NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
498211 | 2l4o | 17246 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 7 ALA HA 8 THR QG2 4.15 (#peak 2802) &rst ixpk= 2802, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, rk2=50.0, rk3=50.0, ir6=1, ialtd=0, igr2= 97, 98, 99, &end # # 7 ALA QB 8 THR HN 4.97 (#peak 1203) &rst ixpk= 1203, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 85, 86, 87, &end # # 7 ALA QB 8 THR QG2 3.02 (#peak 3543) &rst ixpk= 3543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 85, 86, 87, igr2= 97, 98, 99, &end # # 7 ALA QB 9 VAL HN 5.62 (#peak 522) &rst ixpk= 522, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 85, 86, 87, &end # # 8 THR HN 8 THR HB 4.13 (#peak 2484) &rst ixpk= 2484, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 8 THR HN 8 THR QG2 5.01 (#peak 4154) &rst ixpk= 4154, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 97, 98, 99, &end # # 8 THR HA 8 THR HB 2.75 (#peak 2358) &rst ixpk= 2358, nxpk= 0, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end # # 8 THR HA 9 VAL HN 3.04 (#peak 490) &rst ixpk= 490, nxpk= 0, iat= 93, 105, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 8 THR QG2 9 VAL HN 4.53 (#peak 4155) &rst ixpk= 4155, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 97, 98, 99, &end # # 9 VAL HN 10 PHE HN 4.64 (#peak 382) &rst ixpk= 382, nxpk= 0, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 9 VAL HN 9 VAL HB 3.61 (#peak 521) &rst ixpk= 521, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 9 VAL HN 9 VAL QG2 3.85 (#peak 4315) &rst ixpk= 4315, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 115, 116, 117, &end # # 9 VAL HA 10 PHE HN 3.02 (#peak 385) &rst ixpk= 385, nxpk= 0, iat= 107, 121, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 9 VAL HA 10 PHE QD 5.18 (#peak 2514) &rst ixpk= 2514, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2= 129, 137, &end # # 9 VAL HA 9 VAL QG2 3.21 (#peak 4733) &rst ixpk= 4733, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 115, 116, 117, &end # # 9 VAL HB 10 PHE HN 4.27 (#peak 365) &rst ixpk= 365, nxpk= 0, iat= 109, 121, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 9 VAL QG1 10 PHE HB2 5.75 (#peak 2849) &rst ixpk= 2849, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1= 111, 112, 113, &end # # 9 VAL QG2 10 PHE HN 3.41 (#peak 4328) &rst ixpk= 4328, nxpk= 0, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 115, 116, 117, &end # # 9 VAL QG2 11 ALA HN 5.51 (#peak 147) &rst ixpk= 147, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 115, 116, 117, &end # # 9 VAL QG2 11 ALA QB 3.90 (#peak 3448) &rst ixpk= 3448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 115, 116, 117, igr2= 145, 146, 147, &end # # 10 PHE HN 10 PHE HB2 3.89 (#peak 386) &rst ixpk= 386, nxpk= 0, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 10 PHE HN 10 PHE HB3 3.92 (#peak 387) &rst ixpk= 387, nxpk= 0, iat= 121, 126, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 10 PHE HN 10 PHE QD 4.59 (#peak 523) &rst ixpk= 523, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 129, 137, &end # # 10 PHE HA 10 PHE QD 3.61 (#peak 176) &rst ixpk= 176, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2= 129, 137, &end # # 10 PHE HA 11 ALA HN 2.87 (#peak 2046) &rst ixpk= 2046, nxpk= 0, iat= 123, 141, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 10 PHE HA 11 ALA HA 5.14 (#peak 1320) &rst ixpk= 1320, nxpk= 0, iat= 123, 143, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 10 PHE HB2 115 ASN HA 4.31 (#peak 4350) &rst ixpk= 4350, nxpk= 0, iat= 125,1658, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 10 PHE HB2 11 ALA HN 4.58 (#peak 144) &rst ixpk= 144, nxpk= 0, iat= 125, 141, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 10 PHE HB2 11 ALA QB 5.27 (#peak 3939) &rst ixpk= 3939, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 145, 146, 147, &end # # 10 PHE HB3 115 ASN HA 5.59 (#peak 932) &rst ixpk= 932, nxpk= 0, iat= 126,1658, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 10 PHE HB3 11 ALA HN 4.40 (#peak 2960) &rst ixpk= 2960, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 10 PHE HZ 76 ASN HB2 5.08 (#peak 994) &rst ixpk= 994, nxpk= 0, iat= 133,1091, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 10 PHE QD 115 ASN HA 4.68 (#peak 1909) &rst ixpk= 1909, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 129, 137, &end # # 10 PHE QD 11 ALA HN 4.97 (#peak 603) &rst ixpk= 603, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 129, 137, &end # # 10 PHE QD 11 ALA QB 5.08 (#peak 1100) &rst ixpk= 1100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 129, 137, igr2= 145, 146, 147, &end # # 10 PHE QE 115 ASN HA 4.37 (#peak 1938) &rst ixpk= 1938, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 131, 135, &end # # 10 PHE QE 76 ASN HB2 5.90 (#peak 957) &rst ixpk= 957, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 131, 135, &end # # 11 ALA HN 11 ALA QB 3.09 (#peak 146) &rst ixpk= 146, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2= 145, 146, 147, &end # # 11 ALA QB 12 ALA HN 2.96 (#peak 447) &rst ixpk= 447, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1= 145, 146, 147, &end # # 11 ALA QB 13 GLY HN 5.54 (#peak 3937) &rst ixpk= 3937, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1= 145, 146, 147, &end # # 12 ALA HN 12 ALA HA 2.91 (#peak 413) &rst ixpk= 413, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 12 ALA HN 12 ALA QB 2.98 (#peak 415) &rst ixpk= 415, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 155, 156, 157, &end # # 12 ALA HN 13 GLY HN 4.27 (#peak 1548) &rst ixpk= 1548, nxpk= 0, iat= 151, 161, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 12 ALA HA 13 GLY HN 2.87 (#peak 1385) &rst ixpk= 1385, nxpk= 0, iat= 153, 161, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 12 ALA QB 13 GLY HN 3.69 (#peak 1555) &rst ixpk= 1555, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 155, 156, 157, &end # # 13 GLY HN 14 THR HN 4.41 (#peak 1547) &rst ixpk= 1547, nxpk= 0, iat= 161, 168, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 13 GLY HN 14 THR QG2 4.64 (#peak 1556) &rst ixpk= 1556, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 174, 175, 176, &end # # 13 GLY HA2 14 THR HA 4.74 (#peak 1918) &rst ixpk= 1918, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 13 GLY HA2 14 THR QG2 4.57 (#peak 3276) &rst ixpk= 3276, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 174, 175, 176, &end # # 13 GLY HA3 14 THR QG2 4.44 (#peak 3237) &rst ixpk= 3237, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 174, 175, 176, &end # # 14 THR HN 14 THR QG2 3.94 (#peak 1312) &rst ixpk= 1312, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 174, 175, 176, &end # # 14 THR HA 14 THR QG2 3.11 (#peak 1914) &rst ixpk= 1914, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 174, 175, 176, &end # # 14 THR HA 15 THR HN 3.30 (#peak 4981) &rst ixpk= 4981, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 14 THR HA 15 THR HA 4.89 (#peak 4471) &rst ixpk= 4471, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 14 THR HA 15 THR QG2 3.98 (#peak 2608) &rst ixpk= 2608, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 188, 189, 190, &end # # 14 THR HB 153 PRO HD2 4.60 (#peak 2265) &rst ixpk= 2265, nxpk= 0, iat= 172,2237, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 14 THR HB 153 PRO HD3 4.80 (#peak 2297) &rst ixpk= 2297, nxpk= 0, iat= 172,2238, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 14 THR HB 153 PRO HG2 4.26 (#peak 2260) &rst ixpk= 2260, nxpk= 0, iat= 172,2240, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 14 THR HB 154 LEU HB2 5.90 (#peak 5390) &rst ixpk= 5390, nxpk= 0, iat= 172,2254, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 14 THR HB 15 THR HN 3.57 (#peak 2257) &rst ixpk= 2257, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 14 THR HB 16 THR HN 4.39 (#peak 793) &rst ixpk= 793, nxpk= 0, iat= 172, 196, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 14 THR QG2 118 ALA HA 4.80 (#peak 986) &rst ixpk= 986, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 174, 175, 176, &end # # 14 THR QG2 118 ALA QB 4.11 (#peak 3260) &rst ixpk= 3260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 174, 175, 176, igr2=1707,1708,1709, &end # # 14 THR QG2 153 PRO HA 4.93 (#peak 4525) &rst ixpk= 4525, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 174, 175, 176, &end # # 14 THR QG2 153 PRO HB3 5.13 (#peak 5373) &rst ixpk= 5373, nxpk= 0, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 174, 175, 176, &end # # 14 THR QG2 153 PRO HD2 3.68 (#peak 1915) &rst ixpk= 1915, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 174, 175, 176, &end # # 14 THR QG2 153 PRO HD3 3.87 (#peak 3282) &rst ixpk= 3282, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 174, 175, 176, &end # # 14 THR QG2 153 PRO HG2 3.05 (#peak 4093) &rst ixpk= 4093, nxpk= 0, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 174, 175, 176, &end # # 14 THR QG2 153 PRO HG3 3.98 (#peak 4086) &rst ixpk= 4086, nxpk= 0, iat= -1,2241, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 174, 175, 176, &end # # 14 THR QG2 15 THR HN 3.94 (#peak 3253) &rst ixpk= 3253, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 174, 175, 176, &end # # 15 THR HN 153 PRO HB2 4.26 (#peak 3261) &rst ixpk= 3261, nxpk= 0, iat= 182,2243, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 15 THR HN 153 PRO HB3 4.72 (#peak 1532) &rst ixpk= 1532, nxpk= 0, iat= 182,2244, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 15 THR