end # # 39 GLU HA 39 GLU QG 3.87 (#peak 3994) &rst ixpk= 3994, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 590, 591, &end # # 39 GLU HB2 39 GLU QG 2.68 (#peak 3306) &rst ixpk= 3306, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, igr2= 590, 591, &end # # 39 GLU HB3 40 HIS HB2 6.15 (#peak 5227) &rst ixpk= 5227, nxpk= 0, iat= 588, 602, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 39 GLU QG 40 HIS HA 6.08 (#peak 5231) &rst ixpk= 5231, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 590, 591, &end # # 40 HIS HA 41 PRO HB2 6.15 (#peak 6268) &rst ixpk= 6268, nxpk= 0, iat= 600, 622, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 40 HIS HB2 41 PRO HD2 6.03 (#peak 6506) &rst ixpk= 6506, nxpk= 0, iat= 602, 616, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 40 HIS HB2 41 PRO HD3 6.15 (#peak 5234) &rst ixpk= 5234, nxpk= 0, iat= 602, 617, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 40 HIS HB2 43 GLY HN 6.15 (#peak 2464) &rst ixpk= 2464, nxpk= 0, iat= 602, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 40 HIS HB3 41 PRO HD2 6.15 (#peak 6507) &rst ixpk= 6507, nxpk= 0, iat= 603, 616, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 40 HIS HB3 41 PRO HD3 6.03 (#peak 5233) &rst ixpk= 5233, nxpk= 0, iat= 603, 617, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 40 HIS HB3 43 GLY HN 6.15 (#peak 2463) &rst ixpk= 2463, nxpk= 0, iat= 603, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 41 PRO HA 42 LEU QD2 5.85 (#peak 6307) &rst ixpk= 6307, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 642, 643, 644, &end # # 41 PRO HA 44 THR QG2 5.45 (#peak 5980) &rst ixpk= 5980, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 661, 662, 663, &end # # 42 LEU HN 43 GLY HN 4.04 (#peak 1879) &rst ixpk= 1879, nxpk= 0, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 42 LEU HA 42 LEU QD1 4.83 (#peak 2468) &rst ixpk= 2468, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2= 638, 639, 640, &end # # 42 LEU HA 42 LEU QD2 4.42 (#peak 1509) &rst ixpk= 1509, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 642, 643, 644, &end # # 42 LEU HA 45 ALA HN 4.19 (#peak 684) &rst ixpk= 684, nxpk= 0, iat= 631, 669, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 42 LEU HA 45 ALA QB 4.73 (#peak 6509) &rst ixpk= 6509, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 673, 674, 675, &end # # 42 LEU HA 46 ILE HN 5.99 (#peak 2317) &rst ixpk= 2317, nxpk= 0, iat= 631, 679, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 42 LEU HB2 42 LEU QD1 3.74 (#peak 2472) &rst ixpk= 2472, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 638, 639, 640, &end # # 42 LEU HB2 42 LEU QD2 3.76 (#peak 3147) &rst ixpk= 3147, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 642, 643, 644, &end # # 42 LEU HB2 43 GLY HN 5.86 (#peak 1880) &rst ixpk= 1880, nxpk= 0, iat= 633, 648, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 42 LEU HB2 44 THR HN 6.05 (#peak 2652) &rst ixpk= 2652, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 42 LEU HB2 45 ALA QB 6.15 (#peak 5245) &rst ixpk= 5245, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 673, 674, 675, &end # # 42 LEU HB3 42 LEU QD1 3.33 (#peak 2466) &rst ixpk= 2466, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 638, 639, 640, &end # # 42 LEU HB3 42 LEU QD2 4.02 (#peak 1863) &rst ixpk= 1863, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 642, 643, 644, &end # # 42 LEU HB3 43 GLY HN 6.15 (#peak 1878) &rst ixpk= 1878, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 42 LEU HB3 46 ILE HN 6.15 (#peak 2467) &rst ixpk= 2467, nxpk= 0, iat= 634, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 42 LEU HB3 46 ILE QD1 4.71 (#peak 5551) &rst ixpk= 5551, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 692, 693, 694, &end # # 42 LEU QD1 46 ILE QD1 4.37 (#peak 5553) &rst ixpk= 5553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 638, 639, 640, igr2= 692, 693, 694, &end # # 42 LEU QD2 43 GLY HN 4.74 (#peak 1881) &rst ixpk= 1881, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 642, 643, 644, &end # # 43 GLY HN 44 THR HN 3.95 (#peak 1596) &rst ixpk= 1596, nxpk= 0, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 43 GLY HN 45 ALA HN 5.04 (#peak 1884) &rst ixpk= 1884, nxpk= 0, iat= 648, 669, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 43 GLY HN 46 ILE HN 6.15 (#peak 2229) &rst ixpk= 2229, nxpk= 0, iat= 648, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 43 GLY HA2 45 ALA HN 4.92 (#peak 682) &rst ixpk= 682, nxpk= 0, iat= 650, 669, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 43 GLY HA2 46 ILE HB 6.12 (#peak 3423) &rst ixpk= 3423, nxpk= 0, iat= 650, 683, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 43 GLY HA2 46 ILE QD1 5.47 (#peak 6207) &rst ixpk= 6207, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2= 692, 693, 694, &end # # 43 GLY HA2 46 ILE QG2 6.15 (#peak 4495) &rst ixpk= 4495, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 685, 686, 687, &end # # 43 GLY HA2 47 THR HN 5.99 (#peak 1286) &rst ixpk= 1286, nxpk= 0, iat= 650, 698, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 43 GLY HA3 45 ALA HN 5.22 (#peak 679) &rst ixpk= 679, nxpk= 0, iat= 651, 669, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 43 GLY HA3 46 ILE QD1 5.02 (#peak 4493) &rst ixpk= 4493, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 692, 693, 694, &end # # 43 GLY HA3 46 ILE QG2 6.15 (#peak 4609) &rst ixpk= 4609, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 685, 686, 687, &end # # 43 GLY HA3 47 THR HN 6.15 (#peak 1282) &rst ixpk= 1282, nxpk= 0, iat= 651, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 44 THR HN 44 THR HB 4.07 (#peak 1593) &rst ixpk= 1593, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 44 THR HN 44 THR QG2 4.46 (#peak 1595) &rst ixpk= 1595, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2= 661, 662, 663, &end # # 44 THR HN 45 ALA HN 4.01 (#peak 1590) &rst ixpk= 1590, nxpk= 0, iat= 655, 669, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 44 THR HN 45 ALA QB 5.91 (#peak 2686) &rst ixpk= 2686, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr2= 673, 674, 675, &end # # 44 THR HN 46 ILE HN 4.54 (#peak 1589) &rst ixpk= 1589, nxpk= 0, iat= 655, 679, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 44 THR HA 44 THR QG2 3.38 (#peak 4391) &rst ixpk= 4391, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 661, 662, 663, &end # # 44 THR HA 46 ILE HN 6.15 (#peak 650) &rst ixpk= 650, nxpk= 0, iat= 657, 679, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 44 THR HB 48 LYS HG3 5.33 (#peak 5984) &rst ixpk= 5984, nxpk= 0, iat= 659, 720, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 44 THR QG2 45 ALA HN 4.97 (#peak 688) &rst ixpk= 688, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 661, 662, 663, &end # # 45 ALA HN 45 ALA QB 3.43 (#peak 683) &rst ixpk= 683, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 673, 674, 675, &end # # 45 ALA HN 46 ILE HN 4.46 (#peak 2695) &rst ixpk= 2695, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 45 ALA HN 47 THR HN 4.95 (#peak 686) &rst ixpk= 686, nxpk= 0, iat= 669, 698, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 45 ALA HA 46 ILE HA 6.15 (#peak 6208) &rst ixpk= 6208, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 45 ALA HA 48 LYS HG3 4.87 (#peak 5916) &rst ixpk= 5916, nxpk= 0, iat= 671, 720, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 45 ALA HA 48 LYS QB 3.94 (#peak 1840) &rst ixpk= 1840, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 716, 717, &end # # 45 ALA QB 46 ILE HN 5.80 (#peak 656) &rst ixpk= 656, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 673, 674, 675, &end # # 45 ALA QB 47 THR HN 5.84 (#peak 2685) &rst ixpk= 2685, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 673, 674, 675, &end # # 46 ILE HN 46 ILE HG12 6.06 (#peak 653) &rst ixpk= 653, nxpk= 0, iat= 679, 689, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 46 ILE HN 46 ILE HG13 5.78 (#peak 662) &rst ixpk= 662, nxpk= 0, iat= 679, 690, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 46 ILE HN 46 ILE QD1 6.15 (#peak 660) &rst ixpk= 660, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 692, 693, 694, &end # # 46 ILE HN 46 ILE QG2 5.98 (#peak 657) &rst ixpk= 657, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2= 685, 686, 687, &end # # 46 ILE HN 47 THR HN 3.71 (#peak 1283) &rst ixpk= 1283, nxpk= 0, iat= 679, 698, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 46 ILE HN 48 LYS HN 4.50 (#peak 189) &rst ixpk= 189, nxpk= 0, iat= 679, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 ILE HA 46 ILE QD1 4.47 (#peak 1590) &rst ixpk= 1590, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 692, 693, 694, &end # # 46 ILE HA 49 TYR QB 6.15 (#peak 4499) &rst ixpk= 4499, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 738, 739, &end # # 46 ILE HA 49 TYR QD 5.42 (#peak 9198) &rst ixpk= 9198, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2= 742, 751, &end # # 46 ILE HA 49 TYR QE 6.15 (#peak 9199) &rst ixpk= 9199, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 744, 749, &end # # 46 ILE HB 46 ILE QD1 3.88 (#peak 3955) &rst ixpk= 3955, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 692, 693, 694, &end # # 46 ILE HB 47 THR HN 4.42 (#peak 1295) &rst ixpk= 1295, nxpk= 0, iat= 683, 698, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 46 ILE HG12 47 THR HN 5.35 (#peak 1284) &rst ixpk= 1284, nxpk= 0, iat= 689, 698, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 46 ILE HG13 47 THR HN 5.11 (#peak 1293) &rst ixpk= 1293, nxpk= 0, iat= 690, 698, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 46 ILE QD1 47 THR HN 4.55 (#peak 1291) &rst ixpk= 1291, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 692, 693, 694, &end # # 46 ILE QG2 46 ILE HG13 3.61 (#peak 3100) &rst ixpk= 3100, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 685, 686, 687, &end # # 46 ILE QG2 46 ILE QD1 3.08 (#peak 3101) &rst ixpk= 3101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 685, 686, 687, igr2= 692, 693, 694, &end # # 46 ILE QG2 47 THR HN 4.38 (#peak 1287) &rst ixpk= 1287, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 685, 686, 687, &end # # 46 ILE QG2 48 LYS HN 6.10 (#peak 2594) &rst ixpk= 2594, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 685, 686, 687, &end # # 46 ILE QG2 49 TYR HN 6.15 (#peak 2595) &rst ixpk= 2595, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 685, 686, 687, &end # # 46 ILE QG2 49 TYR QB 4.86 (#peak 6214) &rst ixpk= 6214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 685, 686, 687, igr2= 738, 739, &end # # 47 THR HN 43 GLY O 2.4 &rst ixpk= 6214, nxpk= 0, iat= 698, 653, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 47 THR HN 47 THR HB 3.77 (#peak 1280) &rst ixpk= 1280, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 47 THR HN 47 THR QG2 4.04 (#peak 1288) &rst ixpk= 1288, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 704, 705, 706, &end # # 47 THR HN 48 LYS HN 4.17 (#peak 194) &rst ixpk= 194, nxpk= 0, iat= 698, 712, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 47 THR HN 49 TYR HN 5.24 (#peak 1296) &rst ixpk= 1296, nxpk= 0, iat= 698, 734, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 47 THR HA 49 TYR HN 5.87 (#peak 1611) &rst ixpk= 1611, nxpk= 0, iat= 700, 734, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 47 THR HA 50 CYS HN 4.19 (#peak 930) &rst ixpk= 930, nxpk= 0, iat= 700, 755, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 47 THR HA 50 CYS HB2 6.03 (#peak 4500) &rst ixpk= 4500, nxpk= 0, iat= 700, 759, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 47 THR HA 50 CYS HB3 6.15 (#peak 4501) &rst ixpk= 4501, nxpk= 0, iat= 700, 760, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 47 THR HA 51 LYS HN 5.70 (#peak 1358) &rst ixpk= 1358, nxpk= 0, iat= 700, 766, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 47 THR HA 59 LEU QD1 5.56 (#peak 6420) &rst ixpk= 6420, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr2= 903, 904, 905, &end # # 47 THR HB 48 LYS HN 4.31 (#peak 186) &rst ixpk= 186, nxpk= 0, iat= 702, 712, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 47 THR HB 59 LEU QD1 5.58 (#peak 5943) &rst ixpk= 5943, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr2= 903, 904, 905, &end # # 47 THR N 43 GLY O 3.3 &rst ixpk= 5943, nxpk= 0, iat= 697, 653, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 47 THR QG2 48 LYS HN 4.24 (#peak 191) &rst ixpk= 191, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 704, 705, 706, &end # # 48 LYS HN 44 THR O 2.4 &rst ixpk= 191, nxpk= 0, iat= 712, 667, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 48 LYS HN 48 LYS HG2 5.71 (#peak 195) &rst ixpk= 195, nxpk= 0, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 48 LYS HN 48 LYS HG3 6.15 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= 712, 720, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 48 LYS HN 48 LYS QB 3.29 (#peak 184) &rst ixpk= 184, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 716, 717, &end # # 48 LYS HN 49 TYR HN 4.13 (#peak 1607) &rst ixpk= 1607, nxpk= 0, iat= 712, 734, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 48 LYS HN 49 TYR QB 5.14 (#peak 2687) &rst ixpk= 2687, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2= 738, 739, &end # # 48 LYS HN 50 CYS HN 5.08 (#peak 190) &rst ixpk= 190, nxpk= 0, iat= 712, 755, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 48 LYS HA 51 LYS QB 6.04 (#peak 1139) &rst ixpk= 1139, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr2= 770, 771, &end # # 48 LYS HA 52 GLN HB2 6.15 (#peak 6213) &rst ixpk= 6213, nxpk= 0, iat= 714, 792, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 48 LYS HG2 49 TYR HN 6.15 (#peak 1616) &rst ixpk= 1616, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 48 LYS HG2 52 GLN HB2 6.15 (#peak 5267) &rst ixpk= 5267, nxpk= 0, iat= 719, 792, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 48 LYS HG3 49 TYR HN 6.15 (#peak 1619) &rst ixpk= 1619, nxpk= 0, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 48 LYS N 44 THR O 3.3 &rst ixpk= 1619, nxpk= 0, iat= 711, 667, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 48 LYS QB 49 TYR HN 3.95 (#peak 1606) &rst ixpk= 1606, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 716, 717, &end # # 49 TYR HN 45 ALA O 2.4 &rst ixpk= 1606, nxpk= 0, iat= 734, 677, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 49 TYR HN 49 TYR QB 3.36 (#peak 1620) &rst ixpk= 1620, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 738, 739, &end # # 49 TYR HN 49 TYR QD 4.32 (#peak 1615) &rst ixpk= 1615, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 742, 751, &end # # 49 TYR HN 50 CYS HN 3.83 (#peak 1610) &rst ixpk= 1610, nxpk= 0, iat= 734, 755, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 49 TYR HA 49 TYR QD 5.35 (#peak 536) &rst ixpk= 536, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2= 742, 751, &end # # 49 TYR HA 51 LYS HN 6.15 (#peak 1351) &rst ixpk= 1351, nxpk= 0, iat= 736, 766, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 49 TYR HA 52 GLN HN 6.15 (#peak 1327) &rst ixpk= 1327, nxpk= 0, iat= 736, 788, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 49 TYR HA 52 GLN HB2 4.95 (#peak 2380) &rst ixpk= 2380, nxpk= 0, iat= 736, 792, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 49 TYR HA 52 GLN HB3 4.16 (#peak 2363) &rst ixpk= 2363, nxpk= 0, iat= 736, 793, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 49 TYR HA 53 GLU HN 5.89 (#peak 1633) &rst ixpk= 1633, nxpk= 0, iat= 736, 805, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 49 TYR N 45 ALA O 3.3 &rst ixpk= 1633, nxpk= 0, iat= 733, 677, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 49 TYR QB 50 CYS HN 4.09 (#peak 936) &rst ixpk= 936, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 738, 739, &end # # 49 TYR QB 50 CYS HA 5.50 (#peak 6261) &rst ixpk= 6261, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 738, 739, &end # # 49 TYR QB 50 CYS HB3 6.15 (#peak 5527) &rst ixpk= 5527, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 738, 739, &end # # 49 TYR QB 52 GLN HB3 6.15 (#peak 5928) &rst ixpk= 5928, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 738, 739, &end # # 49 TYR QD 50 CYS HN 6.15 (#peak 933) &rst ixpk= 933, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 742, 751, &end # # 49 TYR QD 50 CYS HA 6.15 (#peak 6435) &rst ixpk= 6435, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 742, 751, &end # # 49 TYR QE 50 CYS HA 6.15 (#peak 6436) &rst ixpk= 6436, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 744, 749, &end # # 50 CYS HN 50 CYS HB2 3.71 (#peak 937) &rst ixpk= 937, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 50 CYS HN 51 LYS HN 3.18 (#peak 932) &rst ixpk= 932, nxpk= 0, iat= 755, 766, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 50 CYS HA 53 GLU HB2 5.22 (#peak 2135) &rst ixpk= 2135, nxpk= 0, iat= 757, 809, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 50 CYS HA 53 GLU HG2 5.30 (#peak 5927) &rst ixpk= 5927, nxpk= 0, iat= 757, 812, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 50 CYS HA 54 LEU HG 6.15 (#peak 5528) &rst ixpk= 5528, nxpk= 0, iat= 757, 827, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 50 CYS HA 54 LEU QD2 4.68 (#peak 6260) &rst ixpk= 6260, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 833, 834, 835, &end # # 50 CYS HB2 51 LYS HN 4.79 (#peak 1363) &rst ixpk= 1363, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 50 CYS HB2 54 LEU QD2 5.90 (#peak 5296) &rst ixpk= 5296, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2= 833, 834, 835, &end # # 50 CYS HB3 51 LYS HN 4.93 (#peak 1355) &rst ixpk= 1355, nxpk= 0, iat= 760, 766, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 50 CYS HB3 54 LEU QD2 5.50 (#peak 5295) &rst ixpk= 5295, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 833, 834, 835, &end # # 51 LYS HN 51 LYS QB 3.78 (#peak 1352) &rst ixpk= 1352, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 770, 771, &end # # 51 LYS HN 51 LYS QD 5.97 (#peak 1357) &rst ixpk= 1357, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr2= 776, 777, &end # # 51 LYS HN 51 LYS QG 4.15 (#peak 1349) &rst ixpk= 1349, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 773, 774, &end # # 51 LYS HN 52 GLN HN 6.06 (#peak 1359) &rst ixpk= 1359, nxpk= 0, iat= 766, 788, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 51 LYS HN 53 GLU HN 4.77 (#peak 1643) &rst ixpk= 1643, nxpk= 0, iat= 766, 805, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 51 LYS HN 59 LEU QD1 4.97 (#peak 2593) &rst ixpk= 2593, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2= 903, 904, 905, &end # # 51 LYS HA 51 LYS QD 4.73 (#peak 2009) &rst ixpk= 2009, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 776, 777, &end # # 51 LYS HA 51 LYS QG 3.93 (#peak 2004) &rst ixpk= 2004, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 773, 774, &end # # 51 LYS HA 52 GLN HA 6.15 (#peak 6219) &rst ixpk= 6219, nxpk= 0, iat= 768, 790, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 51 LYS HA 54 LEU QD1 4.71 (#peak 6402) &rst ixpk= 6402, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 829, 830, 831, &end # # 51 LYS HA 54 LEU QD2 4.32 (#peak 6401) &rst ixpk= 6401, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 833, 834, 835, &end # # 51 LYS HA 56 THR HN 6.15 (#peak 2491) &rst ixpk= 2491, nxpk= 0, iat= 768, 851, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 51 LYS HA 59 LEU QD1 4.75 (#peak 5940) &rst ixpk= 5940, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 903, 904, 905, &end # # 51 LYS QB 51 LYS QD 3.66 (#peak 1138) &rst ixpk= 1138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1= 770, 771, igr2= 776, 777, &end # # 51 LYS QB 54 LEU HN 5.91 (#peak 2489) &rst ixpk= 2489, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 770, 771, &end # # 51 LYS QB 55 ASP HN 6.15 (#peak 2543) &rst ixpk= 2543, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 770, 771, &end # # 51 LYS QB 56 THR HN 5.98 (#peak 2490) &rst ixpk= 2490, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 770, 771, &end # # 51 LYS QB 57 GLU HA 5.38 (#peak 5464) &rst ixpk= 5464, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 770, 771, &end # # 51 LYS QB 59 LEU HG 6.11 (#peak 6215) &rst ixpk= 6215, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1= 770, 771, &end # # 51 LYS QB 59 LEU QD1 4.01 (#peak 6399) &rst ixpk= 6399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 770, 771, igr2= 903, 904, 905, &end # # 51 LYS QD 52 GLN HN 5.88 (#peak 1335) &rst ixpk= 1335, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1= 776, 777, &end # # 51 LYS QD 52 GLN HG2 5.39 (#peak 6216) &rst ixpk= 6216, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 776, 777, &end # # 51 LYS QD 52 GLN HG3 5.74 (#peak 6217) &rst ixpk= 6217, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 776, 777, &end # # 51 LYS QD 56 THR HB 5.53 (#peak 6323) &rst ixpk= 6323, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1= 776, 777, &end # # 51 LYS QD 56 THR QG2 4.58 (#peak 6322) &rst ixpk= 6322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 776, 777, igr2= 857, 858, 859, &end # # 51 LYS QD 57 GLU HA 5.20 (#peak 5461) &rst ixpk= 5461, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 776, 777, &end # # 51 LYS QG 52 GLN HN 6.15 (#peak 1325) &rst ixpk= 1325, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 773, 774, &end # # 51 LYS QG 54 LEU QB 5.45 (#peak 5301) &rst ixpk= 5301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 773, 774, igr2= 824, 825, &end # # 51 LYS QG 55 ASP HN 6.15 (#peak 2544) &rst ixpk= 2544, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 773, 774, &end # # 52 GLN HN 52 GLN HG2 5.76 (#peak 1332) &rst ixpk= 1332, nxpk= 0, iat= 788, 795, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 52 GLN HN 52 GLN HG3 5.99 (#peak 1339) &rst ixpk= 1339, nxpk= 0, iat= 788, 796, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 52 GLN HN 53 GLU HN 3.81 (#peak 1338) &rst ixpk= 1338, nxpk= 0, iat= 788, 805, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 52 GLN HA 52 GLN HG3 4.03 (#peak 4365) &rst ixpk= 4365, nxpk= 0, iat= 790, 796, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 52 GLN HA 53 GLU HA 6.15 (#peak 6220) &rst ixpk= 6220, nxpk= 0, iat= 790, 807, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 52 GLN HB2 52 GLN HG2 2.86 (#peak 1817) &rst ixpk= 1817, nxpk= 0, iat= 792, 795, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 52 GLN HB2 52 GLN HG3 2.99 (#peak 4363) &rst ixpk= 4363, nxpk= 0, iat= 792, 796, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 52 GLN HB2 53 GLU HN 5.77 (#peak 1648) &rst ixpk= 1648, nxpk= 0, iat= 792, 805, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 52 GLN HB2 53 GLU HA 6.15 (#peak 5273) &rst ixpk= 5273, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 52 GLN HB3 53 GLU HN 5.73 (#peak 1634) &rst ixpk= 1634, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 52 GLN HB3 53 GLU HA 5.81 (#peak 5274) &rst ixpk= 5274, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 52 GLN HG2 53 GLU HN 5.88 (#peak 1637) &rst ixpk= 1637, nxpk= 0, iat= 795, 805, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 52 GLN HG3 53 GLU HN 5.99 (#peak 1647) &rst ixpk= 1647, nxpk= 0, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 53 GLU HN 49 TYR O 2.4 &rst ixpk= 1647, nxpk= 0, iat= 805, 753, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 53 GLU HN 53 GLU HG2 6.15 (#peak 1638) &rst ixpk= 1638, nxpk= 0, iat= 805, 812, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 53 GLU HN 53 GLU HG3 5.91 (#peak 1644) &rst ixpk= 1644, nxpk= 0, iat= 805, 813, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 53 GLU HN 54 LEU HN 4.23 (#peak 2044) &rst ixpk= 2044, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 53 GLU HN 55 ASP HN 4.86 (#peak 1645) &rst ixpk= 1645, nxpk= 0, iat= 805, 839, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 53 GLU HA 54 LEU QD2 5.75 (#peak 5926) &rst ixpk= 5926, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2= 833, 834, 835, &end # # 53 GLU HA 55 ASP HN 5.01 (#peak 1444) &rst ixpk= 1444, nxpk= 0, iat= 807, 839, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 53 GLU HA 55 ASP HA 6.15 (#peak 6223) &rst ixpk= 6223, nxpk= 0, iat= 807, 841, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 53 GLU HB2 54 LEU HN 5.17 (#peak 2037) &rst ixpk= 2037, nxpk= 0, iat= 809, 820, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 53 GLU HG2 54 LEU HN 6.15 (#peak 2036) &rst ixpk= 2036, nxpk= 0, iat= 812, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 53 GLU HG2 54 LEU QD2 5.76 (#peak 6036) &rst ixpk= 6036, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr2= 833, 834, 835, &end # # 53 GLU HG3 54 LEU HN 6.15 (#peak 2042) &rst ixpk= 2042, nxpk= 0, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 53 GLU HG3 54 LEU QD2 5.74 (#peak 6037) &rst ixpk= 6037, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2= 833, 834, 835, &end # # 53 GLU N 49 TYR O 3.3 &rst ixpk= 6037, nxpk= 0, iat= 804, 753, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 54 LEU HN 50 CYS O 2.4 &rst ixpk= 6037, nxpk= 0, iat= 820, 764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 54 LEU HN 54 LEU HG 4.22 (#peak 2032) &rst ixpk= 2032, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 54 LEU HN 54 LEU QB 4.04 (#peak 2046) &rst ixpk= 2046, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 824, 825, &end # # 54 LEU HN 54 LEU QD1 4.89 (#peak 2031) &rst ixpk= 2031, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 829, 830, 831, &end # # 54 LEU HN 54 LEU QD2 5.00 (#peak 2048) &rst ixpk= 2048, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 833, 834, 835, &end # # 54 LEU HN 55 ASP HN 4.06 (#peak 2043) &rst ixpk= 2043, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 54 LEU HN 56 THR HN 5.94 (#peak 2369) &rst ixpk= 2369, nxpk= 0, iat= 820, 851, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 54 LEU HN 56 THR QG2 5.52 (#peak 2690) &rst ixpk= 2690, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2= 857, 858, 859, &end # # 54 LEU HA 54 LEU HG 4.17 (#peak 1983) &rst ixpk= 1983, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 54 LEU HA 54 LEU QD1 4.35 (#peak 3153) &rst ixpk= 3153, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 829, 830, 831, &end # # 54 LEU HA 54 LEU QD2 4.35 (#peak 1989) &rst ixpk= 1989, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 833, 834, 835, &end # # 54 LEU HA 56 THR HN 6.05 (#peak 1667) &rst ixpk= 1667, nxpk= 0, iat= 822, 851, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 54 LEU HG 55 ASP HN 4.70 (#peak 1442) &rst ixpk= 1442, nxpk= 0, iat= 827, 839, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 54 LEU N 50 CYS O 3.3 &rst ixpk= 1442, nxpk= 0, iat= 819, 764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 54 LEU QB 54 LEU QD1 3.41 (#peak 3151) &rst ixpk= 3151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 824, 825, igr2= 829, 830, 831, &end # # 54 LEU QB 54 LEU QD2 3.16 (#peak 3629) &rst ixpk= 3629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 824, 825, igr2= 833, 834, 835, &end # # 54 LEU QB 55 ASP HN 4.32 (#peak 1452) &rst ixpk= 1452, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 824, 825, &end # # 54 LEU QB 56 THR HN 5.32 (#peak 2665) &rst ixpk= 2665, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 824, 825, &end # # 54 LEU QB 56 THR HA 5.96 (#peak 5311) &rst ixpk= 5311, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 824, 825, &end # # 54 LEU QD1 55 ASP HN 5.51 (#peak 1441) &rst ixpk= 1441, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 829, 830, 831, &end # # 54 LEU QD1 56 THR HN 5.89 (#peak 2777) &rst ixpk= 2777, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 829, 830, 831, &end # # 54 LEU QD1 56 THR HB 6.15 (#peak 6165) &rst ixpk= 6165, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 829, 830, 831, &end # # 54 LEU QD1 56 THR QG2 4.28 (#peak 5904) &rst ixpk= 5904, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 829, 830, 831, igr2= 857, 858, 859, &end # # 54 LEU QD2 55 ASP HN 5.72 (#peak 2776) &rst ixpk= 2776, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 833, 834, 835, &end # # 54 LEU QD2 56 THR HN 5.01 (#peak 2688) &rst ixpk= 2688, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 833, 834, 835, &end # # 54 LEU QD2 56 THR HB 5.91 (#peak 5610) &rst ixpk= 5610, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr1= 833, 834, 835, &end # # 54 LEU QD2 56 THR QG2 4.20 (#peak 6228) &rst ixpk= 6228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 833, 834, 835, igr2= 857, 858, 859, &end # # 55 ASP HN 55 ASP HA 2.90 (#peak 1451) &rst ixpk= 1451, nxpk= 0, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 55 ASP HN 56 THR HN 4.14 (#peak 1450) &rst ixpk= 1450, nxpk= 0, iat= 839, 851, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 55 ASP HB2 56 THR HN 5.78 (#peak 1675) &rst ixpk= 1675, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 55 ASP HB3 56 THR HN 6.15 (#peak 1670) &rst ixpk= 1670, nxpk= 0, iat= 844, 851, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 56 THR HN 56 THR QG2 6.10 (#peak 1665) &rst ixpk= 1665, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2= 857, 858, 859, &end # # 56 THR HN 57 GLU HN 5.75 (#peak 1663) &rst ixpk= 1663, nxpk= 0, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 56 THR HA 57 GLU QB 5.93 (#peak 5607) &rst ixpk= 5607, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr2= 869, 870, &end # # 56 THR HA 58 THR HN 6.15 (#peak 1400) &rst ixpk= 1400, nxpk= 0, iat= 853, 880, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 56 THR HA 58 THR QG2 4.28 (#peak 6167) &rst ixpk= 6167, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 886, 887, 888, &end # # 56 THR HB 57 GLU HN 5.78 (#peak 530) &rst ixpk= 530, nxpk= 0, iat= 855, 865, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 56 THR HB 58 THR HN 6.15 (#peak 2472) &rst ixpk= 2472, nxpk= 0, iat= 855, 880, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 56 THR QG2 57 GLU HN 5.63 (#peak 524) &rst ixpk= 524, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 857, 858, 859, &end # # 56 THR QG2 57 GLU HA 5.98 (#peak 5314) &rst ixpk= 5314, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1= 857, 858, 859, &end # # 56 THR QG2 57 GLU HG2 6.03 (#peak 5466) &rst ixpk= 5466, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1= 857, 858, 859, &end # # 56 THR QG2 58 THR HN 5.76 (#peak 2471) &rst ixpk= 2471, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 857, 858, 859, &end # # 56 THR QG2 58 THR QG2 4.84 (#peak 6445) &rst ixpk= 6445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr1= 857, 858, 859, igr2= 886, 887, 888, &end # # 57 GLU HN 57 GLU HG2 5.78 (#peak 525) &rst ixpk= 525, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 57 GLU HN 57 GLU HG3 5.77 (#peak 527) &rst ixpk= 527, nxpk= 0, iat= 865, 873, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 57 GLU HN 58 THR HN 5.72 (#peak 528) &rst ixpk= 528, nxpk= 0, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 57 GLU HG2 58 THR HN 4.20 (#peak 1391) &rst ixpk= 1391, nxpk= 0, iat= 872, 880, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 57 GLU HG3 58 THR HN 4.20 (#peak 1394) &rst ixpk= 1394, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 57 GLU HG3 58 THR QG2 5.37 (#peak 5606) &rst ixpk= 5606, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2= 886, 887, 888, &end # # 57 GLU QB 58 THR HN 5.96 (#peak 1399) &rst ixpk= 1399, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 869, 870, &end # # 57 GLU QB 58 THR QG2 6.15 (#peak 5605) &rst ixpk= 5605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr1= 869, 870, igr2= 886, 887, 888, &end # # 58 THR HN 58 THR QG2 6.11 (#peak 1392) &rst ixpk= 1392, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr2= 886, 887, 888, &end # # 58 THR HN 59 LEU HN 5.64 (#peak 1999) &rst ixpk= 1999, nxpk= 0, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 58 THR HN 59 LEU QD1 5.47 (#peak 2691) &rst ixpk= 2691, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2= 903, 904, 905, &end # # 58 THR HA 58 THR QG2 3.38 (#peak 2789) &rst ixpk= 2789, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 886, 887, 888, &end # # 58 THR HA 59 LEU HG 5.86 (#peak 6101) &rst ixpk= 6101, nxpk= 0, iat= 882, 901, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 58 THR HA 59 LEU QD1 6.15 (#peak 5327) &rst ixpk= 5327, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 903, 904, 905, &end # # 58 THR HB 59 LEU HN 6.15 (#peak 1995) &rst ixpk= 1995, nxpk= 0, iat= 884, 894, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 58 THR QG2 59 LEU HA 5.87 (#peak 5534) &rst ixpk= 5534, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 886, 887, 888, &end # # 59 LEU HN 59 LEU HG 6.15 (#peak 2003) &rst ixpk= 2003, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 59 LEU HN 59 LEU QD1 5.83 (#peak 2001) &rst ixpk= 2001, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 903, 904, 905, &end # # 59 LEU HN 59 LEU QD2 6.00 (#peak 1992) &rst ixpk= 1992, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 907, 908, 909, &end # # 59 LEU HN 60 GLY HN 5.15 (#peak 1996) &rst ixpk= 1996, nxpk= 0, iat= 894, 913, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 59 LEU HA 59 LEU QD1 4.06 (#peak 4298) &rst ixpk= 4298, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 903, 904, 905, &end # # 59 LEU HA 59 LEU QD2 4.01 (#peak 4299) &rst ixpk= 4299, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 907, 908, 909, &end # # 59 LEU HB2 59 LEU QD2 3.63 (#peak 933) &rst ixpk= 933, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 907, 908, 909, &end # # 59 LEU HB2 60 GLY HN 5.92 (#peak 853) &rst ixpk= 853, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 59 LEU HB3 59 LEU QD2 3.73 (#peak 935) &rst ixpk= 935, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 907, 908, 909, &end # # 59 LEU HB3 60 GLY HN 6.15 (#peak 852) &rst ixpk= 852, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 59 LEU HG 60 GLY HN 6.00 (#peak 860) &rst ixpk= 860, nxpk= 0, iat= 901, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 59 LEU QD1 60 GLY HN 6.15 (#peak 858) &rst ixpk= 858, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 903, 904, 905, &end # # 59 LEU QD2 60 GLY HN 4.27 (#peak 2672) &rst ixpk= 2672, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 907, 908, 909, &end # # 60 GLY HN 61 THR HN 4.87 (#peak 850) &rst ixpk= 850, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 61 THR HN 61 THR QG2 5.83 (#peak 164) &rst ixpk= 164, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 926, 927, 928, &end # # 61 THR HN 62 CYS HN 5.94 (#peak 162) &rst ixpk= 162, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 61 THR HN 78 THR HN 6.15 (#peak 2279) &rst ixpk= 2279, nxpk= 0, iat= 920,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 61 THR HN 79 ASN HB2 5.41 (#peak 2775) &rst ixpk= 2775, nxpk= 0, iat= 920,1181, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 61 THR HN 79 ASN HB3 6.12 (#peak 2360) &rst ixpk= 2360, nxpk= 0, iat= 920,1182, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 61 THR HA 61 THR QG2 3.93 (#peak 3216) &rst ixpk= 3216, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 926, 927, 928, &end # # 61 THR HA 62 CYS HN 3.51 (#peak 103) &rst ixpk= 103, nxpk= 0, iat= 922, 934, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 61 THR HA 78 THR HN 5.85 (#peak 2350) &rst ixpk= 2350, nxpk= 0, iat= 922,1163, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end # # 61 THR HA 78 THR QG2 5.46 (#peak 6325) &rst ixpk= 6325, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=1169,1170,1171, &end # # 61 THR HB 62 CYS HN 4.36 (#peak 100) &rst ixpk= 100, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 61 THR HB 78 THR HN 4.74 (#peak 2536) &rst ixpk= 2536, nxpk= 0, iat= 924,1163, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 61 THR HB 78 THR QG2 4.34 (#peak 6153) &rst ixpk= 6153, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1169,1170,1171, &end # # 61 THR HB 79 ASN HB2 5.58 (#peak 4852) &rst ixpk= 4852, nxpk= 0, iat= 924,1181, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end # # 61 THR HB 79 ASN HB3 4.96 (#peak 4853) &rst ixpk= 4853, nxpk= 0, iat= 924,1182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 62 CYS HN 62 CYS HB2 4.03 (#peak 104) &rst ixpk= 104, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 62 CYS HN 62 CYS HB3 3.97 (#peak 102) &rst ixpk= 102, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 62 CYS HN 63 ILE HN 4.87 (#peak 82) &rst ixpk= 82, nxpk= 0, iat= 934, 945, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 62 CYS HN 78 THR HN 4.13 (#peak 2606) &rst ixpk= 2606, nxpk= 0, iat= 934,1163, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 62 CYS HA 77 VAL HA 6.15 (#peak 5987) &rst ixpk= 5987, nxpk= 0, iat= 936,1149, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 62 CYS HB2 63 ILE HN 5.10 (#peak 92) &rst ixpk= 92, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 62 CYS HB2 78 THR HN 5.61 (#peak 2366) &rst ixpk= 2366, nxpk= 0, iat= 938,1163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 62 CYS HB3 63 ILE HN 5.17 (#peak 87) &rst ixpk= 87, nxpk= 0, iat= 939, 945, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 62 CYS HB3 78 THR QG2 4.42 (#peak 6409) &rst ixpk= 6409, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1169,1170,1171, &end # # 63 ILE HN 63 ILE HG12 6.15 (#peak 93) &rst ixpk= 93, nxpk= 0, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 63 ILE HN 63 ILE HG13 5.28 (#peak 84) &rst ixpk= 84, nxpk= 0, iat= 945, 956, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 63 ILE HN 63 ILE QD1 5.29 (#peak 85) &rst ixpk= 85, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 958, 959, 960, &end # # 63 ILE HN 63 ILE QG2 4.27 (#peak 88) &rst ixpk= 88, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 951, 952, 953, &end # # 63 ILE HN 64 ASP HN 6.15 (#peak 1800) &rst ixpk= 1800, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 63 ILE HN 76 LYS HN 5.99 (#peak 2610) &rst ixpk= 2610, nxpk= 0, iat= 945,1125, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 63 ILE HN 77 VAL HA 5.99 (#peak 89) &rst ixpk= 89, nxpk= 0, iat= 945,1149, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 63 ILE HA 63 ILE QD1 4.52 (#peak 3722) &rst ixpk= 3722, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 958, 959, 960, &end # # 63 ILE HA 63 ILE QG2 3.85 (#peak 3723) &rst ixpk= 3723, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 951, 952, 953, &end # # 63 ILE HB 63 ILE QD1 3.76 (#peak 442) &rst ixpk= 442, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 958, 959, 960, &end # # 63 ILE HG12 64 ASP HN 5.97 (#peak 1811) &rst ixpk= 1811, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 63 ILE HG13 64 ASP HN 6.15 (#peak 1803) &rst ixpk= 1803, nxpk= 0, iat= 956, 964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 63 ILE QD1 64 ASP HN 5.95 (#peak 1804) &rst ixpk= 1804, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1= 958, 959, 960, &end # # 63 ILE QD1 65 PHE HA 5.21 (#peak 6290) &rst ixpk= 6290, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 958, 959, 960, &end # # 63 ILE QD1 77 VAL HB 5.41 (#peak 6337) &rst ixpk= 6337, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 958, 959, 960, &end # # 63 ILE QD1 77 VAL QG2 6.15 (#peak 4845) &rst ixpk= 4845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37, igr1= 958, 959, 960, igr2=1157,1158,1159, &end # # 63 ILE QG2 63 ILE HG12 3.68 (#peak 3549) &rst ixpk= 3549, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 951, 952, 953, &end # # 63 ILE QG2 63 ILE HG13 4.14 (#peak 1708) &rst ixpk= 1708, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 951, 952, 953, &end # # 63 ILE QG2 63 ILE QD1 3.73 (#peak 436) &rst ixpk= 436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 951, 952, 953, igr2= 958, 959, 960, &end # # 63 ILE QG2 64 ASP HN 5.90 (#peak 1806) &rst ixpk= 1806, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 951, 952, 953, &end # # 63 ILE QG2 65 PHE HN 5.88 (#peak 2638) &rst ixpk= 2638, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 951, 952, 953, &end # # 63 ILE QG2 76 LYS HN 6.15 (#peak 2713) &rst ixpk= 2713, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 951, 952, 953, &end # # 64 ASP HN 65 PHE HN 5.89 (#peak 1809) &rst ixpk= 1809, nxpk= 0, iat= 964, 976, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 64 ASP HN 75 CYS HA 6.15 (#peak 2423) &rst ixpk= 2423, nxpk= 0, iat= 964,1116, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 64 ASP HN 76 LYS HN 6.15 (#peak 2351) &rst ixpk= 2351, nxpk= 0, iat= 964,1125, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 64 ASP HN 76 LYS HB2 4.01 (#peak 2343) &rst ixpk= 2343, nxpk= 0, iat= 964,1129, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 64 ASP HN 76 LYS O 2.4 &rst ixpk= 2343, nxpk= 0, iat= 964,1145, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 64 ASP HB2 76 LYS HB3 5.16 (#peak 6272) &rst ixpk= 6272, nxpk= 0, iat= 968,1130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 64 ASP HB2 76 LYS HG2 4.89 (#peak 4965) &rst ixpk= 4965, nxpk= 0, iat= 968,1132, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 64 ASP HB3 65 PHE HN 5.30 (#peak 2654) &rst ixpk= 2654, nxpk= 0, iat= 969, 976, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 64 ASP HB3 76 LYS HN 6.11 (#peak 2344) &rst ixpk= 2344, nxpk= 0, iat= 969,1125, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 64 ASP HB3 76 LYS HB2 4.55 (#peak 6273) &rst ixpk= 6273, nxpk= 0, iat= 969,1129, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 64 ASP HB3 76 LYS HD3 5.35 (#peak 5744) &rst ixpk= 5744, nxpk= 0, iat= 969,1136, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 64 ASP HB3 76 LYS HG2 5.13 (#peak 6274) &rst ixpk= 6274, nxpk= 0, iat= 969,1132, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 64 ASP N 76 LYS O 3.3 &rst ixpk= 6274, nxpk= 0, iat= 963,1145, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 65 PHE HN 65 PHE HB3 3.62 (#peak 1782) &rst ixpk= 1782, nxpk= 0, iat= 976, 981, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 65 PHE HN 65 PHE QD 5.91 (#peak 1789) &rst ixpk= 1789, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2= 984, 992, &end # # 65 PHE HN 66 GLN HN 6.15 (#peak 1785) &rst ixpk= 1785, nxpk= 0, iat= 976, 996, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 PHE HN 75 CYS HB2 6.15 (#peak 2398) &rst ixpk= 2398, nxpk= 0, iat= 976,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 PHE HN 75 CYS HB3 6.15 (#peak 2399) &rst ixpk= 2399, nxpk= 0, iat= 976,1119, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 PHE HA 65 PHE QD 5.10 (#peak 223) &rst ixpk= 223, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 984, 992, &end # # 65 PHE HA 66 GLN HG2 5.93 (#peak 6291) &rst ixpk= 6291, nxpk= 0, iat= 978,1003, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end # # 65 PHE HA 75 CYS HN 6.15 (#peak 2400) &rst ixpk= 2400, nxpk= 0, iat= 978,1114, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 PHE HA 75 CYS HA 4.68 (#peak 226) &rst ixpk= 226, nxpk= 0, iat= 978,1116, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 65 PHE HA 75 CYS HB2 5.94 (#peak 4971) &rst ixpk= 4971, nxpk= 0, iat= 978,1118, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 65 PHE HA 75 CYS HB3 5.81 (#peak 4969) &rst ixpk= 4969, nxpk= 0, iat= 978,1119, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 65 PHE HA 76 LYS HN 6.06 (#peak 1773) &rst ixpk= 1773, nxpk= 0, iat= 978,1125, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 65 PHE HB2 66 GLN HN 5.16 (#peak 2653) &rst ixpk= 2653, nxpk= 0, iat= 980, 996, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 65 PHE HB2 75 CYS HB2 6.15 (#peak 4831) &rst ixpk= 4831, nxpk= 0, iat= 980,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 PHE HB2 75 CYS HB3 4.22 (#peak 4833) &rst ixpk= 4833, nxpk= 0, iat= 980,1119, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 65 PHE HB3 75 CYS HB2 6.15 (#peak 4832) &rst ixpk= 4832, nxpk= 0, iat= 981,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 65 PHE QD 66 GLN HN 5.06 (#peak 2629) &rst ixpk= 2629, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 984, 992, &end # # 65 PHE QD 67 VAL HB 4.83 (#peak 5988) &rst ixpk= 5988, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 984, 992, &end # # 65 PHE QD 67 VAL QG1 5.52 (#peak 6053) &rst ixpk= 6053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, igr1= 984, 992, igr2=1019,1020,1021, &end # # 65 PHE QD 67 VAL QG2 3.54 (#peak 6516) &rst ixpk= 6516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 984, 992, igr2=1023,1024,1025, &end # # 65 PHE QD 73 ILE HB 5.75 (#peak 6513) &rst ixpk= 6513, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1= 984, 992, &end # # 65 PHE QD 73 ILE QG2 3.99 (#peak 6324) &rst ixpk= 6324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 984, 992, igr2=1090,1091,1092, &end # # 65 PHE QD 75 CYS HA 6.15 (#peak 6318) &rst ixpk= 6318, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 984, 992, &end # # 65 PHE QD 75 CYS HB2 5.91 (#peak 5518) &rst ixpk= 5518, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 984, 992, &end # # 65 PHE QD 75 CYS HB3 6.15 (#peak 4968) &rst ixpk= 4968, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 984, 992, &end # # 65 PHE QD 76 LYS HN 6.15 (#peak 2717) &rst ixpk= 2717, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 984, 992, &end # # 65 PHE QE 67 VAL HB 5.41 (#peak 6511) &rst ixpk= 6511, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 986, 990, &end # # 65 PHE QE 67 VAL QG1 4.79 (#peak 6512) &rst ixpk= 6512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1= 986, 990, igr2=1019,1020,1021, &end # # 65 PHE QE 67 VAL QG2 3.71 (#peak 6517) &rst ixpk= 6517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 986, 990, igr2=1023,1024,1025, &end # # 65 PHE QE 73 ILE HB 5.27 (#peak 6514) &rst ixpk= 6514, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 986, 990, &end # # 65 PHE QE 73 ILE QG2 4.04 (#peak 6515) &rst ixpk= 6515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 986, 990, igr2=1090,1091,1092, &end # # 65 PHE QE 75 CYS HB2 5.10 (#peak 6518) &rst ixpk= 6518, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 986, 990, &end # # 66 GLN HN 66 GLN HG2 5.25 (#peak 1156) &rst ixpk= 1156, nxpk= 0, iat= 996,1003, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 66 GLN HN 66 GLN HG3 4.84 (#peak 1151) &rst ixpk= 1151, nxpk= 0, iat= 996,1004, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 66 GLN HN 67 VAL HN 4.71 (#peak 1148) &rst ixpk= 1148, nxpk= 0, iat= 996,1013, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 66 GLN HN 73 ILE QD1 5.84 (#peak 2774) &rst ixpk= 2774, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr2=1097,1098,1099, &end # # 66 GLN HN 73 ILE QG2 5.36 (#peak 2773) &rst ixpk= 2773, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2=1090,1091,1092, &end # # 66 GLN HN 74 SER HN 5.47 (#peak 2276) &rst ixpk= 2276, nxpk= 0, iat= 996,1103, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 66 GLN HN 74 SER O 2.4 &rst ixpk= 2276, nxpk= 0, iat= 996,1112, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 66 GLN HN 75 CYS HA 4.63 (#peak 1149) &rst ixpk= 1149, nxpk= 0, iat= 996,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 66 GLN HN 75 CYS HB2 6.15 (#peak 2424) &rst ixpk= 2424, nxpk= 0, iat= 996,1118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 66 GLN HN 75 CYS HB3 5.54 (#peak 2425) &rst ixpk= 2425, nxpk= 0, iat= 996,1119, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end # # 66 GLN HA 66 GLN HE21 5.40 (#peak 2230) &rst ixpk= 2230, nxpk= 0, iat= 998,1008, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 66 GLN HA 66 GLN HE22 5.56 (#peak 3718) &rst ixpk= 3718, nxpk= 0, iat= 998,1009, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 66 GLN HA 66 GLN HG2 4.01 (#peak 2480) &rst ixpk= 2480, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 66 GLN HA 66 GLN HG3 4.20 (#peak 15) &rst ixpk= 15, nxpk= 0, iat= 998,1004, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 66 GLN HB2 66 GLN HE21 6.09 (#peak 304) &rst ixpk= 304, nxpk= 0, iat=1000,1008, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 66 GLN HB2 67 VAL HN 5.72 (#peak 395) &rst ixpk= 395, nxpk= 0, iat=1000,1013, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 66 GLN HB2 74 SER HN 5.79 (#peak 2368) &rst ixpk= 2368, nxpk= 0, iat=1000,1103, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 66 GLN HB2 74 SER HB2 5.53 (#peak 6271) &rst ixpk= 6271, nxpk= 0, iat=1000,1107, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 66 GLN HB3 74 SER HN 6.15 (#peak 2367) &rst ixpk= 2367, nxpk= 0, iat=1001,1103, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 66 GLN HB3 74 SER HB2 5.67 (#peak 6270) &rst ixpk= 6270, nxpk= 0, iat=1001,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end # # 66 GLN HB3 74 SER HB3 5.92 (#peak 5746) &rst ixpk= 5746, nxpk= 0, iat=1001,1108, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 66 GLN HG2 74 SER HB2 6.07 (#peak 6035) &rst ixpk= 6035, nxpk= 0, iat=1003,1107, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end # # 66 GLN HG3 74 SER HB2 5.63 (#peak 6282) &rst ixpk= 6282, nxpk= 0, iat=1004,1107, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end # # 66 GLN N 74 SER O 3.3 &rst ixpk= 6282, nxpk= 0, iat= 995,1112, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 67 VAL HN 67 VAL QQG 6.15 (#peak 400) &rst ixpk= 400, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=1019,1020,1021,1023,1024,1025, &end # # 67 VAL HA 67 VAL QG1 4.01 (#peak 3535) &rst ixpk= 3535, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1019,1020,1021, &end # # 67 VAL HA 73 ILE HA 4.49 (#peak 6363) &rst ixpk= 6363, nxpk= 0, iat=1015,1086, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 67 VAL HA 73 ILE QD1 4.74 (#peak 6526) &rst ixpk= 6526, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1097,1098,1099, &end # # 67 VAL HA 73 ILE QG2 4.59 (#peak 6070) &rst ixpk= 6070, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=1090,1091,1092, &end # # 67 VAL HB 68 VAL HN 6.15 (#peak 809) &rst ixpk= 809, nxpk= 0, iat=1017,1029, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 67 VAL HB 73 ILE QG2 5.57 (#peak 6119) &rst ixpk= 6119, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2=1090,1091,1092, &end # # 67 VAL QG1 69 PRO HA 5.12 (#peak 6364) &rst ixpk= 6364, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=1019,1020,1021, &end # # 67 VAL QG1 69 PRO HD2 4.98 (#peak 6090) &rst ixpk= 6090, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1=1019,1020,1021, &end # # 67 VAL QG1 69 PRO HD3 4.45 (#peak 6367) &rst ixpk= 6367, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1019,1020,1021, &end # # 67 VAL QG1 69 PRO HG2 5.07 (#peak 6356) &rst ixpk= 6356, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=1019,1020,1021, &end # # 67 VAL QG1 69 PRO HG3 4.25 (#peak 6354) &rst ixpk= 6354, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1=1019,1020,1021, &end # # 67 VAL QG1 73 ILE HA 6.14 (#peak 5669) &rst ixpk= 5669, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1=1019,1020,1021, &end # # 67 VAL QG1 73 ILE QG1 5.00 (#peak 6357) &rst ixpk= 6357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1019,1020,1021, igr2=1094,1095, &end # # 67 VAL QG2 73 ILE HA 4.98 (#peak 6525) &rst ixpk= 6525, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1=1023,1024,1025, &end # # 67 VAL QQG 68 VAL HN 5.72 (#peak 808) &rst ixpk= 808, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1=1019,1020,1021,1023,1024,1025, &end # # 68 VAL HN 68 VAL QG2 4.14 (#peak 804) &rst ixpk= 804, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1039,1040,1041, &end # # 68 VAL HN 72 GLY HN 5.96 (#peak 1000) &rst ixpk= 1000, nxpk= 0, iat=1029,1077, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 68 VAL HN 73 ILE HA 5.70 (#peak 2355) &rst ixpk= 2355, nxpk= 0, iat=1029,1086, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 68 VAL HA 69 PRO HD2 3.60 (#peak 6088) &rst ixpk= 6088, nxpk= 0, iat=1031,1046, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 68 VAL HA 69 PRO HD3 3.38 (#peak 6087) &rst ixpk= 6087, nxpk= 0, iat=1031,1047, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 68 VAL HA 69 PRO HG2 4.98 (#peak 6086) &rst ixpk= 6086, nxpk= 0, iat=1031,1049, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 68 VAL HB 69 PRO HD2 5.96 (#peak 4753) &rst ixpk= 4753, nxpk= 0, iat=1033,1046, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 68 VAL HB 69 PRO HD3 5.42 (#peak 5354) &rst ixpk= 5354, nxpk= 0, iat=1033,1047, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 68 VAL QG1 71 CYS HN 4.24 (#peak 2767) &rst ixpk= 2767, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1035,1036,1037, &end # # 68 VAL QG1 72 GLY HN 4.02 (#peak 2599) &rst ixpk= 2599, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1035,1036,1037, &end # # 68 VAL QG2 70 GLY HN 6.11 (#peak 2640) &rst ixpk= 2640, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1=1039,1040,1041, &end # # 68 VAL QG2 71 CYS HN 6.15 (#peak 2235) &rst ixpk= 2235, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1039,1040,1041, &end # # 68 VAL QG2 72 GLY HN 5.67 (#peak 2356) &rst ixpk= 2356, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1039,1040,1041, &end # # 68 VAL QG2 72 GLY HA3 6.15 (#peak 6313) &rst ixpk= 6313, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1039,1040,1041, &end # # 69 PRO HA 70 GLY QA 4.99 (#peak 4755) &rst ixpk= 