HN 153 PRO HD2 4.97 (#peak 1941) &rst ixpk= 1941, nxpk= 0, iat= 182,2237, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 15 THR HN 153 PRO HD3 5.72 (#peak 1922) &rst ixpk= 1922, nxpk= 0, iat= 182,2238, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 15 THR HN 153 PRO HG3 5.28 (#peak 1533) &rst ixpk= 1533, nxpk= 0, iat= 182,2241, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 15 THR HN 15 THR HB 4.04 (#peak 2935) &rst ixpk= 2935, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 15 THR HN 15 THR QG2 3.18 (#peak 2598) &rst ixpk= 2598, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 188, 189, 190, &end # # 15 THR HN 16 THR HN 4.14 (#peak 1526) &rst ixpk= 1526, nxpk= 0, iat= 182, 196, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 15 THR HA 15 THR HB 2.98 (#peak 2496) &rst ixpk= 2496, nxpk= 0, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 15 THR HA 15 THR QG2 3.13 (#peak 4494) &rst ixpk= 4494, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 188, 189, 190, &end # # 15 THR HA 16 THR HA 5.90 (#peak 477) &rst ixpk= 477, nxpk= 0, iat= 184, 198, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 THR HB 16 THR HN 4.87 (#peak 2934) &rst ixpk= 2934, nxpk= 0, iat= 186, 196, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 15 THR QG2 154 LEU QQD 3.64 (#peak 2610) &rst ixpk= 2610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 188, 189, 190, igr2=2263,2264,2265,2259,2260,2261, &end # # 15 THR QG2 16 THR HN 4.28 (#peak 1589) &rst ixpk= 1589, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 188, 189, 190, &end # # 16 THR HN 16 THR HB 3.65 (#peak 2548) &rst ixpk= 2548, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 16 THR HN 16 THR QG2 3.87 (#peak 795) &rst ixpk= 795, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 202, 203, 204, &end # # 16 THR HA 16 THR QG2 3.25 (#peak 4729) &rst ixpk= 4729, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2= 202, 203, 204, &end # # 16 THR HA 17 THR HN 3.41 (#peak 4726) &rst ixpk= 4726, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 16 THR HA 17 THR HA 5.90 (#peak 804) &rst ixpk= 804, nxpk= 0, iat= 198, 212, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 16 THR HA 17 THR QG2 4.27 (#peak 2578) &rst ixpk= 2578, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 216, 217, 218, &end # # 16 THR QG2 160 ALA HN 4.04 (#peak 507) &rst ixpk= 507, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 202, 203, 204, &end # # 16 THR QG2 160 ALA QB 2.98 (#peak 2336) &rst ixpk= 2336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 202, 203, 204, igr2=2343,2344,2345, &end # # 16 THR QG2 17 THR HN 3.55 (#peak 917) &rst ixpk= 917, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 202, 203, 204, &end # # 16 THR QG2 17 THR HA 5.60 (#peak 801) &rst ixpk= 801, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 202, 203, 204, &end # # 16 THR QG2 18 SER HN 3.16 (#peak 2331) &rst ixpk= 2331, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr1= 202, 203, 204, &end # # 17 THR HN 17 THR QG2 3.36 (#peak 2650) &rst ixpk= 2650, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 216, 217, 218, &end # # 17 THR HN 18 SER HN 3.61 (#peak 455) &rst ixpk= 455, nxpk= 0, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 17 THR HN 18 SER HA 5.65 (#peak 1763) &rst ixpk= 1763, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 17 THR HA 113 THR HN 4.40 (#peak 1093) &rst ixpk= 1093, nxpk= 0, iat= 212,1632, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 17 THR HA 113 THR QG2 5.39 (#peak 2683) &rst ixpk= 2683, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=1638,1639,1640, &end # # 17 THR HA 114 ALA HN 4.68 (#peak 4543) &rst ixpk= 4543, nxpk= 0, iat= 212,1646, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 17 THR HA 114 ALA HA 3.62 (#peak 707) &rst ixpk= 707, nxpk= 0, iat= 212,1648, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 17 THR HA 114 ALA QB 3.99 (#peak 4570) &rst ixpk= 4570, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1650,1651,1652, &end # # 17 THR HA 17 THR QG2 3.01 (#peak 2688) &rst ixpk= 2688, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 216, 217, 218, &end # # 17 THR HB 113 THR HN 4.67 (#peak 1091) &rst ixpk= 1091, nxpk= 0, iat= 214,1632, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 17 THR HB 114 ALA HA 4.13 (#peak 730) &rst ixpk= 730, nxpk= 0, iat= 214,1648, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 17 THR HB 114 ALA QB 3.07 (#peak 3820) &rst ixpk= 3820, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=1650,1651,1652, &end # # 17 THR HB 18 SER HN 4.51 (#peak 3141) &rst ixpk= 3141, nxpk= 0, iat= 214, 224, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 17 THR QG2 114 ALA HN 4.38 (#peak 253) &rst ixpk= 253, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 216, 217, 218, &end # # 17 THR QG2 114 ALA HA 3.28 (#peak 704) &rst ixpk= 704, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1= 216, 217, 218, &end # # 17 THR QG2 114 ALA QB 2.58 (#peak 2613) &rst ixpk= 2613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 216, 217, 218, igr2=1650,1651,1652, &end # # 18 SER HN 112 ASN HA 4.91 (#peak 919) &rst ixpk= 919, nxpk= 0, iat= 224,1620, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 18 SER HN 113 THR QG2 5.29 (#peak 896) &rst ixpk= 896, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2=1638,1639,1640, &end # # 18 SER HA 111 PHE HN 5.66 (#peak 1749) &rst ixpk= 1749, nxpk= 0, iat= 226,1598, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 18 SER HA 112 ASN HA 3.86 (#peak 1998) &rst ixpk= 1998, nxpk= 0, iat= 226,1620, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 18 SER HA 113 THR HN 3.64 (#peak 5292) &rst ixpk= 5292, nxpk= 0, iat= 226,1632, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 18 SER HA 113 THR HA 5.27 (#peak 1765) &rst ixpk= 1765, nxpk= 0, iat= 226,1634, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 18 SER HA 113 THR QG2 4.01 (#peak 2738) &rst ixpk= 2738, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1638,1639,1640, &end # # 18 SER HA 114 ALA HN 5.30 (#peak 282) &rst ixpk= 282, nxpk= 0, iat= 226,1646, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 18 SER HA 19 VAL HN 3.29 (#peak 5281) &rst ixpk= 5281, nxpk= 0, iat= 226, 235, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 18 SER HA 19 VAL HA 4.95 (#peak 5320) &rst ixpk= 5320, nxpk= 0, iat= 226, 237, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 18 SER HA 19 VAL QG1 4.73 (#peak 437) &rst ixpk= 437, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 241, 242, 243, &end # # 18 SER HB2 112 ASN HA 4.22 (#peak 3721) &rst ixpk= 3721, nxpk= 0, iat= 228,1620, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 18 SER HB2 113 THR HN 5.32 (#peak 3718) &rst ixpk= 3718, nxpk= 0, iat= 228,1632, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 18 SER HB2 19 VAL HN 4.17 (#peak 3719) &rst ixpk= 3719, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 18 SER HB3 111 PHE HN 5.90 (#peak 149) &rst ixpk= 149, nxpk= 0, iat= 229,1598, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 18 SER HB3 112 ASN HA 4.19 (#peak 3727) &rst ixpk= 3727, nxpk= 0, iat= 229,1620, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 18 SER HB3 113 THR HN 5.08 (#peak 3725) &rst ixpk= 3725, nxpk= 0, iat= 229,1632, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 18 SER HB3 113 THR QG2 5.85 (#peak 802) &rst ixpk= 802, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2=1638,1639,1640, &end # # 18 SER HB3 19 VAL HN 3.82 (#peak 651) &rst ixpk= 651, nxpk= 0, iat= 229, 235, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 19 VAL HN 111 PHE HN 4.75 (#peak 842) &rst ixpk= 842, nxpk= 0, iat= 235,1598, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 19 VAL HN 111 PHE HB2 4.83 (#peak 849) &rst ixpk= 849, nxpk= 0, iat= 235,1602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 19 VAL HN 111 PHE O 2.4 &rst ixpk= 849, nxpk= 0, iat= 235,1616, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 19 VAL HN 112 ASN HA 5.32 (#peak 845) &rst ixpk= 845, nxpk= 0, iat= 235,1620, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 19 VAL HN 113 THR QG2 3.65 (#peak 2700) &rst ixpk= 2700, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1638,1639,1640, &end # # 19 VAL HN 19 VAL HB 4.18 (#peak 850) &rst ixpk= 850, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 19 VAL HN 19 VAL QG1 4.16 (#peak 851) &rst ixpk= 851, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 241, 242, 243, &end # # 19 VAL HN 19 VAL QG2 4.44 (#peak 3008) &rst ixpk= 3008, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 245, 246, 247, &end # # 19 VAL HA 160 ALA HN 4.37 (#peak 4853) &rst ixpk= 4853, nxpk= 0, iat= 237,2339, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 19 VAL HA 160 ALA QB 3.39 (#peak 2556) &rst ixpk= 2556, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=2343,2344,2345, &end # # 19 VAL HA 161 HIS HA 4.40 (#peak 4854) &rst ixpk= 4854, nxpk= 0, iat= 237,2351, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 19 VAL HA 19 VAL QG1 3.16 (#peak 2433) &rst ixpk= 2433, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 241, 242, 243, &end # # 19 VAL HA 19 VAL QG2 3.41 (#peak 3012) &rst ixpk= 3012, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 245, 246, 247, &end # # 19 VAL HA 20 THR HN 3.39 (#peak 4852) &rst ixpk= 4852, nxpk= 0, iat= 237, 251, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 19 VAL HA 20 THR HB 5.20 (#peak 4834) &rst ixpk= 4834, nxpk= 0, iat= 237, 255, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 