4755, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1061,1062, &end # # 69 PRO HA 72 GLY HN 5.91 (#peak 2725) &rst ixpk= 2725, nxpk= 0, iat=1055,1077, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 69 PRO HB2 71 CYS HN 6.15 (#peak 2234) &rst ixpk= 2234, nxpk= 0, iat=1052,1066, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 70 GLY QA 71 CYS HA 4.95 (#peak 4757) &rst ixpk= 4757, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1061,1062, &end # # 71 CYS HN 72 GLY HN 5.36 (#peak 999) &rst ixpk= 999, nxpk= 0, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 71 CYS HB2 72 GLY HN 6.10 (#peak 1006) &rst ixpk= 1006, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 71 CYS HB3 72 GLY HN 5.75 (#peak 1001) &rst ixpk= 1001, nxpk= 0, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 72 GLY HA2 137 GLY HA3 4.20 (#peak 6267) &rst ixpk= 6267, nxpk= 0, iat=1079,2069, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 72 GLY HA2 138 ASN HN 4.78 (#peak 3942) &rst ixpk= 3942, nxpk= 0, iat=1079,2073, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 72 GLY HA3 137 GLY HA3 4.55 (#peak 6263) &rst ixpk= 6263, nxpk= 0, iat=1080,2069, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 72 GLY HA3 138 ASN HN 4.78 (#peak 3246) &rst ixpk= 3246, nxpk= 0, iat=1080,2073, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 72 GLY HA3 73 ILE QD1 5.66 (#peak 6247) &rst ixpk= 6247, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr2=1097,1098,1099, &end # # 72 GLY HA3 73 ILE QG2 5.88 (#peak 6243) &rst ixpk= 6243, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr2=1090,1091,1092, &end # # 73 ILE HN 136 ILE HN 4.00 (#peak 2526) &rst ixpk= 2526, nxpk= 0, iat=1084,2047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 73 ILE HA 73 ILE QD1 3.89 (#peak 6362) &rst ixpk= 6362, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1097,1098,1099, &end # # 73 ILE HA 73 ILE QG2 4.12 (#peak 6069) &rst ixpk= 6069, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1090,1091,1092, &end # # 73 ILE HA 74 SER HN 3.02 (#peak 2354) &rst ixpk= 2354, nxpk= 0, iat=1086,1103, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 73 ILE HA 74 SER HA 5.64 (#peak 5485) &rst ixpk= 5485, nxpk= 0, iat=1086,1105, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 73 ILE HB 136 ILE HA 6.11 (#peak 6120) &rst ixpk= 6120, nxpk= 0, iat=1088,2049, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 73 ILE HB 136 ILE QG2 4.94 (#peak 4675) &rst ixpk= 4675, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=2053,2054,2055, &end # # 73 ILE QD1 137 GLY HA2 5.59 (#peak 6248) &rst ixpk= 6248, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1=1097,1098,1099, &end # # 73 ILE QG2 136 ILE QD1 5.58 (#peak 6122) &rst ixpk= 6122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1=1090,1091,1092, igr2=2060,2061,2062, &end # # 73 ILE QG2 73 ILE QD1 6.15 (#peak 6067) &rst ixpk= 6067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37, igr1=1090,1091,1092, igr2=1097,1098,1099, &end # # 74 SER HN 75 CYS HN 5.96 (#peak 959) &rst ixpk= 959, nxpk= 0, iat=1103,1114, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 74 SER HA 135 LEU HA 5.26 (#peak 195) &rst ixpk= 195, nxpk= 0, iat=1105,2030, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 74 SER HA 135 LEU HB3 5.43 (#peak 4511) &rst ixpk= 4511, nxpk= 0, iat=1105,2033, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 74 SER HA 135 LEU HG 4.90 (#peak 4510) &rst ixpk= 4510, nxpk= 0, iat=1105,2035, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 74 SER HA 135 LEU QD1 4.73 (#peak 4512) &rst ixpk= 4512, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=2037,2038,2039, &end # # 74 SER HA 141 TRP HH2 4.93 (#peak 9222) &rst ixpk= 9222, nxpk= 0, iat=1105,2141, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 74 SER HB2 135 LEU HB2 6.15 (#peak 4873) &rst ixpk= 4873, nxpk= 0, iat=1107,2032, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 74 SER HB2 135 LEU HB3 5.43 (#peak 5526) &rst ixpk= 5526, nxpk= 0, iat=1107,2033, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 74 SER HB2 135 LEU HG 6.15 (#peak 4874) &rst ixpk= 4874, nxpk= 0, iat=1107,2035, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 74 SER HB2 135 LEU QD1 4.39 (#peak 4876) &rst ixpk= 4876, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=2037,2038,2039, &end # # 74 SER HB2 135 LEU QD2 6.15 (#peak 4878) &rst ixpk= 4878, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2041,2042,2043, &end # # 74 SER HB2 141 TRP HH2 3.96 (#peak 9210) &rst ixpk= 9210, nxpk= 0, iat=1107,2141, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 74 SER HB2 75 CYS HN 6.15 (#peak 960) &rst ixpk= 960, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 74 SER HB3 135 LEU QD1 4.63 (#peak 4875) &rst ixpk= 4875, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=2037,2038,2039, &end # # 74 SER HB3 141 TRP HH2 3.82 (#peak 9211) &rst ixpk= 9211, nxpk= 0, iat=1108,2141, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 74 SER HB3 141 TRP HZ2 5.86 (#peak 6534) &rst ixpk= 6534, nxpk= 0, iat=1108,2139, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 74 SER HB3 75 CYS HN 6.15 (#peak 958) &rst ixpk= 958, nxpk= 0, iat=1108,1114, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 75 CYS HN 133 LYS HG2 6.00 (#peak 2486) &rst ixpk= 2486, nxpk= 0, iat=1114,1997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 75 CYS HN 134 VAL HN 5.78 (#peak 2248) &rst ixpk= 2248, nxpk= 0, iat=1114,2012, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 75 CYS HN 134 VAL HB 6.15 (#peak 2417) &rst ixpk= 2417, nxpk= 0, iat=1114,2016, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 75 CYS HN 134 VAL O 2.4 &rst ixpk= 2417, nxpk= 0, iat=1114,2026, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 75 CYS HN 134 VAL QG1 6.15 (#peak 2416) &rst ixpk= 2416, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2018,2019,2020, &end # # 75 CYS HN 134 VAL QG2 6.15 (#peak 2415) &rst ixpk= 2415, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2022,2023,2024, &end # # 75 CYS HN 135 LEU HA 5.82 (#peak 952) &rst ixpk= 952, nxpk= 0, iat=1114,2030, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 75 CYS HN 135 LEU HB3 6.15 (#peak 2693) &rst ixpk= 2693, nxpk= 0, iat=1114,2033, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 75 CYS HN 76 LYS HN 5.79 (#peak 962) &rst ixpk= 962, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 75 CYS HA 134 VAL HN 5.79 (#peak 2249) &rst ixpk= 2249, nxpk= 0, iat=1116,2012, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 75 CYS HB2 76 LYS HN 4.40 (#peak 1771) &rst ixpk= 1771, nxpk= 0, iat=1118,1125, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 75 CYS HB3 134 VAL QG2 5.92 (#peak 6157) &rst ixpk= 6157, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr2=2022,2023,2024, &end # # 75 CYS HB3 76 LYS HN 6.15 (#peak 1765) &rst ixpk= 1765, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 75 CYS N 134 VAL O 3.3 &rst ixpk= 1765, nxpk= 0, iat=1113,2026, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 76 LYS HN 76 LYS HD2 6.15 (#peak 1770) &rst ixpk= 1770, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HN 76 LYS HD3 5.97 (#peak 1764) &rst ixpk= 1764, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 76 LYS HN 76 LYS HG2 6.09 (#peak 1760) &rst ixpk= 1760, nxpk= 0, iat=1125,1132, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 76 LYS HN 76 LYS HG3 5.95 (#peak 1759) &rst ixpk= 1759, nxpk= 0, iat=1125,1133, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 76 LYS HN 76 LYS QE 5.93 (#peak 1769) &rst ixpk= 1769, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr2=1138,1139, &end # # 76 LYS HA 133 LYS HA 4.98 (#peak 2335) &rst ixpk= 2335, nxpk= 0, iat=1127,1992, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 76 LYS HA 133 LYS HB2 6.15 (#peak 4891) &rst ixpk= 4891, nxpk= 0, iat=1127,1994, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HA 133 LYS HG3 6.15 (#peak 4889) &rst ixpk= 4889, nxpk= 0, iat=1127,1998, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HA 133 LYS QD 5.51 (#peak 6051) &rst ixpk= 6051, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2=2000,2001, &end # # 76 LYS HA 134 VAL HN 4.40 (#peak 425) &rst ixpk= 425, nxpk= 0, iat=1127,2012, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 76 LYS HA 134 VAL QG2 5.04 (#peak 6333) &rst ixpk= 6333, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=2022,2023,2024, &end # # 76 LYS HA 76 LYS HD2 5.50 (#peak 3218) &rst ixpk= 3218, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 LYS HA 76 LYS HD3 5.07 (#peak 3222) &rst ixpk= 3222, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 76 LYS HA 76 LYS QE 5.73 (#peak 3225) &rst ixpk= 3225, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2=1138,1139, &end # # 76 LYS HA 77 VAL QG1 5.58 (#peak 6293) &rst ixpk= 6293, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr2=1153,1154,1155, &end # # 76 LYS HB2 76 LYS HD3 4.14 (#peak 2792) &rst ixpk= 2792, nxpk= 0, iat=1129,1136, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 76 LYS HB2 76 LYS QE 4.59 (#peak 3636) &rst ixpk= 3636, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1138,1139, &end # # 76 LYS HB3 133 LYS HG2 5.48 (#peak 4910) &rst ixpk= 4910, nxpk= 0, iat=1130,1997, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 76 LYS HB3 76 LYS QE 4.63 (#peak 3643) &rst ixpk= 3643, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1138,1139, &end # # 76 LYS HD2 133 LYS HA 6.15 (#peak 4518) &rst ixpk= 4518, nxpk= 0, iat=1135,1992, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HD2 133 LYS HB2 5.31 (#peak 6338) &rst ixpk= 6338, nxpk= 0, iat=1135,1994, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 76 LYS HD2 133 LYS HB3 5.62 (#peak 4791) &rst ixpk= 4791, nxpk= 0, iat=1135,1995, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 76 LYS HD2 133 LYS HG3 5.45 (#peak 4906) &rst ixpk= 4906, nxpk= 0, iat=1135,1998, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 76 LYS HD3 133 LYS HB2 5.65 (#peak 4897) &rst ixpk= 4897, nxpk= 0, iat=1136,1994, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 76 LYS HD3 133 LYS HG3 4.52 (#peak 4793) &rst ixpk= 4793, nxpk= 0, iat=1136,1998, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 76 LYS HD3 77 VAL HN 6.15 (#peak 1238) &rst ixpk= 1238, nxpk= 0, iat=1136,1147, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HG2 133 LYS HG3 6.15 (#peak 4894) &rst ixpk= 4894, nxpk= 0, iat=1132,1998, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HG2 76 LYS QE 3.89 (#peak 3644) &rst ixpk= 3644, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1138,1139, &end # # 76 LYS HG2 77 VAL HN 5.79 (#peak 1235) &rst ixpk= 1235, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 76 LYS HG3 133 LYS HA 6.15 (#peak 4520) &rst ixpk= 4520, nxpk= 0, iat=1133,1992, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HG3 133 LYS HG2 6.15 (#peak 4908) &rst ixpk= 4908, nxpk= 0, iat=1133,1997, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS HG3 76 LYS QE 4.02 (#peak 3639) &rst ixpk= 3639, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=1138,1139, &end # # 76 LYS HG3 77 VAL HN 6.15 (#peak 1234) &rst ixpk= 1234, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 76 LYS QE 133 LYS HB2 6.15 (#peak 4903) &rst ixpk= 4903, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=1138,1139, &end # # 76 LYS QE 133 LYS HB3 4.79 (#peak 4902) &rst ixpk= 4902, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1138,1139, &end # # 76 LYS QE 133 LYS HG2 5.74 (#peak 4904) &rst ixpk= 4904, nxpk= 0, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1=1138,1139, &end # # 76 LYS QE 133 LYS HG3 5.09 (#peak 6050) &rst ixpk= 6050, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=1138,1139, &end # # 76 LYS QE 133 LYS QD 4.50 (#peak 5823) &rst ixpk= 5823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1138,1139, igr2=2000,2001, &end # # 77 VAL HN 132 TYR HB3 5.12 (#peak 2607) &rst ixpk= 2607, nxpk= 0, iat=1147,1974, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 77 VAL HN 132 TYR O 2.4 &rst ixpk= 2607, nxpk= 0, iat=1147,1988, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 77 VAL HN 132 TYR QD 5.29 (#peak 2608) &rst ixpk= 2608, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1977,1986, &end # # 77 VAL HN 77 VAL QG1 4.65 (#peak 1245) &rst ixpk= 1245, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1153,1154,1155, &end # # 77 VAL HN 77 VAL QG2 5.77 (#peak 1239) &rst ixpk= 1239, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1157,1158,1159, &end # # 77 VAL HN 78 THR HN 6.15 (#peak 2026) &rst ixpk= 2026, nxpk= 0, iat=1147,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 77 VAL HB 132 TYR HN 6.15 (#peak 2412) &rst ixpk= 2412, nxpk= 0, iat=1151,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 77 VAL HB 132 TYR HB3 5.77 (#peak 4886) &rst ixpk= 4886, nxpk= 0, iat=1151,1974, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 77 VAL HB 78 THR HN 4.89 (#peak 2029) &rst ixpk= 2029, nxpk= 0, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 77 VAL N 132 TYR O 3.3 &rst ixpk= 2029, nxpk= 0, iat=1146,1988, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 77 VAL QG1 132 TYR HN 6.15 (#peak 2411) &rst ixpk= 2411, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1153,1154,1155, &end # # 77 VAL QG1 132 TYR HB2 6.15 (#peak 4884) &rst ixpk= 4884, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1153,1154,1155, &end # # 77 VAL QG1 132 TYR QD 6.08 (#peak 5986) &rst ixpk= 5986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, igr1=1153,1154,1155, igr2=1977,1986, &end # # 77 VAL QG2 132 TYR HN 6.15 (#peak 2410) &rst ixpk= 2410, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1157,1158,1159, &end # # 77 VAL QG2 132 TYR HB2 6.15 (#peak 4885) &rst ixpk= 4885, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1157,1158,1159, &end # # 77 VAL QG2 132 TYR QD 5.92 (#peak 5985) &rst ixpk= 5985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48, igr1=1157,1158,1159, igr2=1977,1986, &end # # 77 VAL QG2 78 THR HA 4.80 (#peak 6467) &rst ixpk= 6467, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=1157,1158,1159, &end # # 78 THR HN 62 CYS O 2.4 &rst ixpk= 6467, nxpk= 0, iat=1163, 943, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 78 THR HN 78 THR QG2 3.02 (#peak 2023) &rst ixpk= 2023, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2=1169,1170,1171, &end # # 78 THR HA 131 GLN HE22 5.91 (#peak 9196) &rst ixpk= 9196, nxpk= 0, iat=1165,1965, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 78 THR HA 132 TYR QD 5.72 (#peak 9197) &rst ixpk= 9197, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr2=1977,1986, &end # # 78 THR HA 78 THR QG2 4.24 (#peak 822) &rst ixpk= 822, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2=1169,1170,1171, &end # # 78 THR HA 79 ASN HA 4.93 (#peak 4696) &rst ixpk= 4696, nxpk= 0, iat=1165,1179, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 78 THR HB 131 GLN HB3 6.08 (#peak 6150) &rst ixpk= 6150, nxpk= 0, iat=1167,1957, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end # # 78 THR HB 131 GLN HG3 5.45 (#peak 6148) &rst ixpk= 6148, nxpk= 0, iat=1167,1960, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 78 THR HB 132 TYR HN 6.15 (#peak 2742) &rst ixpk= 2742, nxpk= 0, iat=1167,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 78 THR HB 79 ASN HN 4.92 (#peak 1085) &rst ixpk= 1085, nxpk= 0, iat=1167,1177, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 78 THR N 62 CYS O 3.3 &rst ixpk= 1085, nxpk= 0, iat=1162, 943, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 78 THR QG2 131 GLN HE21 6.15 (#peak 2552) &rst ixpk= 2552, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1169,1170,1171, &end # # 78 THR QG2 131 GLN HE22 5.46 (#peak 6154) &rst ixpk= 6154, nxpk= 0, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1169,1170,1171, &end # # 78 THR QG2 131 GLN HG2 5.71 (#peak 6151) &rst ixpk= 6151, nxpk= 0, iat= -1,1959, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1=1169,1170,1171, &end # # 78 THR QG2 79 ASN HN 4.65 (#peak 1089) &rst ixpk= 1089, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=1169,1170,1171, &end # # 78 THR QG2 79 ASN HA 4.70 (#peak 4695) &rst ixpk= 4695, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=1169,1170,1171, &end # # 78 THR QG2 79 ASN HB2 5.30 (#peak 5632) &rst ixpk= 5632, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1169,1170,1171, &end # # 78 THR QG2 79 ASN HB3 5.17 (#peak 4859) &rst ixpk= 4859, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=1169,1170,1171, &end # # 78 THR QG2 79 ASN HD21 6.15 (#peak 2549) &rst ixpk= 2549, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1169,1170,1171, &end # # 78 THR QG2 79 ASN HD22 6.15 (#peak 2548) &rst ixpk= 2548, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1169,1170,1171, &end # # 79 ASN HN 80 ILE HN 4.78 (#peak 1086) &rst ixpk= 1086, nxpk= 0, iat=1177,1191, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 79 ASN HA 79 ASN HD21 5.92 (#peak 2077) &rst ixpk= 2077, nxpk= 0, iat=1179,1186, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 79 ASN HA 79 ASN HD22 5.79 (#peak 741) &rst ixpk= 741, nxpk= 0, iat=1179,1187, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 79 ASN HA 80 ILE QG2 6.15 (#peak 5623) &rst ixpk= 5623, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1197,1198,1199, &end # # 79 ASN HA 82 GLY HN 6.15 (#peak 2504) &rst ixpk= 2504, nxpk= 0, iat=1179,1225, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 79 ASN HA 83 LEU HN 6.15 (#peak 2505) &rst ixpk= 2505, nxpk= 0, iat=1179,1232, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 79 ASN HB2 79 ASN HD21 3.94 (#peak 2079) &rst ixpk= 2079, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 79 ASN HB3 79 ASN HD21 3.87 (#peak 2074) &rst ixpk= 2074, nxpk= 0, iat=1182,1186, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 80 ILE HN 80 ILE HG12 6.15 (#peak 479) &rst ixpk= 479, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 80 ILE HN 80 ILE HG13 6.05 (#peak 472) &rst ixpk= 472, nxpk= 0, iat=1191,1202, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 80 ILE HN 80 ILE QD1 5.80 (#peak 476) &rst ixpk= 476, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1204,1205,1206, &end # # 80 ILE HN 80 ILE QG2 6.14 (#peak 473) &rst ixpk= 473, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr2=1197,1198,1199, &end # # 80 ILE HN 81 GLU HN 6.15 (#peak 471) &rst ixpk= 471, nxpk= 0, iat=1191,1210, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 80 ILE HA 80 ILE QD1 4.49 (#peak 2147) &rst ixpk= 2147, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1204,1205,1206, &end # # 80 ILE HB 80 ILE QD1 3.84 (#peak 2151) &rst ixpk= 2151, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=1204,1205,1206, &end # # 80 ILE HB 81 GLU HN 4.82 (#peak 65) &rst ixpk= 65, nxpk= 0, iat=1195,1210, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 80 ILE QD1 130 GLN HE21 5.20 (#peak 6031) &rst ixpk= 6031, nxpk= 0, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=1204,1205,1206, &end # # 80 ILE QD1 132 TYR HB2 5.41 (#peak 6429) &rst ixpk= 6429, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=1204,1205,1206, &end # # 80 ILE QD1 132 TYR HB3 5.46 (#peak 6430) &rst ixpk= 6430, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1204,1205,1206, &end # # 80 ILE QG2 80 ILE HG12 3.99 (#peak 2550) &rst ixpk= 2550, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=1197,1198,1199, &end # # 80 ILE QG2 80 ILE HG13 3.67 (#peak 2554) &rst ixpk= 2554, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1197,1198,1199, &end # # 80 ILE QG2 80 ILE QD1 3.54 (#peak 2150) &rst ixpk= 2150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1=1197,1198,1199, igr2=1204,1205,1206, &end # # 81 GLU HN 81 GLU QB 3.59 (#peak 68) &rst ixpk= 68, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=1214,1215, &end # # 81 GLU HN 82 GLY HN 6.09 (#peak 66) &rst ixpk= 66, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 81 GLU QB 128 ASN HA 5.69 (#peak 5641) &rst ixpk= 5641, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=1214,1215, &end # # 81 GLU QB 129 ALA HA 4.98 (#peak 5640) &rst ixpk= 5640, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=1214,1215, &end # # 81 GLU QB 129 ALA QB 4.41 (#peak 5643) &rst ixpk= 5643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1214,1215, igr2=1929,1930,1931, &end # # 81 GLU QB 82 GLY HN 5.93 (#peak 1750) &rst ixpk= 1750, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr1=1214,1215, &end # # 81 GLU QB 82 GLY HA3 6.09 (#peak 5872) &rst ixpk= 5872, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr1=1214,1215, &end # # 82 GLY HN 83 LEU HN 6.04 (#peak 1747) &rst ixpk= 1747, nxpk= 0, iat=1225,1232, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end # # 82 GLY HA2 84 LEU HN 6.09 (#peak 134) &rst ixpk= 134, nxpk= 0, iat=1227,1251, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 82 GLY HA3 84 LEU HN 6.15 (#peak 1440) &rst ixpk= 1440, nxpk= 0, iat=1228,1251, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 83 LEU HN 83 LEU HG 6.15 (#peak 785) &rst ixpk= 785, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 83 LEU HN 83 LEU QD1 6.15 (#peak 789) &rst ixpk= 789, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1241,1242,1243, &end # # 83 LEU HN 84 LEU HN 5.81 (#peak 782) &rst ixpk= 782, nxpk= 0, iat=1232,1251, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 83 LEU HN 84 LEU QD1 6.15 (#peak 2553) &rst ixpk= 2553, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1260,1261,1262, &end # # 83 LEU HA 83 LEU QD1 3.86 (#peak 2650) &rst ixpk= 2650, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1241,1242,1243, &end # # 83 LEU HB2 83 LEU QD1 4.19 (#peak 71) &rst ixpk= 71, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1241,1242,1243, &end # # 83 LEU HB2 84 LEU HN 6.15 (#peak 132) &rst ixpk= 132, nxpk= 0, iat=1236,1251, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 83 LEU HB3 83 LEU QD1 3.24 (#peak 1423) &rst ixpk= 1423, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1241,1242,1243, &end # # 83 LEU HB3 84 LEU HN 5.90 (#peak 137) &rst ixpk= 137, nxpk= 0, iat=1237,1251, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 83 LEU HG 84 LEU HN 6.00 (#peak 131) &rst ixpk= 131, nxpk= 0, iat=1239,1251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 83 LEU QD1 84 LEU HN 5.09 (#peak 136) &rst ixpk= 136, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=1241,1242,1243, &end # # 84 LEU HN 84 LEU HB2 4.14 (#peak 138) &rst ixpk= 138, nxpk= 0, iat=1251,1255, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 84 LEU HN 84 LEU HG 5.87 (#peak 135) &rst ixpk= 135, nxpk= 0, iat=1251,1258, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 84 LEU HN 84 LEU QD1 4.84 (#peak 126) &rst ixpk= 126, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1260,1261,1262, &end # # 84 LEU HN 85 HIS HN 4.66 (#peak 133) &rst ixpk= 133, nxpk= 0, iat=1251,1270, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 84 LEU HB2 84 LEU QD1 3.32 (#peak 2513) &rst ixpk= 2513, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=1260,1261,1262, &end # # 84 LEU HB2 85 HIS HN 5.80 (#peak 1523) &rst ixpk= 1523, nxpk= 0, iat=1255,1270, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 84 LEU HB3 84 LEU QD1 3.33 (#peak 2518) &rst ixpk= 2518, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1260,1261,1262, &end # # 84 LEU HB3 85 HIS HN 4.72 (#peak 1518) &rst ixpk= 1518, nxpk= 0, iat=1256,1270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 84 LEU HG 85 HIS HN 5.88 (#peak 1522) &rst ixpk= 1522, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 84 LEU QD1 125 ASN HB2 4.96 (#peak 5873) &rst ixpk= 5873, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1=1260,1261,1262, &end # # 84 LEU QD1 85 HIS HN 5.62 (#peak 1515) &rst ixpk= 1515, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1=1260,1261,1262, &end # # 85 HIS HN 86 LYS HN 5.98 (#peak 2056) &rst ixpk= 2056, nxpk= 0, iat=1270,1287, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 85 HIS HA 86 LYS HB2 5.51 (#peak 5625) &rst ixpk= 5625, nxpk= 0, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 85 HIS HA 86 LYS QG 6.15 (#peak 5624) &rst ixpk= 5624, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=1294,1295, &end # # 85 HIS HB2 86 LYS HN 4.81 (#peak 2060) &rst ixpk= 2060, nxpk= 0, iat=1274,1287, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 85 HIS HB3 86 LYS HN 6.15 (#peak 2054) &rst ixpk= 2054, nxpk= 0, iat=1275,1287, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 85 HIS HB3 86 LYS HA 5.69 (#peak 5614) &rst ixpk= 5614, nxpk= 0, iat=1275,1289, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 86 LYS HN 86 LYS HB2 4.16 (#peak 2059) &rst ixpk= 2059, nxpk= 0, iat=1287,1291, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 86 LYS HN 86 LYS QD 4.92 (#peak 2053) &rst ixpk= 2053, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=1297,1298, &end # # 86 LYS HN 86 LYS QG 5.38 (#peak 2057) &rst ixpk= 2057, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1294,1295, &end # # 86 LYS HA 86 LYS QD 4.97 (#peak 2646) &rst ixpk= 2646, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1297,1298, &end # # 86 LYS HB2 86 LYS QD 3.13 (#peak 1341) &rst ixpk= 1341, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=1297,1298, &end # # 86 LYS HB2 86 LYS QE 4.55 (#peak 1336) &rst ixpk= 1336, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1300,1301, &end # # 86 LYS HB3 86 LYS QD 2.76 (#peak 2648) &rst ixpk= 2648, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, igr2=1297,1298, &end # # 86 LYS HB3 86 LYS QE 3.63 (#peak 49) &rst ixpk= 49, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1300,1301, &end # # 86 LYS HB3 88 ASN HA 5.84 (#peak 5822) &rst ixpk= 5822, nxpk= 0, iat=1292,1325, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 86 LYS QG 86 LYS QE 4.05 (#peak 976) &rst ixpk= 976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1=1294,1295, igr2=1300,1301, &end # # 88 ASN HN 89 TRP HN 6.02 (#peak 1682) &rst ixpk= 1682, nxpk= 0, iat=1323,1337, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end # # 88 ASN HB3 89 TRP HN 6.15 (#peak 1890) &rst ixpk= 1890, nxpk= 0, iat=1328,1337, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 89 TRP HN 90 ASN HN 6.15 (#peak 1893) &rst ixpk= 1893, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 89 TRP HN 90 ASN HB2 6.15 (#peak 2506) &rst ixpk= 2506, nxpk= 0, iat=1337,1365, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 89 TRP HN 90 ASN HD21 4.68 (#peak 2645) &rst ixpk= 2645, nxpk= 0, iat=1337,1370, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 89 TRP HN 91 ILE HB 4.88 (#peak 2747) &rst ixpk= 2747, nxpk= 0, iat=1337,1379, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 89 TRP HN 91 ILE HG12 6.15 (#peak 