19 VAL HA 65 TRP HZ2 5.87 (#peak 1530) &rst ixpk= 1530, nxpk= 0, iat= 237, 926, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 19 VAL HB 113 THR QG2 3.26 (#peak 2742) &rst ixpk= 2742, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=1638,1639,1640, &end # # 19 VAL HB 65 TRP HH2 4.50 (#peak 1465) &rst ixpk= 1465, nxpk= 0, iat= 239, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 VAL HB 65 TRP HZ2 4.03 (#peak 5085) &rst ixpk= 5085, nxpk= 0, iat= 239, 926, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 19 VAL N 111 PHE O 3.3 &rst ixpk= 5085, nxpk= 0, iat= 234,1616, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 19 VAL QG1 111 PHE HB2 5.72 (#peak 1477) &rst ixpk= 1477, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 241, 242, 243, &end # # 19 VAL QG1 112 ASN HA 5.29 (#peak 2462) &rst ixpk= 2462, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 241, 242, 243, &end # # 19 VAL QG1 113 THR HN 5.40 (#peak 1096) &rst ixpk= 1096, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 241, 242, 243, &end # # 19 VAL QG1 113 THR HA 4.76 (#peak 2538) &rst ixpk= 2538, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 241, 242, 243, &end # # 19 VAL QG1 113 THR QG2 2.91 (#peak 2439) &rst ixpk= 2439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 241, 242, 243, igr2=1638,1639,1640, &end # # 19 VAL QG1 123 ILE QD1 4.51 (#peak 4800) &rst ixpk= 4800, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 241, 242, 243, igr2=1801,1802,1803, &end # # 19 VAL QG1 160 ALA HN 5.90 (#peak 5461) &rst ixpk= 5461, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 241, 242, 243, &end # # 19 VAL QG1 20 THR HN 4.29 (#peak 2414) &rst ixpk= 2414, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 241, 242, 243, &end # # 19 VAL QG1 65 TRP HE1 4.25 (#peak 2415) &rst ixpk= 2415, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 241, 242, 243, &end # # 19 VAL QG1 65 TRP HH2 3.28 (#peak 2431) &rst ixpk= 2431, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1= 241, 242, 243, &end # # 19 VAL QG1 65 TRP HZ2 3.60 (#peak 4213) &rst ixpk= 4213, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 241, 242, 243, &end # # 19 VAL QG1 65 TRP HZ3 5.00 (#peak 1479) &rst ixpk= 1479, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 241, 242, 243, &end # # 19 VAL QG2 111 PHE HB2 4.71 (#peak 3013) &rst ixpk= 3013, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 245, 246, 247, &end # # 19 VAL QG2 123 ILE QD1 4.29 (#peak 3017) &rst ixpk= 3017, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 245, 246, 247, igr2=1801,1802,1803, &end # # 19 VAL QG2 160 ALA HN 5.00 (#peak 3051) &rst ixpk= 3051, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 245, 246, 247, &end # # 19 VAL QG2 160 ALA QB 3.75 (#peak 3015) &rst ixpk= 3015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 245, 246, 247, igr2=2343,2344,2345, &end # # 19 VAL QG2 161 HIS HA 4.07 (#peak 3011) &rst ixpk= 3011, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 245, 246, 247, &end # # 19 VAL QG2 162 VAL HN 5.60 (#peak 4459) &rst ixpk= 4459, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 245, 246, 247, &end # # 19 VAL QG2 20 THR HN 3.71 (#peak 3007) &rst ixpk= 3007, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 245, 246, 247, &end # # 19 VAL QG2 20 THR HA 5.63 (#peak 1715) &rst ixpk= 1715, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 245, 246, 247, &end # # 19 VAL QG2 65 TRP HH2 4.04 (#peak 4464) &rst ixpk= 4464, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 245, 246, 247, &end # # 19 VAL QG2 65 TRP HZ2 3.33 (#peak 3010) &rst ixpk= 3010, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 245, 246, 247, &end # # 20 THR HN 160 ALA HN 5.80 (#peak 1603) &rst ixpk= 1603, nxpk= 0, iat= 251,2339, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 20 THR HN 160 ALA O 2.4 &rst ixpk= 1603, nxpk= 0, iat= 251,2347, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 20 THR HN 160 ALA QB 4.46 (#peak 2551) &rst ixpk= 2551, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2=2343,2344,2345, &end # # 20 THR HN 161 HIS HA 4.18 (#peak 1785) &rst ixpk= 1785, nxpk= 0, iat= 251,2351, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 20 THR HN 20 THR HB 3.28 (#peak 222) &rst ixpk= 222, nxpk= 0, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 20 THR HN 20 THR QG2 4.68 (#peak 234) &rst ixpk= 234, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 257, 258, 259, &end # # 20 THR HN 21 VAL HN 5.56 (#peak 227) &rst ixpk= 227, nxpk= 0, iat= 251, 265, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 20 THR HN 22 HIS HD2 5.90 (#peak 235) &rst ixpk= 235, nxpk= 0, iat= 251, 294, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 20 THR HA 109 ALA HN 4.99 (#peak 171) &rst ixpk= 171, nxpk= 0, iat= 253,1566, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 20 THR HA 109 ALA QB 5.33 (#peak 4978) &rst ixpk= 4978, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1570,1571,1572, &end # # 20 THR HA 110 LYS HA 3.62 (#peak 4976) &rst ixpk= 4976, nxpk= 0, iat= 253,1578, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 20 THR HA 110 LYS HB2 5.47 (#peak 4977) &rst ixpk= 4977, nxpk= 0, iat= 253,1580, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 20 THR HA 110 LYS QG 5.85 (#peak 1713) &rst ixpk= 1713, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=1583,1584, &end # # 20 THR HA 111 PHE HN 4.22 (#peak 4974) &rst ixpk= 4974, nxpk= 0, iat= 253,1598, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 20 THR HA 20 THR QG2 3.43 (#peak 3165) &rst ixpk= 3165, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 257, 258, 259, &end # # 20 THR HA 21 VAL HN 3.45 (#peak 4975) &rst ixpk= 4975, nxpk= 0, iat= 253, 265, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 20 THR HA 21 VAL QG1 4.26 (#peak 2971) &rst ixpk= 2971, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 271, 272, 273, &end # # 20 THR HA 21 VAL QG2 5.90 (#peak 1723) &rst ixpk= 1723, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2= 275, 276, 277, &end # # 20 THR HB 161 HIS HA 4.39 (#peak 841) &rst ixpk= 841, nxpk= 0, iat= 255,2351, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 20 THR HB 161 HIS HE1 4.13 (#peak 2757) &rst ixpk= 2757, nxpk= 0, iat= 255,2359, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 20 THR HB 162 VAL HN 5.36 (#peak 2749) &rst ixpk= 2749, nxpk= 0, iat= 255,2366, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 20 THR HB 21 VAL HN 5.86 (#peak 52) &rst ixpk= 52, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 20 THR HB 22 HIS HD2 5.38 (#peak 2759) &rst ixpk= 2759, nxpk= 0, iat= 255, 294, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 20 THR N 160 ALA O 3.3 &rst ixpk= 2759, nxpk= 0, iat= 250,2347, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 20 THR QG2 104 THR QG2 4.93 (#peak 1682) &rst ixpk= 1682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr1= 257, 258, 259, igr2=1511,1512,1513, &end # # 20 THR QG2 108 GLY HA2 4.52 (#peak 2414) &rst ixpk= 2414, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 257, 258, 259, &end # # 20 THR QG2 108 GLY HA3 3.89 (#peak 2638) &rst ixpk= 2638, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 257, 258, 259, &end # # 20 THR QG2 109 ALA HN 3.72 (#peak 3163) &rst ixpk= 3163, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 257, 258, 259, &end # # 20 THR QG2 110 LYS HA 4.06 (#peak 2273) &rst ixpk= 2273, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 257, 258, 259, &end # # 20 THR QG2 110 LYS HB2 4.11 (#peak 3204) &rst ixpk= 3204, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 257, 258, 259, &end # # 20 THR QG2 110 LYS HB3 4.82 (#peak 3134) &rst ixpk= 3134, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 257, 258, 259, &end # # 20 THR QG2 111 PHE HN 4.82 (#peak 123) &rst ixpk= 123, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 257, 258, 259, &end # # 20 THR QG2 161 HIS HA 4.84 (#peak 1784) &rst ixpk= 1784, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 257, 258, 259, &end # # 20 THR QG2 161 HIS HE1 3.99 (#peak 4588) &rst ixpk= 4588, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 257, 258, 259, &end # # 20 THR QG2 162 VAL HN 5.28 (#peak 281) &rst ixpk= 281, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 257, 258, 259, &end # # 20 THR QG2 21 VAL HN 3.60 (#peak 3164) &rst ixpk= 3164, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 257, 258, 259, &end # # 20 THR QG2 21 VAL HA 5.26 (#peak 2599) &rst ixpk= 2599, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 257, 258, 259, &end # # 20 THR QG2 21 VAL QG2 5.51 (#peak 4594) &rst ixpk= 4594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1= 257, 258, 259, igr2= 275, 276, 277, &end # # 20 THR QG2 22 HIS HA 5.30 (#peak 2038) &rst ixpk= 2038, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 257, 258, 259, &end # # 20 THR QG2 22 HIS HD2 4.33 (#peak 4590) &rst ixpk= 4590, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 257, 258, 259, &end # # 20 THR QG2 22 HIS HE1 3.48 (#peak 4587) &rst ixpk= 4587, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 257, 258, 259, &end # # 21 VAL HN 109 ALA HN 4.84 (#peak 175) &rst ixpk= 175, nxpk= 0, iat= 265,1566, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 21 VAL HN 109 ALA O 2.4 &rst ixpk= 175, nxpk= 0, iat= 265,1574, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 21 VAL HN 109 ALA QB 3.85 (#peak 3451) &rst ixpk= 3451, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=1570,1571,1572, &end # # 21 VAL HN 110 LYS HA 4.49 (#peak 2263) &rst ixpk= 2263, nxpk= 0, iat= 265,1578, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 21 VAL HN 111 PHE HN 5.12 (#peak 114) &rst ixpk= 114, nxpk= 0, iat= 265,1598, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 21 VAL HN 111 PHE QD 5.15 (#peak 65) &rst ixpk= 65, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1606,1614, &end # # 21 VAL HN 111 PHE QE 5.16 (#peak 346) &rst ixpk= 346, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1608,1612, &end # # 21 VAL HN 21 VAL HB 3.92 (#peak 279) &rst ixpk= 279, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 21 VAL HN 21 VAL QG1 3.43 (#peak 2968) &rst ixpk= 2968, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 271, 272, 273, &end # # 21 VAL HN 21 VAL QG2 3.95 (#peak 3427) &rst ixpk= 3427, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 275, 276, 277, &end # # 21 VAL HN 22 HIS HN 5.30 (#peak 293) &rst ixpk= 293, nxpk= 0, iat= 265, 281, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 21 VAL HN 22 HIS HD2 5.90 (#peak 347) &rst ixpk= 347, nxpk= 0, iat= 265, 294, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 21 VAL HA 161 HIS HA 5.20 (#peak 447) &rst ixpk= 447, nxpk= 0, iat= 267,2351, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 21 VAL HA 162 VAL HN 4.26 (#peak 5020) &rst ixpk= 5020, nxpk= 0, iat= 267,2366, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 21 VAL HA 162 VAL HB 4.36 (#peak 5279) &rst ixpk= 5279, nxpk= 0, iat= 267,2370, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 21 VAL HA 162 VAL QG1 3.95 (#peak 2598) &rst ixpk= 2598, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=2372,2373,2374, &end # # 21 VAL HA 162 VAL QG2 3.15 (#peak 3195) &rst ixpk= 3195, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=2376,2377,2378, &end # # 21 VAL HA 163 TYR HN 5.90 (#peak 559) &rst ixpk= 559, nxpk= 0, iat= 267,2382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 21 VAL HA 21 VAL QG1 3.28 (#peak 5019) &rst ixpk= 5019, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 271, 272, 273, &end # # 21 VAL HA 21 VAL QG2 3.36 (#peak 3430) &rst ixpk= 3430, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 275, 276, 277, &end # # 21 VAL HA 22 HIS HN 3.30 (#peak 5017) &rst ixpk= 5017, nxpk= 0, iat= 267, 281, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 21 VAL HA 22 HIS HD2 4.26 (#peak 2603) &rst ixpk= 2603, nxpk= 0, iat= 267, 294, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 21 VAL HB 109 ALA HN 5.83 (#peak 341) &rst ixpk= 341, nxpk= 0, iat= 269,1566, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 21 VAL HB 22 HIS HN 5.23 (#peak 304) &rst ixpk= 304, nxpk= 0, iat= 269, 281, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 21 VAL HB 63 PHE QD 5.36 (#peak 306) &rst ixpk= 306, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 885, 893, &end # # 21 VAL N 109 ALA O 3.3 &rst ixpk= 306, nxpk= 0, iat= 264,1574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 21 VAL QG1 109 ALA HN 4.74 (#peak 2967) &rst ixpk= 2967, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 271, 272, 273, &end # # 21 VAL QG1 110 LYS HA 4.65 (#peak 4492) &rst ixpk= 4492, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 271, 272, 273, &end # # 21 VAL QG1 111 PHE HN 5.35 (#peak 4483) &rst ixpk= 4483, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 271, 272, 273, &end # # 21 VAL QG1 111 PHE HB2 4.31 (#peak 2974) &rst ixpk= 2974, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 271, 272, 273, &end # # 21 VAL QG1 111 PHE HZ 4.08 (#peak 4500) &rst ixpk= 4500, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 271, 272, 273, &end # # 21 VAL QG1 111 PHE QE 3.74 (#peak 2969) &rst ixpk= 2969, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 271, 272, 273, igr2=1608,1612, &end # # 21 VAL QG1 162 VAL HB 4.62 (#peak 2975) &rst ixpk= 2975, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 271, 272, 273, &end # # 21 VAL QG1 22 HIS HN 4.29 (#peak 305) &rst ixpk= 305, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 271, 272, 273, &end # # 21 VAL QG1 63 PHE QB 4.54 (#peak 2898) &rst ixpk= 2898, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 271, 272, 273, igr2= 881, 882, &end # # 21 VAL QG1 63 PHE QD 3.39 (#peak 4488) &rst ixpk= 4488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 271, 272, 273, igr2= 885, 893, &end # # 21 VAL QG1 65 TRP HD1 5.31 (#peak 4482) &rst ixpk= 4482, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 271, 272, 273, &end # # 21 VAL QG1 65 TRP HE1 4.60 (#peak 760) &rst ixpk= 760, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 271, 272, 273, &end # # 21 VAL QG1 65 TRP HZ2 5.45 (#peak 2970) &rst ixpk= 2970, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 271, 272, 273, &end # # 21 VAL QG2 104 THR QG2 3.57 (#peak 3431) &rst ixpk= 3431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 275, 276, 277, igr2=1511,1512,1513, &end # # 21 VAL QG2 109 ALA HN 5.14 (#peak 345) &rst ixpk= 345, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 275, 276, 277, &end # # 21 VAL QG2 109 ALA QB 3.92 (#peak 3458) &rst ixpk= 3458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 275, 276, 277, igr2=1570,1571,1572, &end # # 21 VAL QG2 111 PHE HZ 5.90 (#peak 4803) &rst ixpk= 4803, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 275, 276, 277, &end # # 21 VAL QG2 111 PHE QE 5.11 (#peak 4809) &rst ixpk= 4809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 275, 276, 277, igr2=1608,1612, &end # # 21 VAL QG2 123 ILE HG13 5.90 (#peak 4845) &rst ixpk= 4845, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 275, 276, 277, &end # # 21 VAL QG2 123 ILE QG2 3.89 (#peak 4830) &rst ixpk= 4830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 275, 276, 277, igr2=1794,1795,1796, &end # # 21 VAL QG2 162 VAL HN 5.27 (#peak 4806) &rst ixpk= 4806, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 275, 276, 277, &end # # 21 VAL QG2 162 VAL HA 5.11 (#peak 3435) &rst ixpk= 3435, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 275, 276, 277, &end # # 21 VAL QG2 162 VAL HB 4.34 (#peak 5280) &rst ixpk= 5280, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 275, 276, 277, &end # # 21 VAL QG2 162 VAL QG1 3.42 (#peak 2965) &rst ixpk= 2965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 275, 276, 277, igr2=2372,2373,2374, &end # # 21 VAL QG2 162 VAL QG2 2.95 (#peak 3200) &rst ixpk= 3200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 275, 276, 277, igr2=2376,2377,2378, &end # # 21 VAL QG2 163 TYR HN 5.79 (#peak 573) &rst ixpk= 573, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1= 275, 276, 277, &end # # 21 VAL QG2 164 PRO HD2 4.12 (#peak 3400) &rst ixpk= 3400, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 275, 276, 277, &end # # 21 VAL QG2 164 PRO HD3 3.58 (#peak 3401) &rst ixpk= 3401, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 275, 276, 277, &end # # 21 VAL QG2 164 PRO HG2 5.13 (#peak 1483) &rst ixpk= 1483, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 275, 276, 277, &end # # 21 VAL QG2 164 PRO HG3 4.24 (#peak 1496) &rst ixpk= 1496, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 275, 276, 277, &end # # 21 VAL QG2 22 HIS HN 3.64 (#peak 3460) &rst ixpk= 3460, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1= 275, 276, 277, &end # # 21 VAL QG2 22 HIS HA 5.90 (#peak 2039) &rst ixpk= 2039, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 275, 276, 277, &end # # 21 VAL QG2 22 HIS HB2 5.49 (#peak 3150) &rst ixpk= 3150, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 275, 276, 277, &end # # 21 VAL QG2 22 HIS HD2 5.05 (#peak 4816) &rst ixpk= 4816, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 275, 276, 277, &end # # 21 VAL QG2 23 LYS HN 5.90 (#peak 4804) &rst ixpk= 4804, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 275, 276, 277, &end # # 21 VAL QG2 23 LYS HB2 5.09 (#peak 3317) &rst ixpk= 3317, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 275, 276, 277, &end # # 21 VAL QG2 63 PHE QB 5.15 (#peak 3019) &rst ixpk= 3019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 275, 276, 277, igr2= 881, 882, &end # # 21 VAL QG2 63 PHE QD 3.74 (#peak 4812) &rst ixpk= 4812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 275, 276, 277, igr2= 885, 893, &end # # 21 VAL QG2 63 PHE QE 3.87 (#peak 4811) &rst ixpk= 4811, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 275, 276, 277, igr2= 887, 891, &end # # 22 HIS HN 162 VAL HN 4.94 (#peak 1105) &rst ixpk= 1105, nxpk= 0, iat= 281,2366, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 22 HIS HN 162 VAL HB 5.79 (#peak 303) &rst ixpk= 303, nxpk= 0, iat= 281,2370, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 22 HIS HN 162 VAL O 2.4 &rst ixpk= 303, nxpk= 0, iat= 281,2380, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 22 HIS HN 162 VAL QG1 5.05 (#peak 816) &rst ixpk= 816, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=2372,2373,2374, &end # # 22 HIS HN 162 VAL QG2 3.85 (#peak 3192) &rst ixpk= 3192, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=2376,2377,2378, &end # # 22 HIS HN 163 TYR HN 5.90 (#peak 555) &rst ixpk= 555, nxpk= 0, iat= 281,2382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 HIS HN 163 TYR HA 4.44 (#peak 796) &rst ixpk= 796, nxpk= 0, iat= 281,2384, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 22 HIS HN 163 TYR QD 4.93 (#peak 294) &rst ixpk= 294, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=2390,2399, &end # # 22 HIS HN 163 TYR QE 5.84 (#peak 295) &rst ixpk= 295, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=2392,2397, &end # # 22 HIS HN 164 PRO HD2 4.58 (#peak 1806) &rst ixpk= 1806, nxpk= 0, iat= 281,2404, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 22 HIS HN 164 PRO HD3 4.74 (#peak 1822) &rst ixpk= 1822, nxpk= 0, iat= 281,2405, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 22 HIS HN 22 HIS HD2 4.01 (#peak 811) &rst ixpk= 811, nxpk= 0, iat= 281, 294, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 22 HIS HN 23 LYS HN 5.52 (#peak 291) &rst ixpk= 291, nxpk= 0, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 22 HIS HA 108 GLY HA2 4.97 (#peak 3318) &rst ixpk= 3318, nxpk= 0, iat= 283,1561, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 22 HIS HA 109 ALA HN 5.14 (#peak 2031) &rst ixpk= 2031, nxpk= 0, iat= 283,1566, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 22 HIS HA 22 HIS HD2 5.17 (#peak 2033) &rst ixpk= 2033, nxpk= 0, iat= 283, 294, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 22 HIS HA 23 LYS HN 3.43 (#peak 969) &rst ixpk= 969, nxpk= 0, iat= 283, 298, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 22 HIS HB2 163 TYR QD 3.95 (#peak 3142) &rst ixpk= 3142, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=2390,2399, &end # # 22 HIS HB2 163 TYR QE 4.91 (#peak 3143) &rst ixpk= 3143, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=2392,2397, &end # # 22 HIS HB2 23 LYS HN 5.90 (#peak 321) &rst ixpk= 321, nxpk= 0, iat= 285, 298, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 HIS HB2 24 LEU QD2 5.29 (#peak 755) &rst ixpk= 755, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 333, 334, 335, &end # # 22 HIS HB3 163 TYR QD 4.61 (#peak 756) &rst ixpk= 756, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr2=2390,2399, &end # # 22 HIS HB3 163 TYR QE 5.07 (#peak 3209) &rst ixpk= 3209, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=2392,2397, &end # # 22 HIS HB3 23 LYS HN 5.73 (#peak 3206) &rst ixpk= 3206, nxpk= 0, iat= 286, 298, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 22 HIS HB3 24 LEU QD2 5.41 (#peak 711) &rst ixpk= 711, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 333, 334, 335, &end # # 22 HIS HD2 104 THR QG2 5.90 (#peak 1246) &rst ixpk= 1246, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1511,1512,1513, &end # # 22 HIS HD2 161 HIS HA 4.01 (#peak 1777) &rst ixpk= 1777, nxpk= 0, iat= 294,2351, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 22 HIS HD2 161 HIS HB2 4.02 (#peak 3064) &rst ixpk= 3064, nxpk= 0, iat= 294,2353, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 22 HIS HD2 161 HIS HB3 4.11 (#peak 3108) &rst ixpk= 3108, nxpk= 0, iat= 294,2354, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 22 HIS HD2 162 VAL HN 3.81 (#peak 273) &rst ixpk= 273, nxpk= 0, iat= 294,2366, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 22 HIS HD2 162 VAL HA 5.27 (#peak 1980) &rst ixpk= 1980, nxpk= 0, iat= 294,2368, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 22 HIS HD2 162 VAL HB 5.40 (#peak 3594) &rst ixpk= 3594, nxpk= 0, iat= 294,2370, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 22 HIS HD2 162 VAL QG1 5.58 (#peak 4382) &rst ixpk= 4382, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr2=2372,2373,2374, &end # # 22 HIS HD2 162 VAL QG2 4.57 (#peak 4531) &rst ixpk= 4531, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=2376,2377,2378, &end # # 22 HIS HD2 163 TYR HA 5.57 (#peak 339) &rst ixpk= 339, nxpk= 0, iat= 294,2384, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 22 HIS HD2 163 TYR QE 4.37 (#peak 1518) &rst ixpk= 1518, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=2392,2397, &end # # 22 HIS N 162 VAL O 3.3 &rst ixpk= 1518, nxpk= 0, iat= 280,2380, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 23 LYS HN 104 THR QG2 4.16 (#peak 2019) &rst ixpk= 2019, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1511,1512,1513, &end # # 23 LYS HN 164 PRO HD2 5.90 (#peak 363) &rst ixpk= 363, nxpk= 0, iat= 298,2404, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 LYS HN 24 LEU HN 5.90 (#peak 326) &rst ixpk= 326, nxpk= 0, iat= 298, 320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 LYS HN 24 LEU HA 5.74 (#peak 22) &rst ixpk= 22, nxpk= 0, iat= 298, 322, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 23 LYS HN 63 PHE QE 5.77 (#peak 24) &rst ixpk= 24, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr2= 887, 891, &end # # 23 LYS HA 104 THR QG2 5.88 (#peak 501) &rst ixpk= 501, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr2=1511,1512,1513, &end # # 23 LYS HA 163 TYR HA 5.39 (#peak 5450) &rst ixpk= 5450, nxpk= 0, iat= 300,2384, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 23 LYS HA 164 PRO HD2 3.96 (#peak 657) &rst ixpk= 657, nxpk= 0, iat= 300,2404, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 23 LYS HA 164 PRO HG2 5.36 (#peak 1478) &rst ixpk= 1478, nxpk= 0, iat= 300,2407, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 23 LYS HA 164 PRO HG3 5.13 (#peak 1493) &rst ixpk= 1493, nxpk= 0, iat= 300,2408, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 23 LYS HA 23 LYS HG2 4.13 (#peak 1332) &rst ixpk= 1332, nxpk= 0, iat= 300, 305, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 23 LYS HA 23 LYS HG3 4.11 (#peak 808) &rst ixpk= 808, nxpk= 0, iat= 300, 306, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 23 LYS HA 23 LYS QE 4.86 (#peak 3825) &rst ixpk= 3825, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2= 311, 312, &end # # 23 LYS HA 24 LEU HB2 5.90 (#peak 495) &rst ixpk= 495, nxpk= 0, iat= 300, 324, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 LYS HB2 104 THR HB 5.30 (#peak 2747) &rst ixpk= 2747, nxpk= 0, iat= 302,1509, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 23 LYS HB2 104 THR QG2 4.35 (#peak 2073) &rst ixpk= 2073, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1511,1512,1513, &end # # 23 LYS HB2 58 ILE QG1 4.88 (#peak 3321) &rst ixpk= 3321, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 818, 819, &end # # 23 LYS HB2 61 VAL QG1 4.18 (#peak 2566) &rst ixpk= 2566, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 850, 851, 852, &end # # 23 LYS HB2 63 PHE QE 4.92 (#peak 3296) &rst ixpk= 3296, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 887, 891, &end # # 23 LYS HB3 104 THR QG2 4.22 (#peak 2074) &rst ixpk= 2074, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=1511,1512,1513, &end # # 23 LYS HB3 61 VAL QG2 5.12 (#peak 301) &rst ixpk= 301, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 854, 855, 856, &end # # 23 LYS HB3 63 PHE QE 4.81 (#peak 298) &rst ixpk= 298, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 887, 891, &end # # 23 LYS HG2 24 LEU HN 4.52 (#peak 1335) &rst ixpk= 1335, nxpk= 0, iat= 305, 320, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 23 LYS HG2 25 LEU QD2 5.04 (#peak 1333) &rst ixpk= 1333, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2= 352, 353, 354, &end # # 23 LYS HG2 61 VAL QG2 5.08 (#peak 1334) &rst ixpk= 1334, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr2= 854, 855, 856, &end # # 23 LYS HG3 23 LYS QE 4.20 (#peak 1343) &rst ixpk= 1343, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 311, 312, &end # # 23 LYS HG3 24 LEU HN 4.98 (#peak 1376) &rst ixpk= 1376, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 23 LYS QD 58 ILE QD1 4.85 (#peak 5503) &rst ixpk= 5503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 308, 309, igr2= 821, 822, 823, &end # # 23 LYS QD 58 ILE QG1 5.10 (#peak 2022) &rst ixpk= 2022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 308, 309, igr2= 818, 819, &end # # 23 LYS QD 61 VAL QG1 3.86 (#peak 2543) &rst ixpk= 2543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 308, 309, igr2= 850, 851, 852, &end # # 23 LYS QD 63 PHE QD 5.37 (#peak 3883) &rst ixpk= 3883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1= 308, 309, igr2= 885, 893, &end # # 23 LYS QE 25 LEU HB2 5.55 (#peak 3932) &rst ixpk= 3932, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 311, 312, &end # # 23 LYS QE 25 LEU QD1 4.46 (#peak 3117) &rst ixpk= 3117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1= 311, 312, igr2= 348, 349, 350, &end # # 23 LYS QE 25 LEU QD2 3.24 (#peak 2322) &rst ixpk= 2322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1= 311, 312, igr2= 352, 353, 354, &end # # 23 LYS QE 58 ILE QD1 5.86 (#peak 3125) &rst ixpk= 3125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, igr1= 311, 312, igr2= 821, 822, 823, &end # # 23 LYS QE 61 VAL QG2 4.65 (#peak 2699) &rst ixpk= 2699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 311, 312, igr2= 854, 855, 856, &end # # 24 LEU HN 24 LEU HB2 4.17 (#peak 92) &rst ixpk= 92, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 24 LEU HN 24 LEU HG 5.40 (#peak 1540) &rst ixpk= 1540, nxpk= 0, iat= 320, 327, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 24 LEU HN 24 LEU QD1 4.52 (#peak 4313) &rst ixpk= 4313, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 329, 330, 331, &end # # 24 LEU HN 24 LEU QD2 4.14 (#peak 93) &rst ixpk= 93, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 333, 334, 335, &end # # 24 LEU HA 24 LEU HG 3.85 (#peak 1273) &rst ixpk= 1273, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 24 LEU HA 24 LEU QD1 4.06 (#peak 1703) &rst ixpk= 1703, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 329, 330, 331, &end # # 24 LEU HA 24 LEU QD2 2.93 (#peak 2446) &rst ixpk= 2446, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 333, 334, 335, &end # # 24 LEU HA 25 LEU HN 3.33 (#peak 1271) &rst ixpk= 1271, nxpk= 0, iat= 322, 339, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 