2539) &rst ixpk= 2539, nxpk= 0, iat=1337,1385, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 89 TRP HN 91 ILE HG13 6.15 (#peak 2540) &rst ixpk= 2540, nxpk= 0, iat=1337,1386, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 89 TRP HN 91 ILE QG2 6.15 (#peak 2748) &rst ixpk= 2748, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1381,1382,1383, &end # # 89 TRP HA 90 ASN HD21 5.50 (#peak 5358) &rst ixpk= 5358, nxpk= 0, iat=1339,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 TRP QB 90 ASN HN 5.94 (#peak 1484) &rst ixpk= 1484, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=1341,1342, &end # # 89 TRP QB 90 ASN HD21 4.76 (#peak 5359) &rst ixpk= 5359, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1341,1342, &end # # 90 ASN HN 90 ASN HD21 6.15 (#peak 1476) &rst ixpk= 1476, nxpk= 0, iat=1361,1370, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 90 ASN HN 91 ILE HN 6.15 (#peak 1480) &rst ixpk= 1480, nxpk= 0, iat=1361,1375, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 90 ASN HA 90 ASN HD21 6.15 (#peak 36) &rst ixpk= 36, nxpk= 0, iat=1363,1370, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 90 ASN HA 90 ASN HD22 6.15 (#peak 1458) &rst ixpk= 1458, nxpk= 0, iat=1363,1371, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 90 ASN HB2 91 ILE HN 5.97 (#peak 814) &rst ixpk= 814, nxpk= 0, iat=1365,1375, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 90 ASN HB2 92 GLU HN 5.81 (#peak 1865) &rst ixpk= 1865, nxpk= 0, iat=1365,1394, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 90 ASN HB3 91 ILE HN 5.94 (#peak 812) &rst ixpk= 812, nxpk= 0, iat=1366,1375, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 91 ILE HN 91 ILE HG12 5.92 (#peak 820) &rst ixpk= 820, nxpk= 0, iat=1375,1385, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 91 ILE HN 91 ILE HG13 5.98 (#peak 817) &rst ixpk= 817, nxpk= 0, iat=1375,1386, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 91 ILE HN 91 ILE QD1 6.15 (#peak 818) &rst ixpk= 818, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1388,1389,1390, &end # # 91 ILE HN 91 ILE QG2 6.15 (#peak 816) &rst ixpk= 816, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1381,1382,1383, &end # # 91 ILE HN 92 GLU HN 5.76 (#peak 1866) &rst ixpk= 1866, nxpk= 0, iat=1375,1394, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 91 ILE HN 93 ASP HN 6.04 (#peak 2526) &rst ixpk= 2526, nxpk= 0, iat=1375,1409, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end # # 91 ILE HA 91 ILE HG12 4.01 (#peak 3362) &rst ixpk= 3362, nxpk= 0, iat=1377,1385, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 91 ILE HA 91 ILE HG13 4.15 (#peak 3358) &rst ixpk= 3358, nxpk= 0, iat=1377,1386, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 91 ILE HA 91 ILE QD1 4.16 (#peak 3364) &rst ixpk= 3364, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1388,1389,1390, &end # # 91 ILE HA 91 ILE QG2 3.97 (#peak 3361) &rst ixpk= 3361, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1381,1382,1383, &end # # 91 ILE HA 93 ASP HN 5.82 (#peak 2528) &rst ixpk= 2528, nxpk= 0, iat=1377,1409, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 91 ILE HB 91 ILE QD1 3.62 (#peak 4221) &rst ixpk= 4221, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=1388,1389,1390, &end # # 91 ILE HB 92 GLU HN 6.13 (#peak 1875) &rst ixpk= 1875, nxpk= 0, iat=1379,1394, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end # # 91 ILE HB 94 ASN HB2 5.11 (#peak 6455) &rst ixpk= 6455, nxpk= 0, iat=1379,1425, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 91 ILE HB 94 ASN HB3 4.69 (#peak 6456) &rst ixpk= 6456, nxpk= 0, iat=1379,1426, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 91 ILE HG12 92 GLU HN 5.85 (#peak 1871) &rst ixpk= 1871, nxpk= 0, iat=1385,1394, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end # # 91 ILE HG13 92 GLU HN 5.84 (#peak 1869) &rst ixpk= 1869, nxpk= 0, iat=1386,1394, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 91 ILE QD1 92 GLU HN 5.83 (#peak 1870) &rst ixpk= 1870, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1388,1389,1390, &end # # 91 ILE QG2 91 ILE HG13 3.59 (#peak 303) &rst ixpk= 303, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1381,1382,1383, &end # # 91 ILE QG2 91 ILE QD1 3.78 (#peak 4103) &rst ixpk= 4103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1381,1382,1383, igr2=1388,1389,1390, &end # # 91 ILE QG2 92 GLU HN 6.01 (#peak 1868) &rst ixpk= 1868, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, igr1=1381,1382,1383, &end # # 92 GLU HN 92 GLU HG2 6.15 (#peak 1867) &rst ixpk= 1867, nxpk= 0, iat=1394,1401, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 92 GLU HN 92 GLU HG3 6.15 (#peak 1873) &rst ixpk= 1873, nxpk= 0, iat=1394,1402, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 92 GLU HN 93 ASP HN 5.71 (#peak 1864) &rst ixpk= 1864, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 92 GLU HA 92 GLU HG2 3.73 (#peak 815) &rst ixpk= 815, nxpk= 0, iat=1396,1401, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 92 GLU HA 92 GLU HG3 3.74 (#peak 817) &rst ixpk= 817, nxpk= 0, iat=1396,1402, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 92 GLU HB2 93 ASP HN 6.15 (#peak 603) &rst ixpk= 603, nxpk= 0, iat=1398,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 92 GLU HB3 93 ASP HN 6.15 (#peak 595) &rst ixpk= 595, nxpk= 0, iat=1399,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 92 GLU HG2 93 ASP HN 6.15 (#peak 599) &rst ixpk= 599, nxpk= 0, iat=1401,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 92 GLU HG3 93 ASP HN 6.15 (#peak 604) &rst ixpk= 604, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 93 ASP HN 94 ASN HN 4.85 (#peak 602) &rst ixpk= 602, nxpk= 0, iat=1409,1421, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 93 ASP HB2 94 ASN HN 6.15 (#peak 1306) &rst ixpk= 1306, nxpk= 0, iat=1413,1421, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 93 ASP HB3 94 ASN HN 5.83 (#peak 1304) &rst ixpk= 1304, nxpk= 0, iat=1414,1421, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 94 ASN HN 94 ASN HD21 5.72 (#peak 1300) &rst ixpk= 1300, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 94 ASN HA 94 ASN HD22 5.17 (#peak 1095) &rst ixpk= 1095, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 94 ASN HB3 95 ASN HN 6.15 (#peak 3388) &rst ixpk= 3388, nxpk= 0, iat=1426,1435, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 95 ASN HN 95 ASN HD21 6.15 (#peak 225) &rst ixpk= 225, nxpk= 0, iat=1435,1444, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 95 ASN HN 95 ASN HD22 4.82 (#peak 1942) &rst ixpk= 1942, nxpk= 0, iat=1435,1445, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 95 ASN HA 95 ASN HD22 6.06 (#peak 1945) &rst ixpk= 1945, nxpk= 0, iat=1437,1445, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 95 ASN HB2 95 ASN HD22 3.96 (#peak 1944) &rst ixpk= 1944, nxpk= 0, iat=1439,1445, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 97 LYS HN 97 LYS HG2 6.11 (#peak 903) &rst ixpk= 903, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 97 LYS HN 97 LYS HG3 6.14 (#peak 908) &rst ixpk= 908, nxpk= 0, iat=1468,1476, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end # # 97 LYS HN 97 LYS QD 6.15 (#peak 907) &rst ixpk= 907, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=1478,1479, &end # # 97 LYS HN 98 ASN HN 4.37 (#peak 906) &rst ixpk= 906, nxpk= 0, iat=1468,1490, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 97 LYS HA 97 LYS QD 6.08 (#peak 1048) &rst ixpk= 1048, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2=1478,1479, &end # # 97 LYS HA 97 LYS QE 4.27 (#peak 1822) &rst ixpk= 1822, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1481,1482, &end # # 97 LYS HB2 97 LYS QD 3.50 (#peak 4377) &rst ixpk= 4377, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1478,1479, &end # # 97 LYS HB2 97 LYS QE 3.90 (#peak 1823) &rst ixpk= 1823, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1481,1482, &end # # 97 LYS HB2 98 ASN HN 6.15 (#peak 1071) &rst ixpk= 1071, nxpk= 0, iat=1472,1490, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 97 LYS HB3 97 LYS QD 3.48 (#peak 3132) &rst ixpk= 3132, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr2=1478,1479, &end # # 97 LYS HB3 97 LYS QE 4.14 (#peak 1826) &rst ixpk= 1826, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1481,1482, &end # # 97 LYS HB3 98 ASN HN 6.15 (#peak 1070) &rst ixpk= 1070, nxpk= 0, iat=1473,1490, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 97 LYS HG2 97 LYS QE 3.93 (#peak 1824) &rst ixpk= 1824, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1481,1482, &end # # 97 LYS HG2 98 ASN HN 5.88 (#peak 1072) &rst ixpk= 1072, nxpk= 0, iat=1475,1490, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 97 LYS HG2 98 ASN HA 4.31 (#peak 5360) &rst ixpk= 5360, nxpk= 0, iat=1475,1492, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 97 LYS HG3 97 LYS QE 3.91 (#peak 1828) &rst ixpk= 1828, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1481,1482, &end # # 97 LYS HG3 98 ASN HN 4.41 (#peak 1081) &rst ixpk= 1081, nxpk= 0, iat=1476,1490, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 98 ASN HN 98 ASN HD21 5.78 (#peak 1695) &rst ixpk= 1695, nxpk= 0, iat=1490,1499, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 98 ASN HN 99 ALA HN 5.86 (#peak 1079) &rst ixpk= 1079, nxpk= 0, iat=1490,1504, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 98 ASN HA 98 ASN HD21 4.47 (#peak 1696) &rst ixpk= 1696, nxpk= 0, iat=1492,1499, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 98 ASN HA 98 ASN HD22 5.16 (#peak 2615) &rst ixpk= 2615, nxpk= 0, iat=1492,1500, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 98 ASN HB2 99 ALA HN 6.15 (#peak 1529) &rst ixpk= 1529, nxpk= 0, iat=1494,1504, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 98 ASN HB3 99 ALA HN 6.15 (#peak 1528) &rst ixpk= 1528, nxpk= 0, iat=1495,1504, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 99 ALA HN 100 SER HN 6.00 (#peak 1348) &rst ixpk= 1348, nxpk= 0, iat=1504,1514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 99 ALA HA 100 SER QB 4.65 (#peak 5364) &rst ixpk= 5364, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1518,1519, &end # # 99 ALA QB 100 SER HN 5.95 (#peak 1347) &rst ixpk= 1347, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=1508,1509,1510, &end # # 99 ALA QB 100 SER HA 4.99 (#peak 5363) &rst ixpk= 5363, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1508,1509,1510, &end # # 100 SER HA 101 LEU QD1 5.88 (#peak 5372) &rst ixpk= 5372, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr2=1534,1535,1536, &end # # 100 SER HA 101 LEU QD2 4.65 (#peak 5370) &rst ixpk= 5370, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1538,1539,1540, &end # # 100 SER QB 101 LEU HN 5.74 (#peak 879) &rst ixpk= 879, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1=1518,1519, &end # # 100 SER QB 101 LEU HB3 6.15 (#peak 5365) &rst ixpk= 5365, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=1518,1519, &end # # 100 SER QB 101 LEU QD1 5.93 (#peak 5367) &rst ixpk= 5367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49, igr1=1518,1519, igr2=1534,1535,1536, &end # # 100 SER QB 101 LEU QD2 5.46 (#peak 5366) &rst ixpk= 5366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, igr1=1518,1519, igr2=1538,1539,1540, &end # # 101 LEU HN 101 LEU HG 5.91 (#peak 883) &rst ixpk= 883, nxpk= 0, iat=1525,1532, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 101 LEU HN 101 LEU QD1 5.74 (#peak 880) &rst ixpk= 880, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2=1534,1535,1536, &end # # 101 LEU HN 101 LEU QD2 5.79 (#peak 882) &rst ixpk= 882, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr2=1538,1539,1540, &end # # 101 LEU HN 102 VAL HN 6.15 (#peak 1932) &rst ixpk= 1932, nxpk= 0, iat=1525,1544, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 101 LEU HA 101 LEU HG 3.75 (#peak 523) &rst ixpk= 523, nxpk= 0, iat=1527,1532, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 101 LEU HA 101 LEU QD1 4.34 (#peak 522) &rst ixpk= 522, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1534,1535,1536, &end # # 101 LEU HA 101 LEU QD2 3.81 (#peak 3614) &rst ixpk= 3614, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1538,1539,1540, &end # # 101 LEU HB2 101 LEU QD1 3.24 (#peak 754) &rst ixpk= 754, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1534,1535,1536, &end # # 101 LEU HB2 101 LEU QD2 3.61 (#peak 1390) &rst ixpk= 1390, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1538,1539,1540, &end # # 101 LEU HB2 102 VAL HN 6.06 (#peak 1941) &rst ixpk= 1941, nxpk= 0, iat=1529,1544, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 101 LEU HB3 101 LEU QD1 3.94 (#peak 756) &rst ixpk= 756, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1534,1535,1536, &end # # 101 LEU HB3 101 LEU QD2 3.24 (#peak 3316) &rst ixpk= 3316, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1538,1539,1540, &end # # 101 LEU HB3 102 VAL HN 6.09 (#peak 1939) &rst ixpk= 1939, nxpk= 0, iat=1530,1544, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 101 LEU HG 102 VAL HN 4.57 (#peak 1937) &rst ixpk= 1937, nxpk= 0, iat=1532,1544, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 101 LEU QD2 102 VAL HN 5.95 (#peak 1936) &rst ixpk= 1936, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=1538,1539,1540, &end # # 101 LEU QD2 102 VAL HB 6.15 (#peak 5374) &rst ixpk= 5374, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1538,1539,1540, &end # # 102 VAL HN 102 VAL QQG 5.21 (#peak 1933) &rst ixpk= 1933, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr2=1550,1551,1552,1554,1555,1556, &end # # 102 VAL HN 103 GLN HN 5.92 (#peak 1989) &rst ixpk= 1989, nxpk= 0, iat=1544,1560, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 102 VAL HN 103 GLN HE21 6.15 (#peak 2311) &rst ixpk= 2311, nxpk= 0, iat=1544,1572, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 102 VAL HA 102 VAL QQG 3.81 (#peak 3429) &rst ixpk= 3429, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1550,1551,1552,1554,1555,1556, &end # # 102 VAL QQG 103 GLN HN 6.15 (#peak 1985) &rst ixpk= 1985, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr1=1550,1551,1552,1554,1555,1556, &end # # 103 GLN HN 103 GLN QG 5.84 (#peak 1988) &rst ixpk= 1988, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=1567,1568, &end # # 103 GLN HA 103 GLN HE22 6.15 (#peak 506) &rst ixpk= 506, nxpk= 0, iat=1562,1573, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 103 GLN HA 103 GLN QG 3.85 (#peak 3350) &rst ixpk= 3350, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2=1567,1568, &end # # 103 GLN HA 104 ILE HB 5.17 (#peak 5630) &rst ixpk= 5630, nxpk= 0, iat=1562,1581, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 103 GLN HB2 103 GLN HE21 3.94 (#peak 342) &rst ixpk= 342, nxpk= 0, iat=1564,1572, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 103 GLN HB2 103 GLN HE22 3.93 (#peak 1623) &rst ixpk= 1623, nxpk= 0, iat=1564,1573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 103 GLN HB2 103 GLN QG 3.00 (#peak 1432) &rst ixpk= 1432, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=1567,1568, &end # # 103 GLN HB2 104 ILE HN 5.75 (#peak 513) &rst ixpk= 513, nxpk= 0, iat=1564,1577, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 103 GLN HB3 103 GLN HE21 4.93 (#peak 340) &rst ixpk= 340, nxpk= 0, iat=1565,1572, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 103 GLN HB3 103 GLN HE22 6.11 (#peak 1621) &rst ixpk= 1621, nxpk= 0, iat=1565,1573, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 103 GLN HB3 104 ILE HN 4.87 (#peak 510) &rst ixpk= 510, nxpk= 0, iat=1565,1577, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 103 GLN QG 103 GLN HE21 3.86 (#peak 344) &rst ixpk= 344, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=1567,1568, &end # # 103 GLN QG 104 ILE HN 6.15 (#peak 518) &rst ixpk= 518, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=1567,1568, &end # # 104 ILE HN 104 ILE HG12 6.01 (#peak 511) &rst ixpk= 511, nxpk= 0, iat=1577,1587, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 104 ILE HN 104 ILE HG13 5.78 (#peak 519) &rst ixpk= 519, nxpk= 0, iat=1577,1588, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 104 ILE HN 104 ILE QD1 6.15 (#peak 516) &rst ixpk= 516, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1590,1591,1592, &end # # 104 ILE HN 104 ILE QG2 6.15 (#peak 514) &rst ixpk= 514, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1583,1584,1585, &end # # 104 ILE HN 105 ASP HN 6.15 (#peak 521) &rst ixpk= 521, nxpk= 0, iat=1577,1596, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 104 ILE HA 104 ILE QD1 4.13 (#peak 736) &rst ixpk= 736, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1590,1591,1592, &end # # 104 ILE HA 106 ALA HN 4.08 (#peak 2530) &rst ixpk= 2530, nxpk= 0, iat=1579,1608, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 104 ILE HB 104 ILE QD1 3.80 (#peak 4129) &rst ixpk= 4129, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=1590,1591,1592, &end # # 104 ILE HB 105 ASP HN 5.83 (#peak 2185) &rst ixpk= 2185, nxpk= 0, iat=1581,1596, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 104 ILE HB 106 ALA HN 5.66 (#peak 2647) &rst ixpk= 2647, nxpk= 0, iat=1581,1608, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 104 ILE HG12 105 ASP HN 6.15 (#peak 2179) &rst ixpk= 2179, nxpk= 0, iat=1587,1596, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 104 ILE QD1 105 ASP HN 5.85 (#peak 2184) &rst ixpk= 2184, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1=1590,1591,1592, &end # # 104 ILE QG2 104 ILE HG12 3.15 (#peak 3597) &rst ixpk= 3597, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1=1583,1584,1585, &end # # 104 ILE QG2 104 ILE HG13 3.28 (#peak 1188) &rst ixpk= 1188, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=1583,1584,1585, &end # # 104 ILE QG2 104 ILE QD1 2.40 (#peak 734) &rst ixpk= 734, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1=1583,1584,1585, igr2=1590,1591,1592, &end # # 104 ILE QG2 105 ASP HN 5.76 (#peak 2182) &rst ixpk= 2182, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=1583,1584,1585, &end # # 105 ASP HA 107 SER HN 6.15 (#peak 2531) &rst ixpk= 2531, nxpk= 0, iat=1598,1618, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 105 ASP HB2 106 ALA HN 4.28 (#peak 1725) &rst ixpk= 1725, nxpk= 0, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 105 ASP HB3 106 ALA HN 4.05 (#peak 1727) &rst ixpk= 1727, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 105 ASP HB3 106 ALA HA 5.55 (#peak 5378) &rst ixpk= 5378, nxpk= 0, iat=1601,1610, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 106 ALA HN 106 ALA QB 3.52 (#peak 1724) &rst ixpk= 1724, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1612,1613,1614, &end # # 106 ALA QB 107 SER HN 5.32 (#peak 1226) &rst ixpk= 1226, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=1612,1613,1614, &end # # 107 SER HN 107 SER HB2 4.04 (#peak 1229) &rst ixpk= 1229, nxpk= 0, iat=1618,1622, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 107 SER HN 107 SER HB3 3.92 (#peak 1227) &rst ixpk= 1227, nxpk= 0, iat=1618,1623, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 107 SER HB2 108 ASN HN 6.15 (#peak 1690) &rst ixpk= 1690, nxpk= 0, iat=1622,1629, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 108 ASN HN 108 ASN HD21 6.15 (#peak 2083) &rst ixpk= 2083, nxpk= 0, iat=1629,1638, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 108 ASN HA 108 ASN HD21 6.15 (#peak 2084) &rst ixpk= 2084, nxpk= 0, iat=1631,1638, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 108 ASN HA 108 ASN HD22 5.95 (#peak 720) &rst ixpk= 720, nxpk= 0, iat=1631,1639, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 108 ASN HB2 109 GLU HN 5.68 (#peak 837) &rst ixpk= 837, nxpk= 0, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 108 ASN HB3 109 GLU HN 5.79 (#peak 833) &rst ixpk= 833, nxpk= 0, iat=1634,1643, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 109 GLU HN 109 GLU HB3 4.02 (#peak 838) &rst ixpk= 838, nxpk= 0, iat=1643,1648, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 109 GLU HN 109 GLU HG2 5.14 (#peak 841) &rst ixpk= 841, nxpk= 0, iat=1643,1650, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 109 GLU HN 109 GLU HG3 5.08 (#peak 836) &rst ixpk= 836, nxpk= 0, iat=1643,1651, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 109 GLU HB2 109 GLU HG3 2.53 (#peak 3861) &rst ixpk= 3861, nxpk= 0, iat=1647,1651, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end # # 109 GLU HB3 110 GLN HN 6.15 (#peak 16) &rst ixpk= 16, nxpk= 0, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 109 GLU HG3 110 GLN HN 5.90 (#peak 13) &rst ixpk= 13, nxpk= 0, iat=1651,1658, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 110 GLN HN 110 GLN QG 5.91 (#peak 15) &rst ixpk= 15, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2=1665,1666, &end # # 110 GLN HA 110 GLN QG 4.21 (#peak 3495) &rst ixpk= 3495, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1665,1666, &end # # 110 GLN HB2 111 SER HB2 4.87 (#peak 5380) &rst ixpk= 5380, nxpk= 0, iat=1662,1679, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 111 SER HN 112 SER HN 6.15 (#peak 1038) &rst ixpk= 1038, nxpk= 0, iat=1675,1686, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 111 SER HA 111 SER HB3 2.90 (#peak 3160) &rst ixpk= 3160, nxpk= 0, iat=1677,1680, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 112 SER HB3 113 THR HA 5.52 (#peak 5381) &rst ixpk= 5381, nxpk= 0, iat=1691,1699, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 113 THR HN 113 THR QG2 6.15 (#peak 1906) &rst ixpk= 1906, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1703,1704,1705, &end # # 116 SER HN 117 MET HN 6.03 (#peak 301) &rst ixpk= 301, nxpk= 0, iat=1733,1744, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 116 SER HA 119 ILE HG13 5.11 (#peak 5574) &rst ixpk= 5574, nxpk= 0, iat=1735,1791, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 116 SER QB 117 MET HN 6.12 (#peak 745) &rst ixpk= 745, nxpk= 0, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1=1737,1738, &end # # 117 MET HN 117 MET HG2 6.15 (#peak 746) &rst ixpk= 746, nxpk= 0, iat=1744,1751, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 117 MET HN 117 MET HG3 6.15 (#peak 753) &rst ixpk= 753, nxpk= 0, iat=1744,1752, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 117 MET HN 118 ILE HN 5.76 (#peak 752) &rst ixpk= 752, nxpk= 0, iat=1744,1761, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 117 MET HB2 118 ILE HN 6.15 (#peak 1822) &rst ixpk= 1822, nxpk= 0, iat=1748,1761, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 117 MET HG2 118 ILE HN 6.01 (#peak 1815) &rst ixpk= 1815, nxpk= 0, iat=1751,1761, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 117 MET HG3 118 ILE HN 5.67 (#peak 1824) &rst ixpk= 1824, nxpk= 0, iat=1752,1761, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end # # 118 ILE HN 118 ILE HG12 5.83 (#peak 1818) &rst ixpk= 1818, nxpk= 0, iat=1761,1771, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 118 ILE HN 118 ILE HG13 6.15 (#peak 1814) &rst ixpk= 1814, nxpk= 0, iat=1761,1772, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 118 ILE HN 118 ILE QD1 5.82 (#peak 1812) &rst ixpk= 1812, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr2=1774,1775,1776, &end # # 118 ILE HN 118 ILE QG2 6.11 (#peak 1820) &rst ixpk= 1820, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr2=1767,1768,1769, &end # # 118 ILE HN 119 ILE HN 5.92 (#peak 2202) &rst ixpk= 2202, nxpk= 0, iat=1761,1780, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 118 ILE HA 118 ILE QD1 4.26 (#peak 2595) &rst ixpk= 2595, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=1774,1775,1776, &end # # 118 ILE HA 118 ILE QG2 3.94 (#peak 2602) &rst ixpk= 2602, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1767,1768,1769, &end # # 118 ILE HA 121 ALA HN 6.15 (#peak 2501) &rst ixpk= 2501, nxpk= 0, iat=1763,1811, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 118 ILE HB 118 ILE QD1 3.44 (#peak 1273) &rst ixpk= 1273, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1774,1775,1776, &end # # 118 ILE HB 119 ILE HN 6.15 (#peak 2201) &rst ixpk= 2201, nxpk= 0, iat=1765,1780, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 118 ILE HG12 119 ILE HN 6.15 (#peak 2197) &rst ixpk= 2197, nxpk= 0, iat=1771,1780, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 118 ILE HG13 119 ILE HN 5.81 (#peak 2192) &rst ixpk= 2192, nxpk= 0, iat=1772,1780, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 118 ILE QD1 119 ILE HN 6.14 (#peak 2190) &rst ixpk= 2190, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1=1774,1775,1776, &end # # 118 ILE QG2 118 ILE HG12 3.44 (#peak 3341) &rst ixpk= 3341, nxpk= 0, iat= -1,1771, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1=1767,1768,1769, &end # # 118 ILE QG2 118 ILE HG13 3.36 (#peak 3337) &rst ixpk= 3337, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1767,1768,1769, &end # # 118 ILE QG2 118 ILE QD1 3.79 (#peak 3336) &rst ixpk= 3336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=1767,1768,1769, igr2=1774,1775,1776, &end # # 118 ILE QG2 119 ILE HN 6.15 (#peak 2200) &rst ixpk= 2200, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1767,1768,1769, &end # # 119 ILE HN 119 ILE HG12 6.15 (#peak 2203) &rst ixpk= 2203, nxpk= 0, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 119 ILE HN 119 ILE HG13 6.15 (#peak 2199) &rst ixpk= 2199, nxpk= 0, iat=1780,1791, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 119 ILE HN 119 ILE QD1 4.19 (#peak 2196) &rst ixpk= 2196, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1793,1794,1795, &end # # 119 ILE HN 119 ILE QG2 6.15 (#peak 2198) &rst ixpk= 2198, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1786,1787,1788, &end # # 119 ILE HN 120 ASP HN 5.86 (#peak 2195) &rst ixpk= 2195, nxpk= 0, iat=1780,1799, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 119 ILE HA 119 ILE HG12 4.18 (#peak 151) &rst ixpk= 151, nxpk= 0, iat=1782,1790, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 119 ILE HA 119 ILE HG13 3.70 (#peak 155) &rst ixpk= 155, nxpk= 0, iat=1782,1791, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 119 ILE HA 119 ILE QD1 3.78 (#peak 150) &rst ixpk= 150, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=1793,1794,1795, &end # # 119 ILE HA 119 ILE QG2 3.61 (#peak 153) &rst ixpk= 153, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1786,1787,1788, &end # # 119 ILE HB 119 ILE QD1 3.28 (#peak 647) &rst ixpk= 647, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2=1793,1794,1795, &end # # 119 ILE HB 120 ASP HN 4.62 (#peak 669) &rst ixpk= 669, nxpk= 0, iat=1784,1799, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 119 ILE HG12 120 ASP HN 6.15 (#peak 674) &rst ixpk= 674, nxpk= 0, iat=1790,1799, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 119 ILE QD1 120 ASP HN 4.52 (#peak 671) &rst ixpk= 671, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1=1793,1794,1795, &end # # 119 ILE QD1 120 ASP HB2 4.31 (#peak 5385) &rst ixpk= 5385, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=1793,1794,1795, &end # # 119 ILE QD1 120 ASP HB3 4.85 (#peak 5386) &rst ixpk= 5386, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1=1793,1794,1795, &end # # 119 ILE QG2 119 ILE HG12 3.49 (#peak 3051) &rst ixpk= 3051, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1=1786,1787,1788, &end # # 119 ILE QG2 120 ASP HN 4.60 (#peak 672) &rst ixpk= 672, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=1786,1787,1788, &end # # 120 ASP HN 120 ASP HB3 4.15 (#peak 673) &rst ixpk= 673, nxpk= 0, iat=1799,1804, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 120 ASP HA 122 GLN HN 6.15 (#peak 2502) &rst ixpk= 2502, nxpk= 0, iat=1801,1821, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 120 ASP HA 123 ILE HB 4.31 (#peak 5562) &rst ixpk= 5562, nxpk= 0, iat=1801,1842, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 120 ASP HB2 121 ALA HN 4.65 (#peak 124) &rst ixpk= 124, nxpk= 0, iat=1803,1811, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 120 ASP HB2 121 ALA QB 5.78 (#peak 5388) &rst ixpk= 5388, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr2=1815,1816,1817, &end # # 120 ASP HB3 121 ALA HN 4.52 (#peak 123) &rst ixpk= 123, nxpk= 0, iat=1804,1811, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 120 ASP HB3 121 ALA QB 5.65 (#peak 5387) &rst ixpk= 5387, nxpk= 0, iat=1804, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr2=1815,1816,1817, &end # # 121 ALA HN 121 ALA QB 3.89 (#peak 122) &rst ixpk= 122, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1815,1816,1817, &end # # 121 ALA HA 124 SER HN 6.13 (#peak 2503) &rst ixpk= 2503, nxpk= 0, iat=1813,1857, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end # # 121 ALA QB 122 GLN HN 4.17 (#peak 615) &rst ixpk= 615, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=1815,1816,1817, &end # # 121 ALA QB 122 GLN HE21 5.79 (#peak 2524) &rst ixpk= 2524, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1=1815,1816,1817, &end # # 121 ALA QB 122 GLN HE22 6.15 (#peak 2525) &rst ixpk= 2525, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1815,1816,1817, &end # # 122 GLN HN 122 GLN HB2 4.02 (#peak 606) &rst ixpk= 606, nxpk= 0, iat=1821,1825, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 122 GLN HN 122 GLN HB3 4.01 (#peak 611) &rst ixpk= 611, nxpk= 0, iat=1821,1826, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 122 GLN HN 122 GLN HG2 6.15 (#peak 607) &rst ixpk= 607, nxpk= 0, iat=1821,1828, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 122 GLN HN 122 GLN HG3 4.90 (#peak 612) &rst ixpk= 612, nxpk= 0, iat=1821,1829, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 122 GLN HN 123 ILE HN 5.89 (#peak 617) &rst ixpk= 617, nxpk= 0, iat=1821,1838, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 122 GLN HA 122 GLN HE21 6.04 (#peak 998) &rst ixpk= 998, nxpk= 0, iat=1823,1833, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end # # 122 GLN HA 124 SER HN 5.95 (#peak 2535) &rst ixpk= 2535, nxpk= 0, iat=1823,1857, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 122 GLN HA 125 ASN HN 6.15 (#peak 2496) &rst ixpk= 2496, nxpk= 0, iat=1823,1868, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 122 GLN HA 125 ASN HB3 5.02 (#peak 5559) &rst ixpk= 5559, nxpk= 0, iat=1823,1873, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 122 GLN HB2 122 GLN HE21 6.15 (#peak 991) &rst ixpk= 991, nxpk= 0, iat=1825,1833, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 122 GLN HB2 122 GLN HE22 4.89 (#peak 964) &rst ixpk= 964, nxpk= 0, iat=1825,1834, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 122 GLN HB2 123 ILE HN 6.15 (#peak 1948) &rst ixpk= 1948, nxpk= 0, iat=1825,1838, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 122 GLN HB3 122 GLN HE21 6.07 (#peak 994) &rst ixpk= 994, nxpk= 0, iat=1826,1833, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end # # 122 GLN HB3 122 GLN HE22 4.52 (#peak 967) &rst ixpk= 967, nxpk= 0, iat=1826,1834, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 122 GLN HB3 123 ILE HN 6.15 (#peak 1952) &rst ixpk= 1952, nxpk= 0, iat=1826,1838, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 122 GLN HB3 123 ILE HG12 5.80 (#peak 5391) &rst ixpk= 5391, nxpk= 0, iat=1826,1848, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 122 GLN HG2 123 ILE HN 5.79 (#peak 1949) &rst ixpk= 1949, nxpk= 0, iat=1828,1838, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 122 GLN HG3 123 ILE HN 6.15 (#peak 1955) &rst ixpk= 1955, nxpk= 0, iat=1829,1838, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 122 GLN HG3 123 ILE HG13 6.04 (#peak 5393) &rst ixpk= 5393, nxpk= 0, iat=1829,1849, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end # # 123 ILE HN 123 ILE HG12 5.78 (#peak 1962) &rst ixpk= 1962, nxpk= 0, iat=1838,1848, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 123 ILE HN 123 ILE HG13 4.68 (#peak 2099) &rst ixpk= 2099, nxpk= 0, iat=1838,1849, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 123 ILE HN 123 ILE QD1 4.19 (#peak 1953) &rst ixpk= 1953, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1851,1852,1853, &end # # 123 ILE HN 123 ILE QG2 6.15 (#peak 1954) &rst ixpk= 1954, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1844,1845,1846, &end # # 123 ILE HN 124 SER HN 5.82 (#peak 1950) &rst ixpk= 1950, nxpk= 0, iat=1838,1857, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 123 ILE HA 123 ILE QD1 5.16 (#peak 1128) &rst ixpk= 1128, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=1851,1852,1853, &end # # 123 ILE HA 123 ILE QG2 3.99 (#peak 4042) &rst ixpk= 4042, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1844,1845,1846, &end # # 123 ILE HA 126 ALA QB 4.38 (#peak 5560) &rst ixpk= 5560, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1886,1887,1888, &end # # 123 ILE HB 123 ILE QD1 3.39 (#peak 3077) &rst ixpk= 3077, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1851,1852,1853, &end # # 123 ILE HB 124 SER HN 3.84 (#peak 248) &rst ixpk= 248, nxpk= 0, iat=1842,1857, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 123 ILE HB 124 SER HA 4.65 (#peak 5394) &rst ixpk= 5394, nxpk= 0, iat=1842,1859, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 123 ILE HG12 124 SER HN 6.15 (#peak 253) &rst ixpk= 253, nxpk= 0, iat=1848,1857, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 123 ILE QD1 124 SER HN 4.92 (#peak 246) &rst ixpk= 246, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1=1851,1852,1853, &end # # 123 ILE QG2 123 ILE HG12 3.52 (#peak 4041) &rst ixpk= 4041, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1844,1845,1846, &end # # 123 ILE QG2 123 ILE HG13 3.34 (#peak 2105) &rst ixpk= 2105, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1=1844,1845,1846, &end # # 123 ILE QG2 123 ILE QD1 3.19 (#peak 1578) &rst ixpk= 1578, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=1844,1845,1846, igr2=1851,1852,1853, &end # # 123 ILE QG2 124 SER HN 4.90 (#peak 247) &rst ixpk= 247, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1844,1845,1846, &end # # 124 SER HN 124 SER QB 3.54 (#peak 245) &rst ixpk= 245, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2=1861,1862, &end # # 124 SER QB 125 ASN HN 6.15 (#peak 155) &rst ixpk= 155, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=1861,1862, &end # # 125 ASN HN 126 ALA HN 6.10 (#peak 158) &rst ixpk= 158, nxpk= 0, iat=1868,1882, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 125 ASN HA 126 ALA HA 4.87 (#peak 5602) &rst ixpk= 5602, nxpk= 0, iat=1870,1884, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 125 ASN HA 126 ALA QB 5.13 (#peak 5652) &rst ixpk= 5652, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1886,1887,1888, &end # # 125 ASN HA 127 LEU HN 5.73 (#peak 2497) &rst ixpk= 2497, nxpk= 0, iat=1870,1892, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 125 ASN HB2 126 ALA HN 4.54 (#peak 1163) &rst ixpk= 1163, nxpk= 0, iat=1872,1882, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 125 ASN HB3 126 ALA HN 5.33 (#peak 1162) &rst ixpk= 1162, nxpk= 0, iat=1873,1882, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 125 ASN HB3 126 ALA HA 5.70 (#peak 5395) &rst ixpk= 5395, nxpk= 0, iat=1873,1884, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 125 ASN HB3 126 ALA QB 5.63 (#peak 5396) &rst ixpk= 5396, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr2=1886,1887,1888, &end # # 125 ASN HB3 127 LEU HN 5.84 (#peak 2499) &rst ixpk= 2499, nxpk= 0, iat=1873,1892, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 126 ALA HN 126 ALA QB 3.32 (#peak 1165) &rst ixpk= 1165, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=1886,1887,1888, &end # # 126 ALA QB 127 LEU HN 5.82 (#peak 1500) &rst ixpk= 1500, nxpk= 0, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1=1886,1887,1888, &end # # 127 LEU HN 127 LEU HG 5.95 (#peak 1496) &rst ixpk= 1496, nxpk= 0, iat=1892,1899, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 127 LEU HN 127 LEU QD1 6.15 (#peak 1497) &rst ixpk= 1497, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1901,1902,1903, &end # # 127 LEU HN 128 ASN HN 5.97 (#peak 1494) &rst ixpk= 1494, nxpk= 0, iat=1892,1911, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 127 LEU HA 127 LEU QD1 3.91 (#peak 1926) &rst ixpk= 1926, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1901,1902,1903, &end # # 127 LEU HB2 127 LEU QD1 3.44 (#peak 1927) &rst ixpk= 1927, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1901,1902,1903, &end # # 127 LEU HB2 128 ASN HN 5.73 (#peak 388) &rst ixpk= 388, nxpk= 0, iat=1896,1911, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 127 LEU HB3 127 LEU QD1 3.42 (#peak 1925) &rst ixpk= 1925, nxpk= 0, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1901,1902,1903, &end # # 127 LEU HB3 128 ASN HN 5.75 (#peak 378) &rst ixpk= 378, nxpk= 0, iat=1897,1911, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 127 LEU HG 128 ASN HN 5.95 (#peak 379) &rst ixpk= 379, nxpk= 0, iat=1899,1911, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 127 LEU QD1 128 ASN HN 5.78 (#peak 380) &rst ixpk= 380, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1=1901,1902,1903, &end # # 128 ASN HN 128 ASN HD22 6.09 (#peak 386) &rst ixpk= 386, nxpk= 0, iat=1911,1921, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 128 ASN HN 129 ALA HN 5.78 (#peak 844) &rst ixpk= 844, nxpk= 0, iat=1911,1925, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 128 ASN HA 128 ASN HD21 6.15 (#peak 593) &rst ixpk= 593, nxpk= 0, iat=1913,1920, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 128 ASN HA 129 ALA HN 3.54 (#peak 849) &rst ixpk= 849, nxpk= 0, iat=1913,1925, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 128 ASN HB2 129 ALA HN 4.50 (#peak 843) &rst ixpk= 843, nxpk= 0, iat=1915,1925, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 ASN HB2 129 ALA HA 6.15 (#peak 6453) &rst ixpk= 6453, nxpk= 0, iat=1915,1927, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 128 ASN HB3 129 ALA HN 4.62 (#peak 848) &rst ixpk= 848, nxpk= 0, iat=1916,1925, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 128 ASN HB3 129 ALA HA 6.15 (#peak 6454) &rst ixpk= 6454, nxpk= 0, iat=1916,1927, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 129 ALA QB 130 GLN HN 5.84 (#peak 333) &rst ixpk= 333, nxpk= 0, iat= -1,1935, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1=1929,1930,1931, &end # # 129 ALA QB 130 GLN HA 5.42 (#peak 5603) &rst ixpk= 5603, nxpk= 0, iat= -1,1937, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1929,1930,1931, &end # # 129 ALA QB 130 GLN HG3 5.60 (#peak 5651) &rst ixpk= 5651, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1929,1930,1931, &end # # 129 ALA QB 131 GLN HA 4.81 (#peak 5650) &rst ixpk= 5650, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1929,1930,1931, &end # # 130 GLN HN 130 GLN HE22 6.15 (#peak 328) &rst ixpk= 328, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 130 GLN HN 130 GLN HG2 5.92 (#peak 332) &rst ixpk= 332, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 130 GLN HN 130 GLN HG3 6.15 (#peak 338) &rst ixpk= 338, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 130 GLN HN 131 GLN HN 5.91 (#peak 331) &rst ixpk= 331, nxpk= 0, iat=1935,1952, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 130 GLN HA 130 GLN HE22 5.73 (#peak 206) &rst ixpk= 206, nxpk= 0, iat=1937,1948, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 130 GLN HA 130 GLN HG3 4.07 (#peak 357) &rst ixpk= 357, nxpk= 0, iat=1937,1943, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 130 GLN HA 131 GLN HA 6.15 (#peak 5628) &rst ixpk= 5628, nxpk= 0, iat=1937,1954, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 130 GLN HB2 130 GLN HE21 5.04 (#peak 1605) &rst ixpk= 1605, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 130 GLN HB2 130 GLN HE22 5.34 (#peak 4140) &rst ixpk= 4140, nxpk= 0, iat=1939,1948, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 130 GLN HB2 131 GLN HN 5.92 (#peak 507) &rst ixpk= 507, nxpk= 0, iat=1939,1952, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 130 GLN HB3 130 GLN HE21 5.10 (#peak 1599) &rst ixpk= 1599, nxpk= 0, iat=1940,1947, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 130 GLN HB3 130 GLN HE22 5.79 (#peak 203) &rst ixpk= 203, nxpk= 0, iat=1940,1948, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 130 GLN HB3 130 GLN HG3 2.98 (#peak 670) &rst ixpk= 670, nxpk= 0, iat=1940,1943, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 131 GLN HN 131 GLN HE21 6.15 (#peak 508) &rst ixpk= 508, nxpk= 0, iat=1952,1964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 131 GLN HN 131 GLN HE22 6.15 (#peak 500) &rst ixpk= 500, nxpk= 0, iat=1952,1965, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 131 GLN HN 131 GLN HG2 6.15 (#peak 502) &rst ixpk= 502, nxpk= 0, iat=1952,1959, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 131 GLN HN 131 GLN HG3 5.89 (#peak 505) &rst ixpk= 505, nxpk= 0, iat=1952,1960, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 131 GLN HN 132 TYR HN 6.11 (#peak 495) &rst ixpk= 495, nxpk= 0, iat=1952,1969, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 131 GLN HA 131 GLN HE21 5.71 (#peak 1922) &rst ixpk= 1922, nxpk= 0, iat=1954,1964, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 131 GLN HA 131 GLN HG3 4.13 (#peak 1228) &rst ixpk= 1228, nxpk= 0, iat=1954,1960, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 131 GLN HA 132 TYR HN 3.23 (#peak 269) &rst ixpk= 269, nxpk= 0, iat=1954,1969, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 131 GLN HB2 131 GLN HE21 4.93 (#peak 1929) &rst ixpk= 1929, nxpk= 0, iat=1956,1964, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 131 GLN HB2 131 GLN HE22 4.31 (#peak 577) &rst ixpk= 577, nxpk= 0, iat=1956,1965, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 131 GLN HB2 132 TYR HN 6.01 (#peak 281) &rst ixpk= 281, nxpk= 0, iat=1956,1969, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 131 GLN HB3 131 GLN HE21 4.54 (#peak 1926) &rst ixpk= 1926, nxpk= 0, iat=1957,1964, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 131 GLN HB3 131 GLN HE22 5.07 (#peak 574) &rst ixpk= 574, nxpk= 0, iat=1957,1965, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 131 GLN HB3 132 TYR HN 5.46 (#peak 279) &rst ixpk= 279, nxpk= 0, iat=1957,1969, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 131 GLN HG2 131 GLN HE21 3.94 (#peak 1925) &rst ixpk= 1925, nxpk= 0, iat=1959,1964, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 131 GLN HG2 131 GLN HE22 4.08 (#peak 573) &rst ixpk= 573, nxpk= 0, iat=1959,1965, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 131 GLN HG2 132 TYR HN 6.15 (#peak 274) &rst ixpk= 274, nxpk= 0, iat=1959,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 131 GLN HG3 131 GLN HE21 3.85 (#peak 1927) &rst ixpk= 1927, nxpk= 0, iat=1960,1964, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 131 GLN HG3 132 TYR HN 6.15 (#peak 280) &rst ixpk= 280, nxpk= 0, iat=1960,1969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 132 TYR HN 132 TYR QD 6.15 (#peak 276) &rst ixpk= 276, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=1977,1986, &end # # 132 TYR HN 133 LYS HN 6.11 (#peak 1533) &rst ixpk= 1533, nxpk= 0, iat=1969,1990, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 132 TYR HN 77 VAL O 2.4 &rst ixpk= 1533, nxpk= 0, iat=1969,1161, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 132 TYR HA 133 LYS HA 5.55 (#peak 4914) &rst ixpk= 4914, nxpk= 0, iat=1971,1992, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 132 TYR HB2 133 LYS HN 6.15 (#peak 1535) &rst ixpk= 1535, nxpk= 0, iat=1973,1990, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 132 TYR HB2 133 LYS HA 5.97 (#peak 4913) &rst ixpk= 4913, nxpk= 0, iat=1973,1992, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 132 TYR HB3 133 LYS HN 6.15 (#peak 1541) &rst ixpk= 1541, nxpk= 0, iat=1974,1990, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 132 TYR HB3 133 LYS HA 5.73 (#peak 4912) &rst ixpk= 4912, nxpk= 0, iat=1974,1992, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 132 TYR N 77 VAL O 3.3 &rst ixpk= 4912, nxpk= 0, iat=1968,1161, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 132 TYR QD 133 LYS HN 6.00 (#peak 1540) &rst ixpk= 1540, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1977,1986, &end # # 133 LYS HN 133 LYS HG2 6.01 (#peak 1545) &rst ixpk= 1545, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 133 LYS HN 133 LYS HG3 6.15 (#peak 1539) &rst ixpk= 1539, nxpk= 0, iat=1990,1998, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 133 LYS HN 133 LYS QD 6.10 (#peak 1544) &rst ixpk= 1544, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=2000,2001, &end # # 133 LYS HN 134 VAL HN 6.01 (#peak 1534) &rst ixpk= 1534, nxpk= 0, iat=1990,2012, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 133 LYS HN 173 ASP HN 5.76 (#peak 2265) &rst ixpk= 2265, nxpk= 0, iat=1990,2643, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 133 LYS HN 173 ASP HA 6.15 (#peak 2414) &rst ixpk= 2414, nxpk= 0, iat=1990,2645, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 133 LYS HA 133 LYS QD 4.81 (#peak 2330) &rst ixpk= 2330, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2000,2001, &end # # 133 LYS HB2 134 VAL HN 6.15 (#peak 427) &rst ixpk= 427, nxpk= 0, iat=1994,2012, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 133 LYS HB2 173 ASP HA 5.13 (#peak 6126) &rst ixpk= 6126, nxpk= 0, iat=1994,2645, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 133 LYS HB3 133 LYS QD 4.00 (#peak 490) &rst ixpk= 490, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=2000,2001, &end # # 133 LYS HB3 134 VAL HN 5.94 (#peak 428) &rst ixpk= 428, nxpk= 0, iat=1995,2012, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 133 LYS HB3 173 ASP HN 5.10 (#peak 2264) &rst ixpk= 2264, nxpk= 0, iat=1995,2643, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 133 LYS HB3 173 ASP HA 4.31 (#peak 6125) &rst ixpk= 6125, nxpk= 0, iat=1995,2645, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 133 LYS HG2 133 LYS QD 2.99 (#peak 550) &rst ixpk= 550, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2000,2001, &end # # 133 LYS HG2 134 VAL HN 5.76 (#peak 436) &rst ixpk= 436, nxpk= 0, iat=1997,2012, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 133 LYS HG3 134 VAL HN 6.00 (#peak 431) &rst ixpk= 431, nxpk= 0, iat=1998,2012, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 134 VAL HN 134 VAL QG1 6.07 (#peak 426) &rst ixpk= 426, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr2=2018,2019,2020, &end # # 134 VAL HN 134 VAL QG2 5.90 (#peak 432) &rst ixpk= 432, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2022,2023,2024, &end # # 134 VAL HN 135 LEU HN 6.09 (#peak 365) &rst ixpk= 365, nxpk= 0, iat=2012,2028, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 134 VAL HN 172 VAL HA 6.15 (#peak 435) &rst ixpk= 435, nxpk= 0, iat=2012,2629, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 134 VAL HN 75 CYS O 2.4 &rst ixpk= 435, nxpk= 0, iat=2012,1123, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 134 VAL HA 134 VAL QG2 4.12 (#peak 4333) &rst ixpk= 4333, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=2022,2023,2024, &end # # 134 VAL HA 172 VAL QG2 6.00 (#peak 4926) &rst ixpk= 4926, nxpk= 0, iat=2014, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2637,2638,2639, &end # # 134 VAL HA 173 ASP HN 4.72 (#peak 540) &rst ixpk= 540, nxpk= 0, iat=2014,2643, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 134 VAL N 75 CYS O 3.3 &rst ixpk= 540, nxpk= 0, iat=2011,1123, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 134 VAL QG1 135 LEU HN 6.15 (#peak 367) &rst ixpk= 367, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2018,2019,2020, &end # # 134 VAL QG1 172 VAL QG1 5.68 (#peak 4931) &rst ixpk= 4931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1=2018,2019,2020, igr2=2633,2634,2635, &end # # 134 VAL QG1 172 VAL QG2 5.99 (#peak 4927) &rst ixpk= 4927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1=2018,2019,2020, igr2=2637,2638,2639, &end # # 134 VAL QG2 135 LEU HN 6.15 (#peak 370) &rst ixpk= 370, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2022,2023,2024, &end # # 134 VAL QG2 171 ALA HN 6.15 (#peak 2300) &rst ixpk= 2300, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2022,2023,2024, &end # # 134 VAL QG2 172 VAL QG1 5.74 (#peak 4930) &rst ixpk= 4930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78, igr1=2022,2023,2024, igr2=2633,2634,2635, &end # # 135 LEU HN 135 LEU HG 5.96 (#peak 369) &rst ixpk= 369, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 135 LEU HN 135 LEU QD1 5.85 (#peak 375) &rst ixpk= 375, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2=2037,2038,2039, &end # # 135 LEU HN 135 LEU QD2 5.81 (#peak 374) &rst ixpk= 374, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=2041,2042,2043, &end # # 135 LEU HN 171 ALA O 2.4 &rst ixpk= 374, nxpk= 0, iat=2028,2625, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 135 LEU HN 171 ALA QB 4.40 (#peak 2259) &rst ixpk= 2259, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2621,2622,2623, &end # # 135 LEU HN 172 VAL HA 5.38 (#peak 372) &rst ixpk= 372, nxpk= 0, iat=2028,2629, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 135 LEU HA 135 LEU QD1 4.19 (#peak 3392) &rst ixpk= 3392, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=2037,2038,2039, &end # # 135 LEU HA 135 LEU QD2 6.08 (#peak 3395) &rst ixpk= 3395, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=2041,2042,2043, &end # # 135 LEU HB2 136 ILE HN 6.15 (#peak 2407) &rst ixpk= 2407, nxpk= 0, iat=2032,2047, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 135 LEU HB2 171 ALA HN 5.90 (#peak 2302) &rst ixpk= 2302, nxpk= 0, iat=2032,2617, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 135 LEU HB2 171 ALA QB 6.09 (#peak 4938) &rst ixpk= 4938, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr2=2621,2622,2623, &end # # 135 LEU HB3 135 LEU QD1 3.93 (#peak 3880) &rst ixpk= 3880, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2037,2038,2039, &end # # 135 LEU HB3 135 LEU QD2 3.49 (#peak 2126) &rst ixpk= 2126, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=2041,2042,2043, &end # # 135 LEU HB3 136 ILE HA 4.63 (#peak 4868) &rst ixpk= 4868, nxpk= 0, iat=2033,2049, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 135 LEU HB3 142 MET QE 4.10 (#peak 5852) &rst ixpk= 5852, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=2161,2162,2163, &end # # 135 LEU HG 136 ILE HN 6.15 (#peak 2406) &rst ixpk= 2406, nxpk= 0, iat=2035,2047, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 135 LEU N 171 ALA O 3.3 &rst ixpk= 2406, nxpk= 0, iat=2027,2625, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 135 LEU QD1 141 TRP HH2 4.76 (#peak 9226) &rst ixpk= 9226, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=2037,2038,2039, &end # # 135 LEU QD1 141 TRP HZ2 6.15 (#peak 6544) &rst ixpk= 6544, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2037,2038,2039, &end # # 135 LEU QD1 142 MET QE 3.58 (#peak 6396) &rst ixpk= 6396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=2037,2038,2039, igr2=2161,2162,2163, &end # # 135 LEU QD1 145 ASN HB2 6.06 (#peak 5830) &rst ixpk= 5830, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=2037,2038,2039, &end # # 135 LEU QD1 145 ASN HB3 6.01 (#peak 5831) &rst ixpk= 5831, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, igr1=2037,2038,2039, &end # # 135 LEU QD1 145 ASN HD21 4.01 (#peak 6009) &rst ixpk= 6009, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=2037,2038,2039, &end # # 135 LEU QD1 145 ASN HD22 5.29 (#peak 6008) &rst ixpk= 6008, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=2037,2038,2039, &end # # 135 LEU QD1 171 ALA QB 5.60 (#peak 4936) &rst ixpk= 4936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1=2037,2038,2039, igr2=2621,2622,2623, &end # # 135 LEU QD2 136 ILE HN 6.15 (#peak 2408) &rst ixpk= 2408, nxpk= 0, iat= -1,2047, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2041,2042,2043, &end # # 135 LEU QD2 142 MET QE 3.96 (#peak 6397) &rst ixpk= 6397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=2041,2042,2043, igr2=2161,2162,2163, &end # # 135 LEU QD2 145 ASN HB2 5.11 (#peak 5828) &rst ixpk= 5828, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1=2041,2042,2043, &end # # 135 LEU QD2 145 ASN HB3 5.03 (#peak 5829) &rst ixpk= 5829, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=2041,2042,2043, &end # # 135 LEU QD2 145 ASN HD21 4.83 (#peak 6011) &rst ixpk= 6011, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=2041,2042,2043, &end # # 135 LEU QD2 145 ASN HD22 5.03 (#peak 6010) &rst ixpk= 6010, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=2041,2042,2043, &end # # 135 LEU QD2 147 LEU QD1 3.88 (#peak 6479) &rst ixpk= 6479, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=2041,2042,2043, igr2=2240,2241,2242, &end # # 135 LEU QD2 171 ALA QB 6.14 (#peak 4935) &rst ixpk= 4935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36, igr1=2041,2042,2043, igr2=2621,2622,2623, &end # # 136 ILE HN 136 ILE QD1 5.95 (#peak 1421) &rst ixpk= 1421, nxpk= 0, iat=2047, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr2=2060,2061,2062, &end # # 136 ILE HA 136 ILE QD1 4.51 (#peak 2926) &rst ixpk= 2926, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=2060,2061,2062, &end # # 136 ILE HA 137 GLY HA3 6.15 (#peak 4866) &rst ixpk= 4866, nxpk= 0, iat=2049,2069, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 136 ILE HA 142 MET QE 3.23 (#peak 6015) &rst ixpk= 6015, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=2161,2162,2163, &end # # 136 ILE HA 168 