24 LEU HA 25 LEU HA 5.41 (#peak 397) &rst ixpk= 397, nxpk= 0, iat= 322, 341, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 24 LEU HA 56 LYS HN 5.24 (#peak 1706) &rst ixpk= 1706, nxpk= 0, iat= 322, 771, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 24 LEU HA 57 GLU HA 3.74 (#peak 542) &rst ixpk= 542, nxpk= 0, iat= 322, 795, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 24 LEU HA 57 GLU HG2 5.90 (#peak 402) &rst ixpk= 402, nxpk= 0, iat= 322, 800, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 24 LEU HB2 163 TYR HB3 5.32 (#peak 3596) &rst ixpk= 3596, nxpk= 0, iat= 324,2387, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 24 LEU HB2 163 TYR QD 4.36 (#peak 1321) &rst ixpk= 1321, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=2390,2399, &end # # 24 LEU HB2 24 LEU QD1 3.19 (#peak 1959) &rst ixpk= 1959, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 329, 330, 331, &end # # 24 LEU HB2 25 LEU HN 4.78 (#peak 699) &rst ixpk= 699, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 24 LEU HB3 25 LEU HN 4.60 (#peak 242) &rst ixpk= 242, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 24 LEU HG 163 TYR QD 4.05 (#peak 3645) &rst ixpk= 3645, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=2390,2399, &end # # 24 LEU HG 163 TYR QE 5.65 (#peak 1512) &rst ixpk= 1512, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2=2392,2397, &end # # 24 LEU QD1 163 TYR HB2 5.02 (#peak 3072) &rst ixpk= 3072, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 329, 330, 331, &end # # 24 LEU QD1 163 TYR HB3 4.52 (#peak 3116) &rst ixpk= 3116, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 329, 330, 331, &end # # 24 LEU QD1 163 TYR QD 3.30 (#peak 4318) &rst ixpk= 4318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr1= 329, 330, 331, igr2=2390,2399, &end # # 24 LEU QD1 163 TYR QE 4.50 (#peak 4320) &rst ixpk= 4320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 329, 330, 331, igr2=2392,2397, &end # # 24 LEU QD1 25 LEU HN 5.07 (#peak 243) &rst ixpk= 243, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 329, 330, 331, &end # # 24 LEU QD1 57 GLU HG2 4.08 (#peak 3284) &rst ixpk= 3284, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 329, 330, 331, &end # # 24 LEU QD1 57 GLU HG3 4.83 (#peak 1958) &rst ixpk= 1958, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 329, 330, 331, &end # # 24 LEU QD2 163 TYR HA 4.39 (#peak 797) &rst ixpk= 797, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 333, 334, 335, &end # # 24 LEU QD2 163 TYR QD 3.57 (#peak 2385) &rst ixpk= 2385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 333, 334, 335, igr2=2390,2399, &end # # 24 LEU QD2 25 LEU HN 4.14 (#peak 703) &rst ixpk= 703, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 333, 334, 335, &end # # 24 LEU QD2 57 GLU HA 3.02 (#peak 2447) &rst ixpk= 2447, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr1= 333, 334, 335, &end # # 24 LEU QD2 57 GLU HB2 4.41 (#peak 1101) &rst ixpk= 1101, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 333, 334, 335, &end # # 24 LEU QD2 57 GLU HG2 3.48 (#peak 2450) &rst ixpk= 2450, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 333, 334, 335, &end # # 24 LEU QD2 57 GLU HG3 4.83 (#peak 5168) &rst ixpk= 5168, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 333, 334, 335, &end # # 24 LEU QD2 58 ILE HN 4.53 (#peak 2444) &rst ixpk= 2444, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 333, 334, 335, &end # # 24 LEU QQD 163 TYR HB3 5.04 (#peak 1021) &rst ixpk= 1021, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 333, 334, 335, 329, 330, 331, &end # # 24 LEU QQD 163 TYR QD 3.99 (#peak 202) &rst ixpk= 202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 333, 334, 335, 329, 330, 331, igr2=2390,2399, &end # # 24 LEU QQD 163 TYR QE 5.37 (#peak 300) &rst ixpk= 300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr1= 333, 334, 335, 329, 330, 331, igr2=2392,2397, &end # # 24 LEU QQD 38 LEU QD2 5.62 (#peak 1674) &rst ixpk= 1674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr1= 333, 334, 335, 329, 330, 331, igr2= 535, 536, 537, &end # # 24 LEU QQD 57 GLU HG2 5.63 (#peak 1527) &rst ixpk= 1527, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, igr1= 333, 334, 335, 329, 330, 331, &end # # 25 LEU HN 25 LEU HB2 4.15 (#peak 2995) &rst ixpk= 2995, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 25 LEU HN 25 LEU HG 5.20 (#peak 1746) &rst ixpk= 1746, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 25 LEU HN 25 LEU QD1 4.87 (#peak 245) &rst ixpk= 245, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 348, 349, 350, &end # # 25 LEU HN 25 LEU QD2 4.33 (#peak 4348) &rst ixpk= 4348, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 352, 353, 354, &end # # 25 LEU HN 26 ALA HN 5.05 (#peak 574) &rst ixpk= 574, nxpk= 0, iat= 339, 358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 25 LEU HN 56 LYS HN 4.11 (#peak 233) &rst ixpk= 233, nxpk= 0, iat= 339, 771, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 25 LEU HN 57 GLU HA 4.78 (#peak 697) &rst ixpk= 697, nxpk= 0, iat= 339, 795, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 25 LEU HN 58 ILE QD1 5.75 (#peak 4690) &rst ixpk= 4690, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2= 821, 822, 823, &end # # 25 LEU HA 165 LYS HA 4.68 (#peak 5491) &rst ixpk= 5491, nxpk= 0, iat= 341,2419, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 25 LEU HA 25 LEU QD1 4.24 (#peak 2064) &rst ixpk= 2064, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2= 348, 349, 350, &end # # 25 LEU HA 25 LEU QD2 2.96 (#peak 2346) &rst ixpk= 2346, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 352, 353, 354, &end # # 25 LEU HA 26 ALA HN 3.25 (#peak 1132) &rst ixpk= 1132, nxpk= 0, iat= 341, 358, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 25 LEU HA 26 ALA QB 4.05 (#peak 3216) &rst ixpk= 3216, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 362, 363, 364, &end # # 25 LEU HA 31 MET QE 2.99 (#peak 4183) &rst ixpk= 4183, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2= 424, 425, 426, &end # # 25 LEU HB2 26 ALA HN 4.45 (#peak 2996) &rst ixpk= 2996, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 25 LEU HB2 57 GLU HA 5.90 (#peak 480) &rst ixpk= 480, nxpk= 0, iat= 343, 795, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 25 LEU HB2 58 ILE QD1 3.76 (#peak 5174) &rst ixpk= 5174, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 821, 822, 823, &end # # 25 LEU HB3 25 LEU QD1 3.89 (#peak 3035) &rst ixpk= 3035, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 348, 349, 350, &end # # 25 LEU HB3 25 LEU QD2 3.19 (#peak 2348) &rst ixpk= 2348, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 352, 353, 354, &end # # 25 LEU HB3 26 ALA HN 4.05 (#peak 2990) &rst ixpk= 2990, nxpk= 0, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 25 LEU HB3 58 ILE QD1 5.21 (#peak 2994) &rst ixpk= 2994, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 821, 822, 823, &end # # 25 LEU HB3 58 ILE QG2 5.76 (#peak 5494) &rst ixpk= 5494, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr2= 814, 815, 816, &end # # 25 LEU HG 26 ALA HN 5.00 (#peak 1745) &rst ixpk= 1745, nxpk= 0, iat= 346, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 25 LEU HG 58 ILE QD1 4.36 (#peak 1719) &rst ixpk= 1719, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 821, 822, 823, &end # # 25 LEU HG 58 ILE QG2 4.48 (#peak 5495) &rst ixpk= 5495, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 814, 815, 816, &end # # 25 LEU QD1 143 SER HN 5.90 (#peak 1630) &rst ixpk= 1630, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 348, 349, 350, &end # # 25 LEU QD1 143 SER QB 4.41 (#peak 4208) &rst ixpk= 4208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 348, 349, 350, igr2=2080,2081, &end # # 25 LEU QD1 166 ASN HD21 4.79 (#peak 39) &rst ixpk= 39, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 348, 349, 350, &end # # 25 LEU QD1 56 LYS HG3 5.90 (#peak 2302) &rst ixpk= 2302, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 348, 349, 350, &end # # 25 LEU QD1 56 LYS QE 5.22 (#peak 3984) &rst ixpk= 3984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 348, 349, 350, igr2= 784, 785, &end # # 25 LEU QD2 143 SER HN 5.90 (#peak 1629) &rst ixpk= 1629, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 352, 353, 354, &end # # 25 LEU QD2 166 ASN HD22 4.89 (#peak 2320) &rst ixpk= 2320, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 352, 353, 354, &end # # 25 LEU QD2 26 ALA HN 3.94 (#peak 476) &rst ixpk= 476, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 352, 353, 354, &end # # 25 LEU QD2 31 MET QE 4.88 (#peak 2344) &rst ixpk= 2344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 352, 353, 354, igr2= 424, 425, 426, &end # # 25 LEU QD2 56 LYS QE 4.78 (#peak 2992) &rst ixpk= 2992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 352, 353, 354, igr2= 784, 785, &end # # 25 LEU QD2 58 ILE QD1 4.10 (#peak 4689) &rst ixpk= 4689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 352, 353, 354, igr2= 821, 822, 823, &end # # 26 ALA HN 26 ALA QB 3.04 (#peak 3208) &rst ixpk= 3208, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 362, 363, 364, &end # # 26 ALA HN 27 THR HN 5.30 (#peak 430) &rst ixpk= 430, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 26 ALA HN 31 MET QE 3.63 (#peak 4181) &rst ixpk= 4181, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 424, 425, 426, &end # # 26 ALA HA 27 THR HA 4.83 (#peak 1741) &rst ixpk= 1741, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 