VAL QG2 5.84 (#peak 4943) &rst ixpk= 4943, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr2=2576,2577,2578, &end # # 136 ILE HA 170 VAL QG1 4.91 (#peak 6519) &rst ixpk= 6519, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=2607,2608,2609, &end # # 136 ILE HA 170 VAL QG2 5.44 (#peak 6520) &rst ixpk= 6520, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=2611,2612,2613, &end # # 136 ILE HB 136 ILE QD1 3.81 (#peak 1300) &rst ixpk= 1300, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=2060,2061,2062, &end # # 136 ILE HB 137 GLY HN 6.13 (#peak 43) &rst ixpk= 43, nxpk= 0, iat=2051,2066, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end # # 136 ILE HB 170 VAL QG2 6.05 (#peak 4947) &rst ixpk= 4947, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=2611,2612,2613, &end # # 136 ILE QD1 137 GLY HN 6.15 (#peak 2421) &rst ixpk= 2421, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2060,2061,2062, &end # # 136 ILE QD1 168 VAL QG2 5.51 (#peak 4940) &rst ixpk= 4940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1=2060,2061,2062, igr2=2576,2577,2578, &end # # 136 ILE QD1 170 VAL QG1 5.79 (#peak 4945) &rst ixpk= 4945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1=2060,2061,2062, igr2=2607,2608,2609, &end # # 136 ILE QG2 137 GLY HA2 5.74 (#peak 6017) &rst ixpk= 6017, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1=2053,2054,2055, &end # # 136 ILE QG2 137 GLY HA3 6.09 (#peak 6018) &rst ixpk= 6018, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1=2053,2054,2055, &end # # 136 ILE QG2 168 VAL QG2 5.60 (#peak 4944) &rst ixpk= 4944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1=2053,2054,2055, igr2=2576,2577,2578, &end # # 137 GLY HN 142 MET QE 3.52 (#peak 4373) &rst ixpk= 4373, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=2161,2162,2163, &end # # 137 GLY HN 169 LEU HN 5.95 (#peak 1969) &rst ixpk= 1969, nxpk= 0, iat=2066,2582, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 137 GLY HN 169 LEU HB2 6.15 (#peak 2488) &rst ixpk= 2488, nxpk= 0, iat=2066,2586, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 137 GLY HN 169 LEU HB3 5.77 (#peak 2254) &rst ixpk= 2254, nxpk= 0, iat=2066,2587, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 137 GLY HN 169 LEU O 2.4 &rst ixpk= 2254, nxpk= 0, iat=2066,2599, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 137 GLY HN 169 LEU QD1 6.15 (#peak 2255) &rst ixpk= 2255, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2591,2592,2593, &end # # 137 GLY HN 170 VAL HA 6.10 (#peak 47) &rst ixpk= 47, nxpk= 0, iat=2066,2603, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 137 GLY HA3 168 VAL QG2 5.87 (#peak 4948) &rst ixpk= 4948, nxpk= 0, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2=2576,2577,2578, &end # # 137 GLY N 169 LEU O 3.3 &rst ixpk= 4948, nxpk= 0, iat=2065,2599, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 138 ASN HN 139 ARG HN 5.78 (#peak 1369) &rst ixpk= 1369, nxpk= 0, iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 138 ASN HA 168 VAL HA 6.15 (#peak 4513) &rst ixpk= 4513, nxpk= 0, iat=2075,2568, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 138 ASN HB3 139 ARG HN 4.42 (#peak 1365) &rst ixpk= 1365, nxpk= 0, iat=2078,2087, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 139 ARG HN 139 ARG QB 3.49 (#peak 1372) &rst ixpk= 1372, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=2091,2092, &end # # 139 ARG HA 142 MET HG2 6.15 (#peak 6500) &rst ixpk= 6500, nxpk= 0, iat=2089,2157, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 139 ARG HA 142 MET HG3 6.15 (#peak 6501) &rst ixpk= 6501, nxpk= 0, iat=2089,2158, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 139 ARG HA 142 MET QB 6.15 (#peak 6499) &rst ixpk= 6499, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=2154,2155, &end # # 139 ARG HA 169 LEU HB2 5.32 (#peak 5797) &rst ixpk= 5797, nxpk= 0, iat=2089,2586, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 139 ARG HA 169 LEU HB3 5.42 (#peak 5795) &rst ixpk= 5795, nxpk= 0, iat=2089,2587, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 139 ARG HA 169 LEU HG 4.61 (#peak 4604) &rst ixpk= 4604, nxpk= 0, iat=2089,2589, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 139 ARG HA 169 LEU QD1 5.09 (#peak 5796) &rst ixpk= 5796, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=2591,2592,2593, &end # # 139 ARG HA 169 LEU QD2 4.67 (#peak 4602) &rst ixpk= 4602, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=2595,2596,2597, &end # # 139 ARG QB 140 GLU HA 5.94 (#peak 4824) &rst ixpk= 4824, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=2091,2092, &end # # 139 ARG QB 157 MET HB2 5.28 (#peak 5848) &rst ixpk= 5848, nxpk= 0, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=2091,2092, &end # # 140 GLU HN 140 GLU HG2 6.15 (#peak 2161) &rst ixpk= 2161, nxpk= 0, iat=2111,2118, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 140 GLU HN 140 GLU HG3 6.00 (#peak 2158) &rst ixpk= 2158, nxpk= 0, iat=2111,2119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 140 GLU HN 141 TRP HN 6.10 (#peak 2162) &rst ixpk= 2162, nxpk= 0, iat=2111,2126, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 140 GLU HA 141 TRP HA 6.15 (#peak 6276) &rst ixpk= 6276, nxpk= 0, iat=2113,2128, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 140 GLU HA 143 ILE QD1 4.21 (#peak 5708) &rst ixpk= 5708, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=2180,2181,2182, &end # # 140 GLU HB2 141 TRP HN 6.15 (#peak 1463) &rst ixpk= 1463, nxpk= 0, iat=2115,2126, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 140 GLU HB2 143 ILE QD1 5.80 (#peak 5709) &rst ixpk= 5709, nxpk= 0, iat=2115, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2180,2181,2182, &end # # 140 GLU HB3 141 TRP HN 6.03 (#peak 1466) &rst ixpk= 1466, nxpk= 0, iat=2116,2126, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 140 GLU HB3 141 TRP HA 6.15 (#peak 4825) &rst ixpk= 4825, nxpk= 0, iat=2116,2128, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 140 GLU HB3 143 ILE QD1 5.18 (#peak 5710) &rst ixpk= 5710, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=2180,2181,2182, &end # # 140 GLU HG3 143 ILE QD1 5.27 (#peak 5726) &rst ixpk= 5726, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2=2180,2181,2182, &end # # 141 TRP HA 144 ARG HA 6.13 (#peak 5748) &rst ixpk= 5748, nxpk= 0, iat=2128,2188, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end # # 141 TRP HA 144 ARG HB2 4.14 (#peak 4819) &rst ixpk= 4819, nxpk= 0, iat=2128,2190, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 141 TRP HA 144 ARG HB3 4.13 (#peak 5751) &rst ixpk= 5751, nxpk= 0, iat=2128,2191, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 141 TRP HA 144 ARG HG2 5.48 (#peak 5749) &rst ixpk= 5749, nxpk= 0, iat=2128,2193, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 141 TRP HA 144 ARG HG3 4.66 (#peak 5670) &rst ixpk= 5670, nxpk= 0, iat=2128,2194, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 142 MET HG2 142 MET QE 4.23 (#peak 5695) &rst ixpk= 5695, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=2161,2162,2163, &end # # 142 MET HG2 176 LEU QD2 5.90 (#peak 5853) &rst ixpk= 5853, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2695,2696,2697, &end # # 142 MET HG3 142 MET QE 4.56 (#peak 5694) &rst ixpk= 5694, nxpk= 0, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=2161,2162,2163, &end # # 142 MET HG3 176 LEU QD2 5.65 (#peak 5854) &rst ixpk= 5854, nxpk= 0, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr2=2695,2696,2697, &end # # 142 MET QB 142 MET QE 4.41 (#peak 5693) &rst ixpk= 5693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=2154,2155, igr2=2161,2162,2163, &end # # 142 MET QE 145 ASN HB2 4.69 (#peak 5721) &rst ixpk= 5721, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=2161,2162,2163, &end # # 142 MET QE 147 LEU HG 5.93 (#peak 5096) &rst ixpk= 5096, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr1=2161,2162,2163, &end # # 142 MET QE 147 LEU QD1 5.55 (#peak 5098) &rst ixpk= 5098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=2161,2162,2163, igr2=2240,2241,2242, &end # # 142 MET QE 147 LEU QD2 5.22 (#peak 5099) &rst ixpk= 5099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1=2161,2162,2163, igr2=2244,2245,2246, &end # # 142 MET QE 169 LEU QD2 3.91 (#peak 6425) &rst ixpk= 6425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=2161,2162,2163, igr2=2595,2596,2597, &end # # 142 MET QE 170 VAL HA 4.27 (#peak 6057) &rst ixpk= 6057, nxpk= 0, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=2161,2162,2163, &end # # 142 MET QE 171 ALA HN 5.58 (#peak 2702) &rst ixpk= 2702, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1=2161,2162,2163, &end # # 142 MET QE 171 ALA HA 4.54 (#peak 4525) &rst ixpk= 4525, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=2161,2162,2163, &end # # 142 MET QE 171 ALA QB 3.17 (#peak 4527) &rst ixpk= 4527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=2161,2162,2163, igr2=2621,2622,2623, &end # # 144 ARG HN 144 ARG HG2 5.84 (#peak 761) &rst ixpk= 761, nxpk= 0, iat=2186,2193, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 144 ARG HN 144 ARG HG3 5.83 (#peak 755) &rst ixpk= 755, nxpk= 0, iat=2186,2194, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 144 ARG HN 145 ASN HN 5.76 (#peak 1914) &rst ixpk= 1914, nxpk= 0, iat=2186,2210, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 144 ARG HN 146 GLY HN 5.82 (#peak 768) &rst ixpk= 768, nxpk= 0, iat=2186,2224, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 144 ARG HA 144 ARG HG2 4.20 (#peak 1958) &rst ixpk= 1958, nxpk= 0, iat=2188,2193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 144 ARG HA 144 ARG HG3 4.04 (#peak 1347) &rst ixpk= 1347, nxpk= 0, iat=2188,2194, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 144 ARG HA 144 ARG QD 4.56 (#peak 3743) &rst ixpk= 3743, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=2196,2197, &end # # 144 ARG HA 145 ASN HA 5.66 (#peak 4828) &rst ixpk= 4828, nxpk= 0, iat=2188,2212, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 144 ARG HB2 144 ARG HG2 3.01 (#peak 1964) &rst ixpk= 1964, nxpk= 0, iat=2190,2193, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 144 ARG HB2 144 ARG QD 3.59 (#peak 3748) &rst ixpk= 3748, nxpk= 0, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=2196,2197, &end # # 144 ARG HB2 145 ASN HN 4.32 (#peak 1916) &rst ixpk= 1916, nxpk= 0, iat=2190,2210, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 144 ARG HB3 144 ARG QD 3.39 (#peak 3742) &rst ixpk= 3742, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2=2196,2197, &end # # 144 ARG HB3 145 ASN HN 4.35 (#peak 1919) &rst ixpk= 1919, nxpk= 0, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 144 ARG HB3 145 ASN HA 5.84 (#peak 4811) &rst ixpk= 4811, nxpk= 0, iat=2191,2212, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 144 ARG HB3 146 GLY HN 6.15 (#peak 2396) &rst ixpk= 2396, nxpk= 0, iat=2191,2224, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 144 ARG HG2 144 ARG QD 3.00 (#peak 3744) &rst ixpk= 3744, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=2196,2197, &end # # 144 ARG HG2 145 ASN HN 5.51 (#peak 1920) &rst ixpk= 1920, nxpk= 0, iat=2193,2210, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 144 ARG HG3 145 ASN HN 5.49 (#peak 1913) &rst ixpk= 1913, nxpk= 0, iat=2194,2210, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 144 ARG QD 145 ASN HN 4.49 (#peak 6277) &rst ixpk= 6277, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=2196,2197, &end # # 145 ASN HN 146 GLY HN 6.03 (#peak 773) &rst ixpk= 773, nxpk= 0, iat=2210,2224, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 145 ASN HN 147 LEU HN 6.15 (#peak 989) &rst ixpk= 989, nxpk= 0, iat=2210,2231, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 145 ASN HA 145 ASN HD21 4.73 (#peak 6005) &rst ixpk= 6005, nxpk= 0, iat=2212,2219, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 145 ASN HA 145 ASN HD22 4.89 (#peak 6004) &rst ixpk= 6004, nxpk= 0, iat=2212,2220, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 145 ASN HA 146 GLY HA2 5.78 (#peak 4812) &rst ixpk= 4812, nxpk= 0, iat=2212,2226, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 145 ASN HB2 146 GLY HN 6.08 (#peak 2393) &rst ixpk= 2393, nxpk= 0, iat=2214,2224, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end # # 145 ASN HB2 147 LEU HN 4.67 (#peak 2390) &rst ixpk= 2390, nxpk= 0, iat=2214,2231, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 145 ASN HB2 147 LEU QD1 6.15 (#peak 6489) &rst ixpk= 6489, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2240,2241,2242, &end # # 145 ASN HB2 171 ALA QB 5.51 (#peak 6132) &rst ixpk= 6132, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=2621,2622,2623, &end # # 145 ASN HB3 146 GLY HN 5.73 (#peak 771) &rst ixpk= 771, nxpk= 0, iat=2215,2224, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 145 ASN HB3 146 GLY HA2 6.15 (#peak 4823) &rst ixpk= 4823, nxpk= 0, iat=2215,2226, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 145 ASN HB3 147 LEU HN 5.20 (#peak 2391) &rst ixpk= 2391, nxpk= 0, iat=2215,2231, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 145 ASN HB3 147 LEU QD1 5.57 (#peak 6492) &rst ixpk= 6492, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2=2240,2241,2242, &end # # 145 ASN HB3 147 LEU QD2 5.81 (#peak 6491) &rst ixpk= 6491, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=2244,2245,2246, &end # # 145 ASN HD21 147 LEU QD2 5.17 (#peak 6538) &rst ixpk= 6538, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=2244,2245,2246, &end # # 146 GLY HN 147 LEU HG 5.47 (#peak 2386) &rst ixpk= 2386, nxpk= 0, iat=2224,2238, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 146 GLY HN 147 LEU QB 5.32 (#peak 2387) &rst ixpk= 2387, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=2235,2236, &end # # 146 GLY HN 147 LEU QD1 5.49 (#peak 2389) &rst ixpk= 2389, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2=2240,2241,2242, &end # # 146 GLY HA2 147 LEU HA 5.66 (#peak 5496) &rst ixpk= 5496, nxpk= 0, iat=2226,2233, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 147 LEU HN 147 LEU HG 4.04 (#peak 987) &rst ixpk= 987, nxpk= 0, iat=2231,2238, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 147 LEU HN 147 LEU QB 3.91 (#peak 981) &rst ixpk= 981, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=2235,2236, &end # # 147 LEU HN 147 LEU QD1 4.37 (#peak 986) &rst ixpk= 986, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=2240,2241,2242, &end # # 147 LEU HN 147 LEU QD2 4.31 (#peak 984) &rst ixpk= 984, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=2244,2245,2246, &end # # 147 LEU HA 147 LEU HG 3.90 (#peak 444) &rst ixpk= 444, nxpk= 0, iat=2233,2238, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 147 LEU HA 147 LEU QD1 4.46 (#peak 449) &rst ixpk= 449, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2=2240,2241,2242, &end # # 147 LEU HA 147 LEU QD2 4.08 (#peak 4355) &rst ixpk= 4355, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2=2244,2245,2246, &end # # 147 LEU HA 148 VAL QG1 4.50 (#peak 6141) &rst ixpk= 6141, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2256,2257,2258, &end # # 147 LEU HA 148 VAL QG2 6.05 (#peak 5500) &rst ixpk= 5500, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=2260,2261,2262, &end # # 147 LEU HA 174 ASP QB 6.04 (#peak 6392) &rst ixpk= 6392, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr2=2659,2660, &end # # 147 LEU HG 148 VAL HN 6.15 (#peak 358) &rst ixpk= 358, nxpk= 0, iat=2238,2250, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 147 LEU QB 147 LEU QD1 3.63 (#peak 3971) &rst ixpk= 3971, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=2235,2236, igr2=2240,2241,2242, &end # # 147 LEU QB 147 LEU QD2 3.22 (#peak 4356) &rst ixpk= 4356, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1=2235,2236, igr2=2244,2245,2246, &end # # 147 LEU QB 148 VAL HN 6.15 (#peak 350) &rst ixpk= 350, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=2235,2236, &end # # 147 LEU QD1 148 VAL HN 6.15 (#peak 357) &rst ixpk= 357, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2240,2241,2242, &end # # 147 LEU QD1 171 ALA HA 5.45 (#peak 6540) &rst ixpk= 6540, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=2240,2241,2242, &end # # 147 LEU QD1 172 VAL HN 5.39 (#peak 6483) &rst ixpk= 6483, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=2240,2241,2242, &end # # 147 LEU QD1 174 ASP HA 3.96 (#peak 6142) &rst ixpk= 6142, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=2240,2241,2242, &end # # 147 LEU QD1 176 LEU HN 4.86 (#peak 6484) &rst ixpk= 6484, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=2240,2241,2242, &end # # 147 LEU QD2 148 VAL HN 6.15 (#peak 355) &rst ixpk= 355, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2244,2245,2246, &end # # 147 LEU QD2 171 ALA QB 3.91 (#peak 6353) &rst ixpk= 6353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=2244,2245,2246, igr2=2621,2622,2623, &end # # 147 LEU QD2 172 VAL HN 5.03 (#peak 6485) &rst ixpk= 6485, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=2244,2245,2246, &end # # 147 LEU QD2 174 ASP HA 3.59 (#peak 6539) &rst ixpk= 6539, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=2244,2245,2246, &end # # 147 LEU QD2 174 ASP QB 4.37 (#peak 5969) &rst ixpk= 5969, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1=2244,2245,2246, igr2=2659,2660, &end # # 147 LEU QD2 175 GLU HN 4.27 (#peak 2706) &rst ixpk= 2706, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=2244,2245,2246, &end # # 147 LEU QD2 176 LEU HN 4.18 (#peak 6486) &rst ixpk= 6486, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1=2244,2245,2246, &end # # 148 VAL HN 148 VAL QG1 6.15 (#peak 362) &rst ixpk= 362, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2256,2257,2258, &end # # 148 VAL HN 148 VAL QG2 6.15 (#peak 351) &rst ixpk= 351, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2260,2261,2262, &end # # 148 VAL HN 149 ILE HN 5.79 (#peak 1171) &rst ixpk= 1171, nxpk= 0, iat=2250,2266, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 148 VAL HA 148 VAL QG1 3.78 (#peak 866) &rst ixpk= 866, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=2256,2257,2258, &end # # 148 VAL HA 148 VAL QG2 3.59 (#peak 1198) &rst ixpk= 1198, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=2260,2261,2262, &end # # 148 VAL HB 149 ILE HN 5.89 (#peak 1174) &rst ixpk= 1174, nxpk= 0, iat=2254,2266, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 148 VAL QG1 149 ILE HN 5.95 (#peak 1182) &rst ixpk= 1182, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=2256,2257,2258, &end # # 148 VAL QG1 150 ASN HA 5.18 (#peak 5963) &rst ixpk= 5963, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=2256,2257,2258, &end # # 148 VAL QG2 149 ILE HN 6.01 (#peak 1173) &rst ixpk= 1173, nxpk= 0, iat= -1,2266, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, igr1=2260,2261,2262, &end # # 149 ILE HN 149 ILE HG12 6.15 (#peak 1179) &rst ixpk= 1179, nxpk= 0, iat=2266,2276, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 149 ILE HN 149 ILE HG13 6.15 (#peak 1175) &rst ixpk= 1175, nxpk= 0, iat=2266,2277, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 149 ILE HN 149 ILE QD1 5.75 (#peak 1170) &rst ixpk= 1170, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2=2279,2280,2281, &end # # 149 ILE HN 149 ILE QG2 5.99 (#peak 1181) &rst ixpk= 1181, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr2=2272,2273,2274, &end # # 149 ILE HN 150 ASN HN 6.00 (#peak 1172) &rst ixpk= 1172, nxpk= 0, iat=2266,2285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 149 ILE HA 149 ILE QD1 3.99 (#peak 1007) &rst ixpk= 1007, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=2279,2280,2281, &end # # 149 ILE HA 149 ILE QG2 4.16 (#peak 1002) &rst ixpk= 1002, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=2272,2273,2274, &end # # 149 ILE HA 150 ASN HN 3.10 (#peak 413) &rst ixpk= 413, nxpk= 0, iat=2268,2285, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 149 ILE HA 150 ASN HA 4.92 (#peak 5968) &rst ixpk= 5968, nxpk= 0, iat=2268,2287, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 149 ILE HA 176 LEU QD1 4.40 (#peak 6320) &rst ixpk= 6320, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2691,2692,2693, &end # # 149 ILE HB 149 ILE QD1 3.31 (#peak 3335) &rst ixpk= 3335, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=2279,2280,2281, &end # # 149 ILE HB 150 ASN HN 5.91 (#peak 407) &rst ixpk= 407, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 149 ILE HG12 150 ASN HN 5.95 (#peak 418) &rst ixpk= 418, nxpk= 0, iat=2276,2285, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 149 ILE HG13 150 ASN HN 5.75 (#peak 2644) &rst ixpk= 2644, nxpk= 0, iat=2277,2285, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 149 ILE HG13 150 ASN HD21 6.15 (#peak 2750) &rst ixpk= 2750, nxpk= 0, iat=2277,2294, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 149 ILE QD1 153 VAL QG1 4.32 (#peak 5847) &rst ixpk= 5847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=2279,2280,2281, igr2=2331,2332,2333, &end # # 149 ILE QD1 153 VAL QG2 4.02 (#peak 5707) &rst ixpk= 5707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=2279,2280,2281, igr2=2335,2336,2337, &end # # 149 ILE QD1 154 ASN HA 4.82 (#peak 5975) &rst ixpk= 5975, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=2279,2280,2281, &end # # 149 ILE QD1 157 MET QE 3.61 (#peak 6351) &rst ixpk= 6351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=2279,2280,2281, igr2=2398,2399,2400, &end # # 149 ILE QD1 169 LEU QD1 3.84 (#peak 6352) &rst ixpk= 6352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=2279,2280,2281, igr2=2591,2592,2593, &end # # 149 ILE QG2 149 ILE HG12 4.19 (#peak 941) &rst ixpk= 941, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=2272,2273,2274, &end # # 149 ILE QG2 149 ILE HG13 3.45 (#peak 1242) &rst ixpk= 1242, nxpk= 0, iat= -1,2277, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=2272,2273,2274, &end # # 149 ILE QG2 149 ILE QD1 4.78 (#peak 1243) &rst ixpk= 1243, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1=2272,2273,2274, igr2=2279,2280,2281, &end # # 149 ILE QG2 150 ASN HN 3.50 (#peak 420) &rst ixpk= 420, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2272,2273,2274, &end # # 149 ILE QG2 154 ASN HA 4.49 (#peak 5976) &rst ixpk= 5976, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=2272,2273,2274, &end # # 149 ILE QG2 154 ASN HB2 4.64 (#peak 5977) &rst ixpk= 5977, nxpk= 0, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=2272,2273,2274, &end # # 149 ILE QG2 154 ASN HB3 4.22 (#peak 5978) &rst ixpk= 5978, nxpk= 0, iat= -1,2346, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=2272,2273,2274, &end # # 150 ASN HN 150 ASN HB3 4.10 (#peak 411) &rst ixpk= 411, nxpk= 0, iat=2285,2290, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 150 ASN HN 150 ASN HD21 5.96 (#peak 406) &rst ixpk= 406, nxpk= 0, iat=2285,2294, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 150 ASN HN 150 ASN HD22 6.15 (#peak 1436) &rst ixpk= 1436, nxpk= 0, iat=2285,2295, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HN 151 ASN HN 6.12 (#peak 482) &rst ixpk= 482, nxpk= 0, iat=2285,2299, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 150 ASN HN 152 ASP HN 6.15 (#peak 416) &rst ixpk= 416, nxpk= 0, iat=2285,2313, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HN 153 VAL HB 5.45 (#peak 2698) &rst ixpk= 2698, nxpk= 0, iat=2285,2329, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 150 ASN HN 176 LEU QD1 4.47 (#peak 2768) &rst ixpk= 2768, nxpk= 0, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=2691,2692,2693, &end # # 150 ASN HA 150 ASN HD21 6.15 (#peak 24) &rst ixpk= 24, nxpk= 0, iat=2287,2294, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HA 150 ASN HD22 4.73 (#peak 1439) &rst ixpk= 1439, nxpk= 0, iat=2287,2295, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 150 ASN HA 151 ASN HA 5.75 (#peak 5737) &rst ixpk= 5737, nxpk= 0, iat=2287,2301, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 150 ASN HA 152 ASP HN 5.93 (#peak 1414) &rst ixpk= 1414, nxpk= 0, iat=2287,2313, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end # # 150 ASN HA 154 ASN HN 6.15 (#peak 1713) &rst ixpk= 1713, nxpk= 0, iat=2287,2341, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HB2 151 ASN HN 6.15 (#peak 491) &rst ixpk= 491, nxpk= 0, iat=2289,2299, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HB2 151 ASN HA 6.15 (#peak 4612) &rst ixpk= 4612, nxpk= 0, iat=2289,2301, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HB2 153 VAL QG1 5.39 (#peak 5893) &rst ixpk= 5893, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=2331,2332,2333, &end # # 150 ASN HB2 153 VAL QG2 6.15 (#peak 5513) &rst ixpk= 5513, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2335,2336,2337, &end # # 150 ASN HB3 151 ASN HN 6.15 (#peak 485) &rst ixpk= 485, nxpk= 0, iat=2290,2299, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 150 ASN HB3 151 ASN HA 5.72 (#peak 5510) &rst ixpk= 5510, nxpk= 0, iat=2290,2301, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 150 ASN HB3 152 ASP HB3 4.58 (#peak 5727) &rst ixpk= 5727, nxpk= 0, iat=2290,2318, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 150 ASN HB3 153 VAL QG1 5.90 (#peak 5894) &rst ixpk= 5894, nxpk= 0, iat=2290, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2331,2332,2333, &end # # 150 ASN HD22 176 LEU HG 5.12 (#peak 6504) &rst ixpk= 6504, nxpk= 0, iat=2295,2689, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 151 ASN HA 153 VAL HN 5.01 (#peak 634) &rst ixpk= 634, nxpk= 0, iat=2301,2325, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 151 ASN HA 154 ASN HB2 5.02 (#peak 1460) &rst ixpk= 1460, nxpk= 0, iat=2301,2345, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 151 ASN HB2 152 ASP HN 6.09 (#peak 1403) &rst ixpk= 1403, nxpk= 0, iat=2303,2313, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end # # 151 ASN HB3 152 ASP HN 5.87 (#peak 1408) &rst ixpk= 1408, nxpk= 0, iat=2304,2313, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 152 ASP HN 153 VAL HN 5.93 (#peak 631) &rst ixpk= 631, nxpk= 0, iat=2313,2325, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end # # 152 ASP HN 153 VAL QG1 5.27 (#peak 2699) &rst ixpk= 2699, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2=2331,2332,2333, &end # # 152 ASP HN 154 ASN HN 5.95 (#peak 1710) &rst ixpk= 1710, nxpk= 0, iat=2313,2341, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 152 ASP HA 155 ASP HN 6.15 (#peak 149) &rst ixpk= 149, nxpk= 0, iat=2315,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 152 ASP HA 155 ASP HB2 5.38 (#peak 175) &rst ixpk= 175, nxpk= 0, iat=2315,2359, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 152 ASP HA 155 ASP HB3 4.00 (#peak 2583) &rst ixpk= 2583, nxpk= 0, iat=2315,2360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 