26 ALA HA 27 THR QG2 4.04 (#peak 1735) &rst ixpk= 1735, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 374, 375, 376, &end # # 26 ALA HA 28 ASP HN 5.28 (#peak 1739) &rst ixpk= 1739, nxpk= 0, iat= 360, 382, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 26 ALA HA 30 ASP HN 5.45 (#peak 1740) &rst ixpk= 1740, nxpk= 0, iat= 360, 401, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 26 ALA HA 30 ASP HB2 5.66 (#peak 1747) &rst ixpk= 1747, nxpk= 0, iat= 360, 405, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 26 ALA HA 31 MET QE 5.08 (#peak 1742) &rst ixpk= 1742, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr2= 424, 425, 426, &end # # 26 ALA HA 34 ILE QD1 3.66 (#peak 1906) &rst ixpk= 1906, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 477, 478, 479, &end # # 26 ALA HA 55 ALA HA 4.35 (#peak 422) &rst ixpk= 422, nxpk= 0, iat= 360, 763, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 26 ALA HA 56 LYS HN 4.75 (#peak 254) &rst ixpk= 254, nxpk= 0, iat= 360, 771, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 26 ALA QB 27 THR HN 3.80 (#peak 3247) &rst ixpk= 3247, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 362, 363, 364, &end # # 26 ALA QB 29 GLY HN 4.12 (#peak 3215) &rst ixpk= 3215, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 362, 363, 364, &end # # 26 ALA QB 29 GLY HA2 3.76 (#peak 3250) &rst ixpk= 3250, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 362, 363, 364, &end # # 26 ALA QB 29 GLY HA3 3.97 (#peak 3173) &rst ixpk= 3173, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 362, 363, 364, &end # # 26 ALA QB 30 ASP HN 3.25 (#peak 3209) &rst ixpk= 3209, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr1= 362, 363, 364, &end # # 26 ALA QB 30 ASP HA 5.03 (#peak 3210) &rst ixpk= 3210, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 362, 363, 364, &end # # 26 ALA QB 30 ASP HB2 5.33 (#peak 4384) &rst ixpk= 4384, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 362, 363, 364, &end # # 26 ALA QB 30 ASP HB3 4.21 (#peak 3979) &rst ixpk= 3979, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 362, 363, 364, &end # # 26 ALA QB 31 MET HN 4.61 (#peak 514) &rst ixpk= 514, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 362, 363, 364, &end # # 26 ALA QB 31 MET HA 3.43 (#peak 3211) &rst ixpk= 3211, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 362, 363, 364, &end # # 26 ALA QB 31 MET HB2 4.34 (#peak 3137) &rst ixpk= 3137, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 362, 363, 364, &end # # 26 ALA QB 31 MET HB3 4.34 (#peak 380) &rst ixpk= 380, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 362, 363, 364, &end # # 26 ALA QB 31 MET HG3 4.30 (#peak 3980) &rst ixpk= 3980, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 362, 363, 364, &end # # 26 ALA QB 31 MET QE 2.58 (#peak 4189) &rst ixpk= 4189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 362, 363, 364, igr2= 424, 425, 426, &end # # 26 ALA QB 34 ILE QD1 3.00 (#peak 3217) &rst ixpk= 3217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 362, 363, 364, igr2= 477, 478, 479, &end # # 26 ALA QB 56 LYS HN 4.97 (#peak 3322) &rst ixpk= 3322, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 362, 363, 364, &end # # 27 THR HN 27 THR QG2 3.24 (#peak 2616) &rst ixpk= 2616, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 374, 375, 376, &end # # 27 THR HN 28 ASP HN 4.86 (#peak 873) &rst ixpk= 873, nxpk= 0, iat= 368, 382, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 27 THR HN 28 ASP HB3 5.90 (#peak 3170) &rst ixpk= 3170, nxpk= 0, iat= 368, 387, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 27 THR HN 54 ASN HB2 4.57 (#peak 4917) &rst ixpk= 4917, nxpk= 0, iat= 368, 751, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 27 THR HN 55 ALA HA 4.53 (#peak 1684) &rst ixpk= 1684, nxpk= 0, iat= 368, 763, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 27 THR HN 56 LYS HN 5.76 (#peak 650) &rst ixpk= 650, nxpk= 0, iat= 368, 771, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 27 THR HA 27 THR QG2 2.92 (#peak 2619) &rst ixpk= 2619, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 374, 375, 376, &end # # 27 THR HA 56 LYS QD 4.91 (#peak 4348) &rst ixpk= 4348, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 781, 782, &end # # 27 THR HB 28 ASP HN 4.73 (#peak 3206) &rst ixpk= 3206, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 27 THR QG2 28 ASP HN 4.55 (#peak 766) &rst ixpk= 766, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 374, 375, 376, &end # # 27 THR QG2 54 ASN HA 4.72 (#peak 1261) &rst ixpk= 1261, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 374, 375, 376, &end # # 27 THR QG2 55 ALA HA 3.98 (#peak 1808) &rst ixpk= 1808, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 374, 375, 376, &end # # 27 THR QG2 56 LYS HN 4.40 (#peak 2617) &rst ixpk= 2617, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 374, 375, 376, &end # # 27 THR QG2 56 LYS HB3 3.08 (#peak 3771) &rst ixpk= 3771, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1= 374, 375, 376, &end # # 27 THR QG2 56 LYS QD 3.36 (#peak 3748) &rst ixpk= 3748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 374, 375, 376, igr2= 781, 782, &end # # 27 THR QG2 56 LYS QE 4.41 (#peak 5493) &rst ixpk= 5493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 374, 375, 376, igr2= 784, 785, &end # # 28 ASP HN 29 GLY HA2 5.66 (#peak 854) &rst ixpk= 854, nxpk= 0, iat= 382, 396, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 28 ASP HA 30 ASP HN 5.90 (#peak 2005) &rst ixpk= 2005, nxpk= 0, iat= 384, 401, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 28 ASP HB3 30 ASP HN 5.69 (#peak 595) &rst ixpk= 595, nxpk= 0, iat= 387, 401, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 29 GLY HN 30 ASP HN 4.28 (#peak 589) &rst ixpk= 589, nxpk= 0, iat= 394, 401, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 30 ASP HN 30 ASP HB2 3.85 (#peak 2936) &rst ixpk= 2936, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 30 ASP HN 30 ASP HB3 3.63 (#peak 596) &rst ixpk= 596, nxpk= 0, iat= 401, 406, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 30 ASP HN 31 MET HN 4.64 (#peak 703) &rst ixpk= 703, nxpk= 0, iat= 401, 413, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 30 ASP HN 31 MET QE 5.68 (#peak 597) &rst ixpk= 597, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2= 424, 425, 426, &end # # 30 ASP HN 33 LYS HG2 5.67 (#peak 3805) &rst ixpk= 3805, nxpk= 0, iat= 401, 449, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end # # 30 ASP HN 33 LYS QD 5.30 (#peak 598) &rst ixpk= 598, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2= 452, 453, &end # # 30 ASP HN 34 ILE QD1 5.44 (#peak 600) &rst ixpk= 600, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 477, 478, 479, &end # # 30 ASP HA 31 MET HN 3.41 (#peak 545) &rst ixpk= 545, nxpk= 0, iat= 403, 413, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 30 ASP HA 32 ASP HN 3.97 (#peak 615) &rst ixpk= 615, nxpk= 0, iat= 403, 430, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 30 ASP HA 33 LYS HN 3.89 (#peak 1936) &rst ixpk= 1936, nxpk= 0, iat= 403, 442, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 30 ASP HA 33 LYS HG2 3.46 (#peak 1201) &rst ixpk= 1201, nxpk= 0, iat= 403, 449, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 30 ASP HB2 31 MET HN 4.79 (#peak 547) &rst ixpk= 547, nxpk= 0, iat= 405, 413, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 30 ASP HB2 33 LYS HN 5.59 (#peak 4355) &rst ixpk= 4355, nxpk= 0, iat= 405, 442, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 30 ASP HB2 34 ILE HN 4.94 (#peak 2933) &rst ixpk= 2933, nxpk= 0, iat= 405, 464, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 30 ASP HB2 34 ILE HG12 4.43 (#peak 1219) &rst ixpk= 1219, nxpk= 0, iat= 405, 474, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 30 ASP HB2 34 ILE QD1 5.21 (#peak 2935) &rst ixpk= 2935, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 477, 478, 479, &end # # 30 ASP HB3 31 MET QE 5.68 (#peak 4389) &rst ixpk= 4389, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2= 424, 425, 426, &end # # 30 ASP HB3 33 LYS QD 4.67 (#peak 4335) &rst ixpk= 4335, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 452, 453, &end # # 30 ASP HB3 54 ASN HB3 5.51 (#peak 3159) &rst ixpk= 3159, nxpk= 0, iat= 406, 752, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 30 ASP HB3 54 ASN HD21 5.90 (#peak 3327) &rst ixpk= 3327, nxpk= 0, iat= 406, 756, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 30 ASP HB3 54 ASN HD22 5.00 (#peak 754) &rst ixpk= 754, nxpk= 0, iat= 406, 757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 31 MET HN 31 MET HB2 4.12 (#peak 372) &rst ixpk= 372, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 31 MET HN 31 MET HB3 3.97 (#peak 415) &rst ixpk= 415, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 31 MET HN 31 MET HG2 3.61 (#peak 3432) &rst ixpk= 3432, nxpk= 0, iat= 413, 420, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 31 MET HN 31 MET HG3 4.06 (#peak 3385) &rst ixpk= 3385, nxpk= 0, iat= 413, 421, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 31 MET HN 31 MET QE 3.90 (#peak 549) &rst ixpk= 549, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 424, 425, 426, &end # # 31 MET HN 32 ASP HN 3.80 (#peak 690) &rst ixpk= 690, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 31 MET HN 34 ILE QD1 5.60 (#peak 515) &rst ixpk= 515, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 477, 478, 479, &end # # 31 MET HA 31 MET HG2 3.99 (#peak 618) &rst ixpk= 