152 ASP HB2 153 VAL HN 6.02 (#peak 632) &rst ixpk= 632, nxpk= 0, iat=2317,2325, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end # # 152 ASP HB2 153 VAL QG1 4.90 (#peak 5792) &rst ixpk= 5792, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=2331,2332,2333, &end # # 152 ASP HB3 153 VAL HN 5.86 (#peak 628) &rst ixpk= 628, nxpk= 0, iat=2318,2325, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 153 VAL HN 153 VAL QG1 3.85 (#peak 635) &rst ixpk= 635, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=2331,2332,2333, &end # # 153 VAL HN 153 VAL QG2 3.84 (#peak 627) &rst ixpk= 627, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=2335,2336,2337, &end # # 153 VAL HN 154 ASN HN 6.03 (#peak 633) &rst ixpk= 633, nxpk= 0, iat=2325,2341, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end # # 153 VAL HN 155 ASP HN 6.15 (#peak 624) &rst ixpk= 624, nxpk= 0, iat=2325,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 153 VAL HA 153 VAL QG1 3.95 (#peak 589) &rst ixpk= 589, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=2331,2332,2333, &end # # 153 VAL HA 155 ASP HN 6.15 (#peak 142) &rst ixpk= 142, nxpk= 0, iat=2327,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 153 VAL HA 156 PHE HN 6.10 (#peak 173) &rst ixpk= 173, nxpk= 0, iat=2327,2367, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 153 VAL HA 156 PHE QB 5.51 (#peak 585) &rst ixpk= 585, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2=2371,2372, &end # # 153 VAL HA 156 PHE QD 4.16 (#peak 9153) &rst ixpk= 9153, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=2375,2383, &end # # 153 VAL HB 154 ASN HN 5.84 (#peak 1708) &rst ixpk= 1708, nxpk= 0, iat=2329,2341, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 153 VAL QG1 154 ASN HN 5.95 (#peak 1714) &rst ixpk= 1714, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=2331,2332,2333, &end # # 153 VAL QG1 154 ASN HA 5.48 (#peak 5194) &rst ixpk= 5194, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1=2331,2332,2333, &end # # 153 VAL QG1 156 PHE QD 5.40 (#peak 6391) &rst ixpk= 6391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=2331,2332,2333, igr2=2375,2383, &end # # 153 VAL QG2 154 ASN HN 5.89 (#peak 1705) &rst ixpk= 1705, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=2335,2336,2337, &end # # 153 VAL QG2 154 ASN HA 6.15 (#peak 5193) &rst ixpk= 5193, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2335,2336,2337, &end # # 153 VAL QG2 156 PHE QD 4.34 (#peak 9165) &rst ixpk= 9165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=2335,2336,2337, igr2=2375,2383, &end # # 153 VAL QG2 157 MET QE 3.71 (#peak 5783) &rst ixpk= 5783, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=2335,2336,2337, igr2=2398,2399,2400, &end # # 153 VAL QG2 157 MET QG 4.80 (#peak 5782) &rst ixpk= 5782, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=2335,2336,2337, igr2=2394,2395, &end # # 154 ASN HN 154 ASN HD21 6.15 (#peak 1706) &rst ixpk= 1706, nxpk= 0, iat=2341,2350, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 154 ASN HN 154 ASN HD22 6.15 (#peak 1700) &rst ixpk= 1700, nxpk= 0, iat=2341,2351, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 154 ASN HN 155 ASP HN 6.05 (#peak 150) &rst ixpk= 150, nxpk= 0, iat=2341,2355, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 154 ASN HN 156 PHE HN 5.99 (#peak 182) &rst ixpk= 182, nxpk= 0, iat=2341,2367, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end # # 154 ASN HA 154 ASN HD21 5.91 (#peak 827) &rst ixpk= 827, nxpk= 0, iat=2343,2350, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 154 ASN HA 154 ASN HD22 5.40 (#peak 4470) &rst ixpk= 4470, nxpk= 0, iat=2343,2351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 154 ASN HA 155 ASP HA 6.15 (#peak 5200) &rst ixpk= 5200, nxpk= 0, iat=2343,2357, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 154 ASN HA 156 PHE HN 6.15 (#peak 4469) &rst ixpk= 4469, nxpk= 0, iat=2343,2367, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 154 ASN HA 157 MET HN 5.83 (#peak 4473) &rst ixpk= 4473, nxpk= 0, iat=2343,2387, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 154 ASN HA 157 MET HB2 5.61 (#peak 5059) &rst ixpk= 5059, nxpk= 0, iat=2343,2391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 154 ASN HA 157 MET HB3 5.35 (#peak 5058) &rst ixpk= 5058, nxpk= 0, iat=2343,2392, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 154 ASN HA 158 THR HN 4.90 (#peak 2741) &rst ixpk= 2741, nxpk= 0, iat=2343,2404, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 154 ASN HB2 155 ASP HN 6.15 (#peak 153) &rst ixpk= 153, nxpk= 0, iat=2345,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 154 ASN HD21 155 ASP HN 6.15 (#peak 825) &rst ixpk= 825, nxpk= 0, iat=2350,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 154 ASN HD22 155 ASP HN 6.15 (#peak 2564) &rst ixpk= 2564, nxpk= 0, iat=2351,2355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 155 ASP HN 151 ASN O 2.4 &rst ixpk= 2564, nxpk= 0, iat=2355,2311, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 155 ASP HN 156 PHE HN 5.94 (#peak 174) &rst ixpk= 174, nxpk= 0, iat=2355,2367, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 155 ASP HN 157 MET HN 6.15 (#peak 152) &rst ixpk= 152, nxpk= 0, iat=2355,2387, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 155 ASP HA 157 MET HN 6.08 (#peak 2132) &rst ixpk= 2132, nxpk= 0, iat=2357,2387, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end # # 155 ASP HA 158 THR HN 4.30 (#peak 289) &rst ixpk= 289, nxpk= 0, iat=2357,2404, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 155 ASP HA 159 GLU HN 6.15 (#peak 2567) &rst ixpk= 2567, nxpk= 0, iat=2357,2418, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 155 ASP HB2 156 PHE HN 6.12 (#peak 176) &rst ixpk= 176, nxpk= 0, iat=2359,2367, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 155 ASP HB3 156 PHE HN 6.15 (#peak 180) &rst ixpk= 180, nxpk= 0, iat=2360,2367, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 155 ASP N 151 ASN O 3.3 &rst ixpk= 180, nxpk= 0, iat=2354,2311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 156 PHE HN 157 MET HN 5.84 (#peak 183) &rst ixpk= 183, nxpk= 0, iat=2367,2387, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 156 PHE HN 158 THR HN 6.15 (#peak 2565) &rst ixpk= 2565, nxpk= 0, iat=2367,2404, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 156 PHE HA 156 PHE QD 3.11 (#peak 9154) &rst ixpk= 9154, nxpk= 0, iat=2369, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2=2375,2383, &end # # 156 PHE HA 156 PHE QE 4.96 (#peak 9157) &rst ixpk= 9157, nxpk= 0, iat=2369, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=2377,2381, &end # # 156 PHE HA 158 THR HN 5.63 (#peak 285) &rst ixpk= 285, nxpk= 0, iat=2369,2404, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end # # 156 PHE HA 159 GLU HN 4.79 (#peak 2393) &rst ixpk= 2393, nxpk= 0, iat=2369,2418, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 156 PHE HA 159 GLU HB2 4.53 (#peak 2396) &rst ixpk= 2396, nxpk= 0, iat=2369,2422, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 156 PHE HA 159 GLU HB3 5.17 (#peak 2400) &rst ixpk= 2400, nxpk= 0, iat=2369,2423, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 156 PHE HA 160 HIS HN 5.76 (#peak 2573) &rst ixpk= 2573, nxpk= 0, iat=2369,2433, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 156 PHE QB 157 MET HN 5.88 (#peak 2135) &rst ixpk= 2135, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1=2371,2372, &end # # 156 PHE QB 157 MET HB2 6.07 (#peak 5060) &rst ixpk= 5060, nxpk= 0, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2371,2372, &end # # 156 PHE QB 158 THR HN 6.10 (#peak 2518) &rst ixpk= 2518, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=2371,2372, &end # # 156 PHE QD 160 HIS HD2 5.25 (#peak 9233) &rst ixpk= 9233, nxpk= 0, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1=2375,2383, &end # # 156 PHE QD 167 ALA QB 5.77 (#peak 9169) &rst ixpk= 9169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2375,2383, igr2=2560,2561,2562, &end # # 156 PHE QD 179 LEU QD1 3.93 (#peak 9166) &rst ixpk= 9166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2375,2383, igr2=2728,2729,2730, &end # # 156 PHE QD 179 LEU QD2 4.19 (#peak 9164) &rst ixpk= 9164, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1=2375,2383, igr2=2732,2733,2734, &end # # 156 PHE QD 181 ALA QB 5.03 (#peak 9159) &rst ixpk= 9159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr1=2375,2383, igr2=2761,2762,2763, &end # # 156 PHE QE 181 ALA QB 3.39 (#peak 9160) &rst ixpk= 9160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=2377,2381, igr2=2761,2762,2763, &end # # 157 MET HN 157 MET QE 6.15 (#peak 2134) &rst ixpk= 2134, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2398,2399,2400, &end # # 157 MET HN 157 MET QG 5.96 (#peak 2136) &rst ixpk= 2136, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2=2394,2395, &end # # 157 MET HN 158 THR HN 5.94 (#peak 2512) &rst ixpk= 2512, nxpk= 0, iat=2387,2404, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 157 MET HN 159 GLU HN 6.15 (#peak 736) &rst ixpk= 736, nxpk= 0, iat=2387,2418, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 157 MET HA 157 MET QE 4.89 (#peak 3783) &rst ixpk= 3783, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=2398,2399,2400, &end # # 157 MET HA 160 HIS HN 5.83 (#peak 2219) &rst ixpk= 2219, nxpk= 0, iat=2389,2433, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 157 MET HA 160 HIS HB3 5.87 (#peak 5789) &rst ixpk= 5789, nxpk= 0, iat=2389,2438, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 157 MET HA 160 HIS HD2 5.64 (#peak 9251) &rst ixpk= 9251, nxpk= 0, iat=2389,2446, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 157 MET HB2 157 MET QE 5.60 (#peak 4092) &rst ixpk= 4092, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2398,2399,2400, &end # # 157 MET HB2 158 THR HN 6.12 (#peak 287) &rst ixpk= 287, nxpk= 0, iat=2391,2404, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 157 MET HB2 159 GLU HN 6.15 (#peak 2520) &rst ixpk= 2520, nxpk= 0, iat=2391,2418, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 157 MET HB3 157 MET QE 4.05 (#peak 1855) &rst ixpk= 1855, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=2398,2399,2400, &end # # 157 MET HB3 158 THR HN 6.15 (#peak 294) &rst ixpk= 294, nxpk= 0, iat=2392,2404, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 157 MET HB3 158 THR QG2 5.76 (#peak 5066) &rst ixpk= 5066, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr2=2410,2411,2412, &end # # 157 MET QE 167 ALA QB 3.88 (#peak 5761) &rst ixpk= 5761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=2398,2399,2400, igr2=2560,2561,2562, &end # # 157 MET QE 169 LEU HB2 4.58 (#peak 5777) &rst ixpk= 5777, nxpk= 0, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=2398,2399,2400, &end # # 157 MET QE 169 LEU HB3 4.56 (#peak 5776) &rst ixpk= 5776, nxpk= 0, iat= -1,2587, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1=2398,2399,2400, &end # # 157 MET QE 169 LEU HG 4.34 (#peak 5775) &rst ixpk= 5775, nxpk= 0, iat= -1,2589, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=2398,2399,2400, &end # # 157 MET QE 169 LEU QD1 4.46 (#peak 5772) &rst ixpk= 5772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=2398,2399,2400, igr2=2591,2592,2593, &end # # 157 MET QE 169 LEU QD2 4.24 (#peak 5774) &rst ixpk= 5774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1=2398,2399,2400, igr2=2595,2596,2597, &end # # 157 MET QG 157 MET QE 3.63 (#peak 1360) &rst ixpk= 1360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=2394,2395, igr2=2398,2399,2400, &end # # 157 MET QG 158 THR HN 4.30 (#peak 2668) &rst ixpk= 2668, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=2394,2395, &end # # 157 MET QG 167 ALA QB 5.53 (#peak 5762) &rst ixpk= 5762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr1=2394,2395, igr2=2560,2561,2562, &end # # 158 THR HN 154 ASN O 2.4 &rst ixpk= 5762, nxpk= 0, iat=2404,2353, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 158 THR HN 158 THR HB 4.07 (#peak 290) &rst ixpk= 290, nxpk= 0, iat=2404,2408, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 158 THR HN 158 THR QG2 6.00 (#peak 283) &rst ixpk= 283, nxpk= 0, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2410,2411,2412, &end # # 158 THR HN 159 GLU HN 4.03 (#peak 2513) &rst ixpk= 2513, nxpk= 0, iat=2404,2418, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 158 THR HN 159 GLU HB3 5.77 (#peak 2700) &rst ixpk= 2700, nxpk= 0, iat=2404,2423, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 158 THR HN 160 HIS HN 5.70 (#peak 2510) &rst ixpk= 2510, nxpk= 0, iat=2404,2433, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 158 THR HA 158 THR QG2 3.80 (#peak 1162) &rst ixpk= 1162, nxpk= 0, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=2410,2411,2412, &end # # 158 THR HA 159 GLU HB3 6.15 (#peak 5794) &rst ixpk= 5794, nxpk= 0, iat=2406,2423, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 158 THR HA 160 HIS HN 5.96 (#peak 2218) &rst ixpk= 2218, nxpk= 0, iat=2406,2433, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 158 THR HA 161 GLU HN 4.96 (#peak 714) &rst ixpk= 714, nxpk= 0, iat=2406,2450, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 158 THR HA 161 GLU HB2 4.70 (#peak 1159) &rst ixpk= 1159, nxpk= 0, iat=2406,2454, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 158 THR HA 161 GLU HB3 5.01 (#peak 1165) &rst ixpk= 1165, nxpk= 0, iat=2406,2455, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 158 THR HA 161 GLU HG3 5.40 (#peak 6548) &rst ixpk= 6548, nxpk= 0, iat=2406,2458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 158 THR HB 159 GLU HN 4.67 (#peak 729) &rst ixpk= 729, nxpk= 0, iat=2408,2418, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 158 THR N 154 ASN O 3.3 &rst ixpk= 729, nxpk= 0, iat=2403,2353, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 158 THR QG2 159 GLU HN 6.11 (#peak 722) &rst ixpk= 722, nxpk= 0, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1=2410,2411,2412, &end # # 158 THR QG2 159 GLU HB2 4.79 (#peak 5790) &rst ixpk= 5790, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=2410,2411,2412, &end # # 158 THR QG2 159 GLU HB3 5.09 (#peak 5793) &rst ixpk= 5793, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=2410,2411,2412, &end # # 158 THR QG2 160 HIS HN 5.00 (#peak 2642) &rst ixpk= 2642, nxpk= 0, iat= -1,2433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=2410,2411,2412, &end # # 158 THR QG2 162 ARG QD 4.66 (#peak 3759) &rst ixpk= 3759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1=2410,2411,2412, igr2=2475,2476, &end # # 159 GLU HN 159 GLU HG2 5.76 (#peak 733) &rst ixpk= 733, nxpk= 0, iat=2418,2425, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 159 GLU HN 159 GLU HG3 5.93 (#peak 731) &rst ixpk= 731, nxpk= 0, iat=2418,2426, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end # # 159 GLU HN 160 HIS HN 5.57 (#peak 737) &rst ixpk= 737, nxpk= 0, iat=2418,2433, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 159 GLU HN 162 ARG QD 6.15 (#peak 2701) &rst ixpk= 2701, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=2475,2476, &end # # 159 GLU HA 162 ARG HN 5.74 (#peak 2574) &rst ixpk= 2574, nxpk= 0, iat=2420,2465, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 159 GLU HA 162 ARG QB 5.23 (#peak 3922) &rst ixpk= 3922, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=2469,2470, &end # # 159 GLU HA 162 ARG QD 5.01 (#peak 5249) &rst ixpk= 5249, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=2475,2476, &end # # 159 GLU HB2 160 HIS HN 6.00 (#peak 2214) &rst ixpk= 2214, nxpk= 0, iat=2422,2433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 159 GLU HB3 160 HIS HN 6.15 (#peak 2206) &rst ixpk= 2206, nxpk= 0, iat=2423,2433, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 159 GLU HG2 160 HIS HN 6.15 (#peak 2217) &rst ixpk= 2217, nxpk= 0, iat=2425,2433, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 160 HIS HN 160 HIS HD2 6.15 (#peak 2212) &rst ixpk= 2212, nxpk= 0, iat=2433,2446, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 160 HIS HN 161 GLU HN 5.42 (#peak 2209) &rst ixpk= 2209, nxpk= 0, iat=2433,2450, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 160 HIS HN 161 GLU HB2 5.15 (#peak 2482) &rst ixpk= 2482, nxpk= 0, iat=2433,2454, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 160 HIS HA 163 LYS HB2 5.48 (#peak 876) &rst ixpk= 876, nxpk= 0, iat=2435,2493, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 160 HIS HA 163 LYS HB3 6.14 (#peak 2080) &rst ixpk= 2080, nxpk= 0, iat=2435,2494, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end # # 160 HIS HA 163 LYS HD2 4.94 (#peak 6389) &rst ixpk= 6389, nxpk= 0, iat=2435,2499, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 160 HIS HA 163 LYS HD3 5.22 (#peak 5742) &rst ixpk= 5742, nxpk= 0, iat=2435,2500, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 160 HIS HB2 161 GLU HN 5.69 (#peak 712) &rst ixpk= 712, nxpk= 0, iat=2437,2450, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 160 HIS HB3 161 GLU HN 5.30 (#peak 703) &rst ixpk= 703, nxpk= 0, iat=2438,2450, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 160 HIS HD2 167 ALA QB 5.87 (#peak 9248) &rst ixpk= 9248, nxpk= 0, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2=2560,2561,2562, &end # # 160 HIS HD2 181 ALA QB 4.90 (#peak 9232) &rst ixpk= 9232, nxpk= 0, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=2761,2762,2763, &end # # 161 GLU HN 161 GLU HG2 5.49 (#peak 713) &rst ixpk= 713, nxpk= 0, iat=2450,2457, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 161 GLU HN 162 ARG HN 6.06 (#peak 315) &rst ixpk= 315, nxpk= 0, iat=2450,2465, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end # # 161 GLU HA 163 LYS HN 5.19 (#peak 1220) &rst ixpk= 1220, nxpk= 0, iat=2452,2489, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 161 GLU HA 165 ARG HN 5.32 (#peak 2575) &rst ixpk= 2575, nxpk= 0, iat=2452,2518, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 161 GLU HB2 162 ARG HN 6.01 (#peak 311) &rst ixpk= 311, nxpk= 0, iat=2454,2465, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 161 GLU HB3 162 ARG HN 5.78 (#peak 318) &rst ixpk= 318, nxpk= 0, iat=2455,2465, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 161 GLU HB3 165 ARG HN 6.15 (#peak 2508) &rst ixpk= 2508, nxpk= 0, iat=2455,2518, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 161 GLU HB3 167 ALA HN 6.14 (#peak 2484) &rst ixpk= 2484, nxpk= 0, iat=2455,2556, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end # # 161 GLU HB3 167 ALA QB 4.62 (#peak 5331) &rst ixpk= 5331, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2=2560,2561,2562, &end # # 161 GLU HG2 162 ARG HN 5.98 (#peak 325) &rst ixpk= 325, nxpk= 0, iat=2457,2465, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 161 GLU HG2 167 ALA QB 5.59 (#peak 5850) &rst ixpk= 5850, nxpk= 0, iat=2457, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr2=2560,2561,2562, &end # # 161 GLU HG3 162 ARG HN 6.12 (#peak 317) &rst ixpk= 317, nxpk= 0, iat=2458,2465, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end # # 161 GLU HG3 167 ALA QB 5.81 (#peak 5849) &rst ixpk= 5849, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=2560,2561,2562, &end # # 162 ARG HN 158 THR O 2.4 &rst ixpk= 5849, nxpk= 0, iat=2465,2416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 162 ARG HN 162 ARG HG2 5.83 (#peak 321) &rst ixpk= 321, nxpk= 0, iat=2465,2472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 162 ARG HN 162 ARG HG3 6.01 (#peak 327) &rst ixpk= 327, nxpk= 0, iat=2465,2473, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 162 ARG HN 162 ARG QD 6.15 (#peak 312) &rst ixpk= 312, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=2475,2476, &end # # 162 ARG HN 163 LYS HN 4.80 (#peak 320) &rst ixpk= 320, nxpk= 0, iat=2465,2489, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 162 ARG HN 164 GLY HN 6.15 (#peak 1373) &rst ixpk= 1373, nxpk= 0, iat=2465,2511, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 162 ARG HA 162 ARG HG2 3.92 (#peak 246) &rst ixpk= 246, nxpk= 0, iat=2467,2472, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 162 ARG HA 162 ARG QD 4.35 (#peak 3756) &rst ixpk= 3756, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=2475,2476, &end # # 162 ARG HA 164 GLY HN 5.66 (#peak 249) &rst ixpk= 249, nxpk= 0, iat=2467,2511, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 162 ARG HG3 162 ARG QD 2.85 (#peak 3760) &rst ixpk= 3760, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2=2475,2476, &end # # 162 ARG N 158 THR O 3.3 &rst ixpk= 3760, nxpk= 0, iat=2464,2416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 162 ARG QB 162 ARG QD 3.29 (#peak 3762) &rst ixpk= 3762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1=2469,2470, igr2=2475,2476, &end # # 162 ARG QB 163 LYS HN 4.14 (#peak 1208) &rst ixpk= 1208, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=2469,2470, &end # # 162 ARG QB 163 LYS HA 5.58 (#peak 5450) &rst ixpk= 5450, nxpk= 0, iat= -1,2491, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1=2469,2470, &end # # 163 LYS HN 159 GLU O 2.4 &rst ixpk= 5450, nxpk= 0, iat=2489,2431, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 163 LYS HN 163 LYS HD2 5.94 (#peak 1222) &rst ixpk= 1222, nxpk= 0, iat=2489,2499, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 163 LYS HN 163 LYS HD3 5.91 (#peak 1209) &rst ixpk= 1209, nxpk= 0, iat=2489,2500, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 163 LYS HN 163 LYS HG2 4.82 (#peak 1213) &rst ixpk= 1213, nxpk= 0, iat=2489,2496, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 163 LYS HN 163 LYS HG3 6.08 (#peak 1223) &rst ixpk= 1223, nxpk= 0, iat=2489,2497, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end # # 163 LYS HN 164 GLY HN 4.20 (#peak 1381) &rst ixpk= 1381, nxpk= 0, iat=2489,2511, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 163 LYS HN 165 ARG HN 5.98 (#peak 2514) &rst ixpk= 2514, nxpk= 0, iat=2489,2518, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end # # 163 LYS HA 163 LYS HD2 4.01 (#peak 1731) &rst ixpk= 1731, nxpk= 0, iat=2491,2499, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 163 LYS HA 163 LYS HD3 4.19 (#peak 2057) &rst ixpk= 2057, nxpk= 0, iat=2491,2500, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 163 LYS HA 163 LYS HG2 4.15 (#peak 1743) &rst ixpk= 1743, nxpk= 0, iat=2491,2496, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 163 LYS HA 163 LYS HG3 4.21 (#peak 1740) &rst ixpk= 1740, nxpk= 0, iat=2491,2497, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 163 LYS HA 163 LYS QE 5.70 (#peak 4010) &rst ixpk= 4010, nxpk= 0, iat=2491, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=2502,2503, &end # # 163 LYS HB2 163 LYS HD2 4.11 (#peak 870) &rst ixpk= 870, nxpk= 0, iat=2493,2499, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 163 LYS HB2 163 LYS HD3 4.03 (#peak 875) &rst ixpk= 875, nxpk= 0, iat=2493,2500, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 163 LYS HB2 163 LYS QE 4.50 (#peak 4008) &rst ixpk= 4008, nxpk= 0, iat=2493, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2502,2503, &end # # 163 LYS HB2 164 GLY HN 6.01 (#peak 1380) &rst ixpk= 1380, nxpk= 0, iat=2493,2511, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end # # 163 LYS HB3 163 LYS HD2 4.02 (#peak 206) &rst ixpk= 206, nxpk= 0, iat=2494,2499, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 163 LYS HB3 163 LYS HD3 3.75 (#peak 2056) &rst ixpk= 2056, nxpk= 0, iat=2494,2500, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 163 LYS HB3 163 LYS QE 6.15 (#peak 1323) &rst ixpk= 1323, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=2502,2503, &end # # 163 LYS HB3 164 GLY HN 6.15 (#peak 1377) &rst ixpk= 1377, nxpk= 0, iat=2494,2511, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 163 LYS HD2 164 GLY HN 6.15 (#peak 1386) &rst ixpk= 1386, nxpk= 0, iat=2499,2511, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 163 LYS HD3 164 GLY HN 5.95 (#peak 1375) &rst ixpk= 1375, nxpk= 0, iat=2500,2511, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 163 LYS HG2 163 LYS QE 3.65 (#peak 4015) &rst ixpk= 4015, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=2502,2503, &end # # 163 LYS HG3 163 LYS QE 3.13 (#peak 4012) &rst ixpk= 4012, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=2502,2503, &end # # 163 LYS N 159 GLU O 3.3 &rst ixpk= 4012, nxpk= 0, iat=2488,2431, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 165 ARG HN 165 ARG QG 6.15 (#peak 1105) &rst ixpk= 1105, nxpk= 0, iat=2518, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=2525,2526, &end # # 165 ARG HN 166 THR HN 5.92 (#peak 1107) &rst ixpk= 1107, nxpk= 0, iat=2518,2542, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 165 ARG HB2 166 THR HN 6.15 (#peak 1184) &rst ixpk= 1184, nxpk= 0, iat=2522,2542, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 165 ARG HB2 183 ALA QB 5.53 (#peak 6495) &rst ixpk= 6495, nxpk= 0, iat=2522, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr2=2790,2791,2792, &end # # 165 ARG HB3 166 THR HN 5.89 (#peak 1190) &rst ixpk= 1190, nxpk= 0, iat=2523,2542, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 165 ARG HD2 183 ALA QB 6.15 (#peak 6497) &rst ixpk= 6497, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2790,2791,2792, &end # # 165 ARG HD3 183 ALA QB 6.15 (#peak 6496) &rst ixpk= 6496, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2790,2791,2792, &end # # 165 ARG QG 166 THR HN 6.15 (#peak 1187) &rst ixpk= 1187, nxpk= 0, iat= -1,2542, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=2525,2526, &end # # 166 THR HN 166 THR QG2 5.82 (#peak 1194) &rst ixpk= 1194, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr2=2548,2549,2550, &end # # 166 THR HN 167 ALA HN 4.99 (#peak 1192) &rst ixpk= 1192, nxpk= 0, iat=2542,2556, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 166 THR HN 181 ALA HA 6.15 (#peak 2651) &rst ixpk= 2651, nxpk= 0, iat=2542,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 166 THR HN 182 ILE HN 5.41 (#peak 2604) &rst ixpk= 2604, nxpk= 0, iat=2542,2767, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 166 THR HN 182 ILE QG2 6.15 (#peak 2576) &rst ixpk= 2576, nxpk= 0, iat=2542, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2773,2774,2775, &end # # 166 THR HA 166 THR QG2 3.73 (#peak 2842) &rst ixpk= 2842, nxpk= 0, iat=2544, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=2548,2549,2550, &end # # 166 THR HB 167 ALA HN 6.15 (#peak 1550) &rst ixpk= 1550, nxpk= 0, iat=2546,2556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 166 THR HB 182 ILE HN 6.15 (#peak 2274) &rst ixpk= 2274, nxpk= 0, iat=2546,2767, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 166 THR HB 182 ILE HB 4.46 (#peak 5832) &rst ixpk= 5832, nxpk= 0, iat=2546,2771, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 166 THR HB 182 ILE HG12 5.32 (#peak 5860) &rst ixpk= 5860, nxpk= 0, iat=2546,2777, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 166 THR HB 182 ILE QD1 4.73 (#peak 5857) &rst ixpk= 5857, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=2780,2781,2782, &end # # 166 THR HB 182 ILE QG2 4.75 (#peak 5337) &rst ixpk= 5337, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=2773,2774,2775, &end # # 166 THR QG2 167 ALA HN 4.40 (#peak 1559) &rst ixpk= 1559, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=2548,2549,2550, &end # # 166 THR QG2 182 ILE HB 4.54 (#peak 5833) &rst ixpk= 5833, nxpk= 0, iat= -1,2771, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=2548,2549,2550, &end # # 166 THR QG2 182 ILE QD1 3.94 (#peak 6312) &rst ixpk= 6312, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=2548,2549,2550, igr2=2780,2781,2782, &end # # 167 ALA HN 167 ALA QB 3.67 (#peak 1549) &rst ixpk= 1549, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=2560,2561,2562, &end # # 167 ALA HN 181 ALA HA 6.15 (#peak 1553) &rst ixpk= 1553, nxpk= 0, iat=2556,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 167 ALA HA 181 ALA HA 4.34 (#peak 2864) &rst ixpk= 2864, nxpk= 0, iat=2558,2759, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 167 ALA HA 181 ALA QB 6.15 (#peak 4777) &rst ixpk= 4777, nxpk= 0, iat=2558, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2761,2762,2763, &end # # 167 ALA HA 182 ILE HN 6.07 (#peak 451) &rst ixpk= 451, nxpk= 0, iat=2558,2767, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end # # 167 ALA QB 168 VAL HN 4.14 (#peak 1852) &rst ixpk= 1852, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=2560,2561,2562, &end # # 167 ALA QB 181 ALA HA 5.04 (#peak 5840) &rst ixpk= 5840, nxpk= 0, iat= -1,2759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=2560,2561,2562, &end # # 167 ALA QB 181 ALA QB 5.90 (#peak 3502) &rst ixpk= 3502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01, igr1=2560,2561,2562, igr2=2761,2762,2763, &end # # 168 VAL HN 168 VAL QG1 4.98 (#peak 1856) &rst ixpk= 1856, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=2572,2573,2574, &end # # 168 VAL HN 168 VAL QG2 4.32 (#peak 1853) &rst ixpk= 1853, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=2576,2577,2578, &end # # 168 VAL HN 169 LEU HN 4.91 (#peak 1861) &rst ixpk= 1861, nxpk= 0, iat=2566,2582, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 168 VAL HN 180 ILE HN 5.41 (#peak 2266) &rst ixpk= 2266, nxpk= 0, iat=2566,2738, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 168 VAL HN 180 ILE O 2.4 &rst ixpk= 2266, nxpk= 0, iat=2566,2755, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 168 VAL HA 168 VAL QG1 4.21 (#peak 3700) &rst ixpk= 3700, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=2572,2573,2574, &end # # 168 VAL HA 168 VAL QG2 3.94 (#peak 3698) &rst ixpk= 3698, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=2576,2577,2578, &end # # 168 VAL HB 169 LEU HN 5.94 (#peak 1970) &rst ixpk= 1970, nxpk= 0, iat=2570,2582, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 168 VAL HB 180 ILE HN 5.97 (#peak 2268) &rst ixpk= 2268, nxpk= 0, iat=2570,2738, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 168 VAL HB 180 ILE HB 4.73 (#peak 6021) &rst ixpk= 6021, nxpk= 0, iat=2570,2742, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 168 VAL HB 180 ILE QD1 5.96 (#peak 5343) &rst ixpk= 5343, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2=2751,2752,2753, &end # # 168 VAL N 180 ILE O 3.3 &rst ixpk= 5343, nxpk= 0, iat=2565,2755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 168 VAL QG1 169 LEU HN 4.57 (#peak 1975) &rst ixpk= 1975, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=2572,2573,2574, &end # # 168 VAL QG2 169 LEU HN 6.02 (#peak 1973) &rst ixpk= 1973, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1=2576,2577,2578, &end # # 168 VAL QG2 169 LEU HA 5.79 (#peak 5339) &rst ixpk= 5339, nxpk= 0, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1=2576,2577,2578, &end # # 168 VAL QG2 180 ILE HB 3.83 (#peak 6020) &rst ixpk= 6020, nxpk= 0, iat= -1,2742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=2576,2577,2578, &end # # 169 LEU HN 137 GLY O 2.4 &rst ixpk= 6020, nxpk= 0, iat=2582,2071, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 169 LEU HN 169 LEU HG 6.15 (#peak 1971) &rst ixpk= 1971, nxpk= 0, iat=2582,2589, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 169 LEU HN 169 LEU QD1 5.89 (#peak 1974) &rst ixpk= 1974, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=2591,2592,2593, &end # # 169 LEU HN 169 LEU QD2 5.98 (#peak 1977) &rst ixpk= 1977, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2=2595,2596,2597, &end # # 169 LEU HN 170 VAL HN 5.94 (#peak 1978) &rst ixpk= 1978, nxpk= 0, iat=2582,2601, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 169 LEU HA 169 LEU HG 4.22 (#peak 811) &rst ixpk= 811, nxpk= 0, iat=2584,2589, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 169 LEU HA 169 LEU QD1 4.51 (#peak 813) &rst ixpk= 813, nxpk= 0, iat=2584, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=2591,2592,2593, &end # # 169 LEU HA 169 LEU QD2 4.61 (#peak 807) &rst ixpk= 807, nxpk= 0, iat=2584, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=2595,2596,2597, &end # # 169 LEU HA 179 LEU HA 4.36 (#peak 2429) &rst ixpk= 2429, nxpk= 0, iat=2584,2721, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 169 LEU HA 180 ILE HN 5.83 (#peak 1838) &rst ixpk= 1838, nxpk= 0, iat=2584,2738, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 169 LEU HB2 169 LEU QD2 3.39 (#peak 1697) &rst ixpk= 1697, nxpk= 0, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=2595,2596,2597, &end # # 169 LEU HB2 170 VAL HN 5.82 (#peak 2226) &rst ixpk= 2226, nxpk= 0, iat=2586,2601, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 169 LEU HB2 178 GLY HN 5.95 (#peak 2715) &rst ixpk= 2715, nxpk= 0, iat=2586,2712, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 169 LEU HB3 170 VAL HN 5.82 (#peak 2225) &rst ixpk= 2225, nxpk= 0, iat=2587,2601, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 169 LEU N 137 GLY O 3.3 &rst ixpk= 2225, nxpk= 0, iat=2581,2071, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 169 LEU QD1 170 VAL HN 5.73 (#peak 2227) &rst ixpk= 2227, nxpk= 0, iat= -1,2601, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, igr1=2591,2592,2593, &end # # 169 LEU QD1 180 ILE HN 6.15 (#peak 2475) &rst ixpk= 2475, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2591,2592,2593, &end # # 169 LEU QD2 179 LEU QD1 5.57 (#peak 4779) &rst ixpk= 4779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1=2595,2596,2597, igr2=2728,2729,2730, &end # # 170 VAL HN 170 VAL QG1 6.15 (#peak 1792) &rst ixpk= 1792, nxpk= 0, iat=2601, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2607,2608,2609, &end # # 170 VAL HN 170 VAL QG2 4.30 (#peak 1795) &rst ixpk= 1795, nxpk= 0, iat=2601, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=2611,2612,2613, &end # # 170 VAL HN 178 GLY O 2.4 &rst ixpk= 1795, nxpk= 0, iat=2601,2717, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 170 VAL HB 177 CYS HB3 5.68 (#peak 6387) &rst ixpk= 6387, nxpk= 0, iat=2605,2706, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 170 VAL HB 178 GLY HN 4.25 (#peak 2445) &rst ixpk= 2445, nxpk= 0, iat=2605,2712, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 170 VAL N 178 GLY O 3.3 &rst ixpk= 2445, nxpk= 0, iat=2600,2717, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 170 VAL QG1 178 GLY HN 5.67 (#peak 2443) &rst ixpk= 2443, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2607,2608,2609, &end # # 171 ALA HN 135 LEU O 2.4 &rst ixpk= 2443, nxpk= 0, iat=2617,2045, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 171 ALA HN 172 VAL HN 5.95 (#peak 2172) &rst ixpk= 2172, nxpk= 0, iat=2617,2627, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end # # 171 ALA HN 172 VAL QG2 5.49 (#peak 2703) &rst ixpk= 2703, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2=2637,2638,2639, &end # # 171 ALA HA 172 VAL HN 3.51 (#peak 2166) &rst ixpk= 2166, nxpk= 0, iat=2619,2627, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 171 ALA HA 175 GLU HN 5.30 (#peak 2704) &rst ixpk= 2704, nxpk= 0, iat=2619,2667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 171 ALA HA 176 LEU HA 4.85 (#peak 4528) &rst ixpk= 4528, nxpk= 0, iat=2619,2684, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 171 ALA HA 176 LEU HB3 5.60 (#peak 6541) &rst ixpk= 6541, nxpk= 0, iat=2619,2687, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 171 ALA HA 176 LEU QD1 4.54 (#peak 6502) &rst ixpk= 6502, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2=2691,2692,2693, &end # # 171 ALA HA 176 LEU QD2 4.79 (#peak 5878) &rst ixpk= 5878, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=2695,2696,2697, &end # # 171 ALA HA 177 CYS HN 6.15 (#peak 1423) &rst ixpk= 1423, nxpk= 0, iat=2619,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 171 ALA HA 178 GLY HN 5.60 (#peak 1505) &rst ixpk= 1505, nxpk= 0, iat=2619,2712, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 171 ALA N 135 LEU O 3.3 &rst ixpk= 1505, nxpk= 0, iat=2616,2045, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 171 ALA QB 172 VAL HN 6.15 (#peak 2173) &rst ixpk= 2173, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2621,2622,2623, &end # # 171 ALA QB 175 GLU HN 5.77 (#peak 2650) &rst ixpk= 2650, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2621,2622,2623, &end # # 172 VAL HN 172 VAL QG1 6.15 (#peak 2176) &rst ixpk= 2176, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2633,2634,2635, &end # # 172 VAL HN 172 VAL QG2 6.15 (#peak 2167) &rst ixpk= 2167, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2637,2638,2639, &end # # 172 VAL HN 175 GLU HN 5.19 (#peak 2711) &rst ixpk= 2711, nxpk= 0, iat=2627,2667, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 172 VAL HN 175 GLU HB3 4.54 (#peak 2712) &rst ixpk= 2712, nxpk= 0, iat=2627,2672, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 172 VAL HN 175 GLU O 2.4 &rst ixpk= 2712, nxpk= 0, iat=2627,2680, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 172 VAL HN 176 LEU HN 5.80 (#peak 900) &rst ixpk= 900, nxpk= 0, iat=2627,2682, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 172 VAL HN 176 LEU HA 4.77 (#peak 2746) &rst ixpk= 2746, nxpk= 0, iat=2627,2684, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 172 VAL HN 177 CYS HN 6.15 (#peak 2378) &rst ixpk= 2378, nxpk= 0, iat=2627,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 172 VAL HA 172 VAL QG1 4.06 (#peak 629) &rst ixpk= 629, nxpk= 0, iat=2629, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=2633,2634,2635, &end # # 172 VAL HB 173 ASP HN 5.81 (#peak 541) &rst ixpk= 541, nxpk= 0, iat=2631,2643, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 172 VAL HB 175 GLU HB3 4.84 (#peak 5867) &rst ixpk= 5867, nxpk= 0, iat=2631,2672, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 172 VAL N 175 GLU O 3.3 &rst ixpk= 5867, nxpk= 0, iat=2626,2680, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 172 VAL QG1 173 ASP HN 5.04 (#peak 546) &rst ixpk= 546, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=2633,2634,2635, &end # # 172 VAL QG2 173 ASP HN 4.73 (#peak 538) &rst ixpk= 538, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=2637,2638,2639, &end # # 172 VAL QG2 175 GLU HN 5.45 (#peak 2707) &rst ixpk= 2707, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=2637,2638,2639, &end # # 172 VAL QG2 177 CYS HB2 5.62 (#peak 4723) &rst ixpk= 4723, nxpk= 0, iat= -1,2705, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1=2637,2638,2639, &end # # 172 VAL QG2 177 CYS HB3 5.22 (#peak 6304) &rst ixpk= 6304, nxpk= 0, iat= -1,2706, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=2637,2638,2639, &end # # 173 ASP HN 174 ASP HN 5.22 (#peak 1717) &rst ixpk= 1717, nxpk= 0, iat=2643,2655, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 173 ASP HA 175 GLU HN 4.92 (#peak 2709) &rst ixpk= 2709, nxpk= 0, iat=2645,2667, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 174 ASP HN 175 GLU HN 4.50 (#peak 568) &rst ixpk= 568, nxpk= 0, iat=2655,2667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 174 ASP QB 175 GLU HN 4.03 (#peak 565) &rst ixpk= 565, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=2659,2660, &end # # 175 GLU HN 172 VAL O 2.4 &rst ixpk= 565, nxpk= 0, iat=2667,2641, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 175 GLU HN 175 GLU HB2 4.03 (#peak 567) &rst ixpk= 567, nxpk= 0, iat=2667,2671, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 175 GLU HN 175 GLU HB3 4.06 (#peak 562) &rst ixpk= 562, nxpk= 0, iat=2667,2672, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 175 GLU HN 175 GLU QG 5.05 (#peak 560) &rst ixpk= 560, nxpk= 0, iat=2667, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2674,2675, &end # # 175 GLU HN 176 LEU HN 4.98 (#peak 890) &rst ixpk= 890, nxpk= 0, iat=2667,2682, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 175 GLU HB2 175 GLU QG 2.48 (#peak 1493) &rst ixpk= 1493, nxpk= 0, iat=2671, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, igr2=2674,2675, &end # # 175 GLU HB2 176 LEU HN 4.67 (#peak 898) &rst ixpk= 898, nxpk= 0, iat=2671,2682, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 175 GLU HB2 177 CYS HB2 6.11 (#peak 6470) &rst ixpk= 6470, nxpk= 0, iat=2671,2705, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end # # 175 GLU HB2 177 CYS HB3 5.11 (#peak 6472) &rst ixpk= 6472, nxpk= 0, iat=2671,2706, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 175 GLU HB3 177 CYS HB2 6.10 (#peak 6471) &rst ixpk= 6471, nxpk= 0, iat=2672,2705, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 175 GLU HB3 177 CYS HB3 4.94 (#peak 6473) &rst ixpk= 6473, nxpk= 0, iat=2672,2706, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 175 GLU N 172 VAL O 3.3 &rst ixpk= 6473, nxpk= 0, iat=2666,2641, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 175 GLU QG 176 LEU HN 5.19 (#peak 887) &rst ixpk= 887, nxpk= 0, iat= -1,2682, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=2674,2675, &end # # 176 LEU HN 176 LEU HB2 3.77 (#peak 889) &rst ixpk= 889, nxpk= 0, iat=2682,2686, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 176 LEU HN 176 LEU HB3 3.89 (#peak 899) &rst ixpk= 899, nxpk= 0, iat=2682,2687, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 176 LEU HN 176 LEU HG 4.68 (#peak 891) &rst ixpk= 891, nxpk= 0, iat=2682,2689, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 176 LEU HN 176 LEU QD1 4.92 (#peak 894) &rst ixpk= 894, nxpk= 0, iat=2682, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=2691,2692,2693, &end # # 176 LEU HN 176 LEU QD2 5.02 (#peak 893) &rst ixpk= 893, nxpk= 0, iat=2682, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=2695,2696,2697, &end # # 176 LEU HN 177 CYS HN 5.53 (#peak 896) &rst ixpk= 896, nxpk= 0, iat=2682,2701, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 176 LEU HA 176 LEU QD1 3.81 (#peak 6319) &rst ixpk= 6319, nxpk= 0, iat=2684, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=2691,2692,2693, &end # # 176 LEU HA 176 LEU QD2 4.83 (#peak 3039) &rst ixpk= 3039, nxpk= 0, iat=2684, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=2695,2696,2697, &end # # 176 LEU HA 178 GLY HN 5.47 (#peak 2579) &rst ixpk= 2579, nxpk= 0, iat=2684,2712, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 176 LEU HB2 176 LEU QD1 3.35 (#peak 2249) &rst ixpk= 2249, nxpk= 0, iat=2686, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=2691,2692,2693, &end # # 176 LEU HB2 176 LEU QD2 3.84 (#peak 1730) &rst ixpk= 1730, nxpk= 0, iat=2686, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=2695,2696,2697, &end # # 176 LEU HB2 177 CYS HN 6.15 (#peak 1424) &rst ixpk= 1424, nxpk= 0, iat=2686,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 176 LEU HB3 176 LEU QD1 3.55 (#peak 2252) &rst ixpk= 2252, nxpk= 0, iat=2687, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=2691,2692,2693, &end # # 176 LEU HB3 176 LEU QD2 3.45 (#peak 3691) &rst ixpk= 3691, nxpk= 0, iat=2687, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=2695,2696,2697, &end # # 176 LEU HB3 177 CYS HN 5.94 (#peak 1434) &rst ixpk= 1434, nxpk= 0, iat=2687,2701, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end # # 176 LEU HG 177 CYS HN 6.15 (#peak 1425) &rst ixpk= 1425, nxpk= 0, iat=2689,2701, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 176 LEU QD1 177 CYS HN 6.15 (#peak 1429) &rst ixpk= 1429, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2691,2692,2693, &end # # 176 LEU QD1 178 GLY HN 5.33 (#peak 2714) &rst ixpk= 2714, nxpk= 0, iat= -1,2712, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=2691,2692,2693, &end # # 176 LEU QD2 177 CYS HN 5.99 (#peak 1428) &rst ixpk= 1428, nxpk= 0, iat= -1,2701, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=2695,2696,2697, &end # # 177 CYS HN 170 VAL O 2.4 &rst ixpk= 1428, nxpk= 0, iat=2701,2615, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 177 CYS HN 178 GLY HN 4.68 (#peak 1510) &rst ixpk= 1510, nxpk= 0, iat=2701,2712, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 177 CYS HA 178 GLY HA2 6.15 (#peak 4725) &rst ixpk= 4725, nxpk= 0, iat=2703,2714, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 177 CYS HA 178 GLY HA3 6.15 (#peak 4726) &rst ixpk= 4726, nxpk= 0, iat=2703,2715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 177 CYS HB2 178 GLY HN 5.03 (#peak 1504) &rst ixpk= 1504, nxpk= 0, iat=2705,2712, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 177 CYS HB3 178 GLY HN 5.16 (#peak 1512) &rst ixpk= 1512, nxpk= 0, iat=2706,2712, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 177 CYS N 170 VAL O 3.3 &rst ixpk= 1512, nxpk= 0, iat=2700,2615, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 178 GLY HN 179 LEU HN 5.37 (#peak 1513) &rst ixpk= 1513, nxpk= 0, iat=2712,2719, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 178 GLY HA2 179 LEU QD2 4.86 (#peak 5825) &rst ixpk= 5825, nxpk= 0, iat=2714, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=2732,2733,2734, &end # # 178 GLY HA3 179 LEU QD2 4.60 (#peak 5824) &rst ixpk= 5824, nxpk= 0, iat=2715, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=2732,2733,2734, &end # # 179 LEU HN 14 LYS O 2.4 &rst ixpk= 5824, nxpk= 0, iat=2719, 217, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 179 LEU HN 179 LEU QD1 6.15 (#peak 2068) &rst ixpk= 2068, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2728,2729,2730, &end # # 179 LEU HN 180 ILE HN 5.23 (#peak 1848) &rst ixpk= 1848, nxpk= 0, iat=2719,2738, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 179 LEU HA 179 LEU QD1 4.11 (#peak 2428) &rst ixpk= 2428, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=2728,2729,2730, &end # # 179 LEU HA 179 LEU QD2 3.98 (#peak 2431) &rst ixpk= 2431, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=2732,2733,2734, &end # # 179 LEU HB2 179 LEU QD1 4.14 (#peak 378) &rst ixpk= 378, nxpk= 0, iat=2723, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=2728,2729,2730, &end # # 179 LEU HB2 179 LEU QD2 3.20 (#peak 1617) &rst ixpk= 1617, nxpk= 0, iat=2723, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=2732,2733,2734, &end # # 179 LEU HB2 180 ILE HN 5.86 (#peak 1839) &rst ixpk= 1839, nxpk= 0, iat=2723,2738, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 179 LEU HB3 179 LEU QD2 3.32 (#peak 1611) &rst ixpk= 1611, nxpk= 0, iat=2724, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=2732,2733,2734, &end # # 179 LEU HB3 180 ILE HN 6.15 (#peak 1845) &rst ixpk= 1845, nxpk= 0, iat=2724,2738, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 179 LEU N 14 LYS O 3.3 &rst ixpk= 1845, nxpk= 0, iat=2718, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 179 LEU QD1 180 ILE HN 5.22 (#peak 1844) &rst ixpk= 1844, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=2728,2729,2730, &end # # 179 LEU QD2 180 ILE HN 6.15 (#peak 1846) &rst ixpk= 1846, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2732,2733,2734, &end # # 180 ILE HN 168 VAL O 2.4 &rst ixpk= 1846, nxpk= 0, iat=2738,2580, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 180 ILE HN 180 ILE HG12 5.71 (#peak 1843) &rst ixpk= 1843, nxpk= 0, iat=2738,2748, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 180 ILE HN 180 ILE QD1 6.15 (#peak 1840) &rst ixpk= 1840, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2751,2752,2753, &end # # 180 ILE HN 180 ILE QG2 5.25 (#peak 1841) &rst ixpk= 1841, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=2744,2745,2746, &end # # 180 ILE HN 181 ALA HN 5.73 (#peak 1842) &rst ixpk= 1842, nxpk= 0, iat=2738,2757, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 180 ILE HA 180 ILE QD1 4.13 (#peak 3411) &rst ixpk= 3411, nxpk= 0, iat=2740, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=2751,2752,2753, &end # # 180 ILE HA 181 ALA QB 5.93 (#peak 6043) &rst ixpk= 6043, nxpk= 0, iat=2740, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr2=2761,2762,2763, &end # # 180 ILE HB 180 ILE QD1 3.85 (#peak 2772) &rst ixpk= 2772, nxpk= 0, iat=2742, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=2751,2752,2753, &end # # 180 ILE HB 181 ALA HN 5.52 (#peak 1260) &rst ixpk= 1260, nxpk= 0, iat=2742,2757, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 180 ILE HB 181 ALA HA 6.15 (#peak 6045) &rst ixpk= 6045, nxpk= 0, iat=2742,2759, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 180 ILE HG12 181 ALA HN 5.69 (#peak 1269) &rst ixpk= 1269, nxpk= 0, iat=2748,2757, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 180 ILE N 168 VAL O 3.3 &rst ixpk= 1269, nxpk= 0, iat=2737,2580, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 180 ILE QG2 180 ILE HG12 3.43 (#peak 2340) &rst ixpk= 2340, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1=2744,2745,2746, &end # # 180 ILE QG2 180 ILE QD1 2.42 (#peak 1055) &rst ixpk= 1055, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1=2744,2745,2746, igr2=2751,2752,2753, &end # # 180 ILE QG2 181 ALA HN 4.48 (#peak 1266) &rst ixpk= 1266, nxpk= 0, iat= -1,2757, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=2744,2745,2746, &end # # 180 ILE QG2 181 ALA HA 6.02 (#peak 6044) &rst ixpk= 6044, nxpk= 0, iat= -1,2759, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1=2744,2745,2746, &end # # 181 ALA HN 12 GLN O 2.4 &rst ixpk= 6044, nxpk= 0, iat=2757, 179, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 181 ALA HN 182 ILE HN 5.10 (#peak 454) &rst ixpk= 454, nxpk= 0, iat=2757,2767, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 181 ALA HA 182 ILE QD1 5.25 (#peak 5842) &rst ixpk= 5842, nxpk= 0, iat=2759, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=2780,2781,2782, &end # # 181 ALA N 12 GLN O 3.3 &rst ixpk= 5842, nxpk= 0, iat=2756, 179, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 181 ALA QB 182 ILE HN 6.15 (#peak 457) &rst ixpk= 457, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2761,2762,2763, &end # # 182 ILE HN 182 ILE HG12 4.57 (#peak 456) &rst ixpk= 456, nxpk= 0, iat=2767,2777, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 182 ILE HN 182 ILE HG13 5.76 (#peak 447) &rst ixpk= 447, nxpk= 0, iat=2767,2778, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 182 ILE HN 182 ILE QD1 5.81 (#peak 444) &rst ixpk= 444, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=2780,2781,2782, &end # # 182 ILE HN 182 ILE QG2 6.15 (#peak 450) &rst ixpk= 450, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=2773,2774,2775, &end # # 182 ILE HN 183 ALA HN 4.83 (#peak 449) &rst ixpk= 449, nxpk= 0, iat=2767,2786, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 182 ILE HA 182 ILE QD1 4.30 (#peak 1452) &rst ixpk= 1452, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=2780,2781,2782, &end # # 182 ILE HA 182 ILE QG2 4.18 (#peak 3911) &rst ixpk= 3911, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2773,2774,2775, &end # # 182 ILE HA 183 ALA QB 4.66 (#peak 5841) &rst ixpk= 5841, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=2790,2791,2792, &end # # 182 ILE HB 182 ILE QD1 4.25 (#peak 1449) &rst ixpk= 1449, nxpk= 0, iat=2771, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=2780,2781,2782, &end # # 182 ILE HB 183 ALA HN 4.52 (#peak 921) &rst ixpk= 921, nxpk= 0, iat=2771,2786, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 182 ILE QD1 183 ALA HN 6.15 (#peak 2566) &rst ixpk= 2566, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=2780,2781,2782, &end # # 182 ILE QG2 182 ILE HG12 3.93 (#peak 3913) &rst ixpk= 3913, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2773,2774,2775, &end # # 182 ILE QG2 182 ILE HG13 3.84 (#peak 1106) &rst ixpk= 1106, nxpk= 0, iat= -1,2778, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=2773,2774,2775, &end # # 182 ILE QG2 182 ILE QD1 3.01 (#peak 3910) &rst ixpk= 3910, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1=2773,2774,2775, igr2=2780,2781,2782, &end # # 182 ILE QG2 183 ALA HN 4.47 (#peak 918) &rst ixpk= 918, nxpk= 0, iat= -1,2786, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=2773,2774,2775, &end # # 183 ALA HN 183 ALA QB 3.48 (#peak 916) &rst ixpk= 916, nxpk= 0, iat=2786, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=2790,2791,2792, &end # # 183 ALA HN 184 ASP HN 4.50 (#peak 910) &rst ixpk= 910, nxpk= 0, iat=2786,2796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 183 ALA HA 184 ASP HN 3.35 (#peak 30) &rst ixpk= 30, nxpk= 0, iat=2788,2796, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 183 ALA QB 184 ASP HN 3.92 (#peak 28) &rst ixpk= 28, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=2790,2791,2792, &end # # 183 ALA QB 185 THR HN 5.77 (#peak 2517) &rst ixpk= 2517, nxpk= 0, iat= -1,2808, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2790,2791,2792, &end # # 184 ASP HN 184 ASP HB2 4.19 (#peak 27) &rst ixpk= 27, nxpk= 0, iat=2796,2800, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 184 ASP HN 184 ASP HB3 4.00 (#peak 31) &rst ixpk= 31, nxpk= 0, iat=2796,2801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 184 ASP HN 185 THR HN 5.88 (#peak 32) &rst ixpk= 32, nxpk= 0, iat=2796,2808, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 184 ASP HB2 185 THR HN 6.15 (#peak 1899) &rst ixpk= 1899, nxpk= 0, iat=2800,2808, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end # # 184 ASP HB3 185 THR HN 5.97 (#peak 1903) &rst ixpk= 1903, nxpk= 0, iat=2801,2808, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end # # 185 THR HN 185 THR QG2 5.92 (#peak 1901) &rst ixpk= 1901, nxpk= 0, iat=2808, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr2=2814,2815,2816, &end # # 185 THR HA 185 THR QG2 3.99 (#peak 797) &rst ixpk= 797, nxpk= 0, iat=2810, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=2814,2815,2816, &end
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