618, nxpk= 0, iat= 415, 420, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 31 MET HA 31 MET HG3 3.89 (#peak 613) &rst ixpk= 613, nxpk= 0, iat= 415, 421, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 31 MET HA 31 MET QE 3.08 (#peak 4184) &rst ixpk= 4184, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 424, 425, 426, &end # # 31 MET HA 33 LYS HN 5.04 (#peak 518) &rst ixpk= 518, nxpk= 0, iat= 415, 442, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 31 MET HA 34 ILE HN 4.45 (#peak 484) &rst ixpk= 484, nxpk= 0, iat= 415, 464, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 31 MET HA 34 ILE HB 3.92 (#peak 4737) &rst ixpk= 4737, nxpk= 0, iat= 415, 468, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 31 MET HA 34 ILE QD1 3.33 (#peak 4795) &rst ixpk= 4795, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 477, 478, 479, &end # # 31 MET HA 34 ILE QG2 4.05 (#peak 4060) &rst ixpk= 4060, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 470, 471, 472, &end # # 31 MET HA 35 ALA QB 5.31 (#peak 515) &rst ixpk= 515, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 487, 488, 489, &end # # 31 MET HB2 32 ASP HN 4.98 (#peak 431) &rst ixpk= 431, nxpk= 0, iat= 417, 430, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 31 MET HB2 35 ALA QB 5.08 (#peak 3802) &rst ixpk= 3802, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr2= 487, 488, 489, &end # # 31 MET HB3 31 MET QE 3.08 (#peak 4187) &rst ixpk= 4187, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 424, 425, 426, &end # # 31 MET HG2 167 THR HA 5.90 (#peak 4833) &rst ixpk= 4833, nxpk= 0, iat= 420,2455, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 31 MET HG2 32 ASP HN 4.72 (#peak 616) &rst ixpk= 616, nxpk= 0, iat= 420, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 31 MET HG3 32 ASP HN 5.33 (#peak 611) &rst ixpk= 611, nxpk= 0, iat= 421, 430, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 31 MET QE 165 LYS QG 2.88 (#peak 4190) &rst ixpk= 4190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 424, 425, 426, igr2=2424,2425, &end # # 31 MET QE 166 ASN HN 5.52 (#peak 883) &rst ixpk= 883, nxpk= 0, iat= -1,2439, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 424, 425, 426, &end # # 31 MET QE 32 ASP HN 4.95 (#peak 4176) &rst ixpk= 4176, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 424, 425, 426, &end # # 31 MET QE 34 ILE HN 4.84 (#peak 4192) &rst ixpk= 4192, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 424, 425, 426, &end # # 31 MET QE 34 ILE QD1 2.50 (#peak 4191) &rst ixpk= 4191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1= 424, 425, 426, igr2= 477, 478, 479, &end # # 32 ASP HN 32 ASP HB2 3.46 (#peak 617) &rst ixpk= 617, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 32 ASP HN 32 ASP HB3 3.60 (#peak 618) &rst ixpk= 618, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 32 ASP HN 33 LYS HN 3.64 (#peak 613) &rst ixpk= 613, nxpk= 0, iat= 430, 442, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 32 ASP HN 34 ILE HN 5.31 (#peak 614) &rst ixpk= 614, nxpk= 0, iat= 430, 464, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 32 ASP HA 35 ALA HN 4.57 (#peak 659) &rst ixpk= 659, nxpk= 0, iat= 432, 483, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 32 ASP HA 35 ALA QB 3.22 (#peak 3798) &rst ixpk= 3798, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2= 487, 488, 489, &end # # 32 ASP HA 36 ASN HN 5.32 (#peak 2213) &rst ixpk= 2213, nxpk= 0, iat= 432, 493, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 32 ASP HB2 33 LYS HN 3.66 (#peak 928) &rst ixpk= 928, nxpk= 0, iat= 434, 442, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 32 ASP HB2 33 LYS HG2 4.34 (#peak 4268) &rst ixpk= 4268, nxpk= 0, iat= 434, 449, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 32 ASP HB3 33 LYS HN 3.92 (#peak 747) &rst ixpk= 747, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 32 ASP HB3 33 LYS HA 5.90 (#peak 2518) &rst ixpk= 2518, nxpk= 0, iat= 435, 444, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 32 ASP HB3 36 ASN HD22 5.28 (#peak 4244) &rst ixpk= 4244, nxpk= 0, iat= 435, 503, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 33 LYS HN 33 LYS HB2 3.62 (#peak 295) &rst ixpk= 295, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 33 LYS HN 33 LYS HB3 3.40 (#peak 748) &rst ixpk= 748, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 33 LYS HN 33 LYS HG2 4.08 (#peak 749) &rst ixpk= 749, nxpk= 0, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 33 LYS HN 33 LYS HG3 4.35 (#peak 776) &rst ixpk= 776, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 33 LYS HN 33 LYS QD 3.68 (#peak 3697) &rst ixpk= 3697, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 452, 453, &end # # 33 LYS HN 33 LYS QE 4.55 (#peak 774) &rst ixpk= 774, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2= 455, 456, &end # # 33 LYS HN 34 ILE HN 3.97 (#peak 743) &rst ixpk= 743, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 33 LYS HN 34 ILE HB 5.06 (#peak 775) &rst ixpk= 775, nxpk= 0, iat= 442, 468, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 33 LYS HN 54 ASN HD21 5.90 (#peak 773) &rst ixpk= 773, nxpk= 0, iat= 442, 756, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 33 LYS HA 33 LYS HG2 3.76 (#peak 5305) &rst ixpk= 5305, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 33 LYS HA 33 LYS HG3 4.21 (#peak 5306) &rst ixpk= 5306, nxpk= 0, iat= 444, 450, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 33 LYS HA 33 LYS QD 4.41 (#peak 1112) &rst ixpk= 1112, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 452, 453, &end # # 33 LYS HA 33 LYS QE 5.90 (#peak 933) &rst ixpk= 933, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2= 455, 456, &end # # 33 LYS HA 36 ASN HN 3.99 (#peak 1158) &rst ixpk= 1158, nxpk= 0, iat= 444, 493, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 33 LYS HA 36 ASN HB2 3.71 (#peak 4604) &rst ixpk= 4604, nxpk= 0, iat= 444, 497, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 33 LYS HA 36 ASN HB3 4.41 (#peak 3051) &rst ixpk= 3051, nxpk= 0, iat= 444, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 33 LYS HA 36 ASN HD21 5.47 (#peak 1300) &rst ixpk= 1300, nxpk= 0, iat= 444, 502, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 33 LYS HA 36 ASN HD22 5.63 (#peak 1302) &rst ixpk= 1302, nxpk= 0, iat= 444, 503, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end # # 33 LYS HB2 33 LYS QE 4.34 (#peak 344) &rst ixpk= 344, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 455, 456, &end # # 33 LYS HB2 34 ILE HN 4.89 (#peak 1268) &rst ixpk= 1268, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 33 LYS HB2 34 ILE HA 5.42 (#peak 851) &rst ixpk= 851, nxpk= 0, iat= 446, 466, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 33 LYS HB3 33 LYS QD 3.16 (#peak 1137) &rst ixpk= 1137, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 452, 453, &end # # 33 LYS HB3 33 LYS QE 4.11 (#peak 330) &rst ixpk= 330, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 455, 456, &end # # 33 LYS HB3 34 ILE HN 4.36 (#peak 326) &rst ixpk= 326, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 33 LYS HG2 33 LYS QD 2.59 (#peak 3814) &rst ixpk= 3814, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, igr2= 452, 453, &end # # 33 LYS HG2 34 ILE HB 5.37 (#peak 4685) &rst ixpk= 4685, nxpk= 0, iat= 449, 468, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 33 LYS HG2 34 ILE HG13 4.64 (#peak 2218) &rst ixpk= 2218, nxpk= 0, iat= 449, 475, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 33 LYS HG2 37 GLU HG2 5.77 (#peak 3807) &rst ixpk= 3807, nxpk= 0, iat= 449, 514, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 33 LYS HG3 33 LYS QE 3.60 (#peak 2206) &rst ixpk= 2206, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 455, 456, &end # # 33 LYS HG3 34 ILE HN 4.67 (#peak 3929) &rst ixpk= 3929, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 33 LYS HG3 37 GLU HG2 5.22 (#peak 4953) &rst ixpk= 4953, nxpk= 0, iat= 450, 514, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 33 LYS HG3 54 ASN HD21 4.80 (#peak 3924) &rst ixpk= 3924, nxpk= 0, iat= 450, 756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 33 LYS QD 33 LYS QE 2.67 (#peak 1138) &rst ixpk= 1138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 452, 453, igr2= 455, 456, &end # # 33 LYS QD 54 ASN HB2 5.06 (#peak 4916) &rst ixpk= 4916, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 452, 453, &end # # 33 LYS QE 54 ASN HD21 4.58 (#peak 1559) &rst ixpk= 1559, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 455, 456, &end # # 34 ILE HN 34 ILE HB 3.65 (#peak 4736) &rst ixpk= 4736, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 34 ILE HN 34 ILE HG12 4.60 (#peak 1038) &rst ixpk= 1038, nxpk= 0, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 34 ILE HN 34 ILE HG13 4.93 (#peak 1059) &rst ixpk= 1059, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 34 ILE HN 34 ILE QD1 4.39 (#peak 4794) &rst ixpk= 4794, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 477, 478, 479, &end # # 34 ILE HN 34 ILE QG2 4.30 (#peak 4059) &rst ixpk= 4059, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 470, 471, 472, &end # # 34 ILE HN 35 ALA HN 4.04 (#peak 638) &rst ixpk= 638, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 34 ILE HN 37 GLU HG2 4.86 (#peak 4988) &rst ixpk= 4988, nxpk= 0, iat= 464, 514, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 34 ILE HN 52 PRO HG3 4.71 (#peak 3551) &rst ixpk= 3551, nxpk= 0, iat= 464, 728, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 34 ILE HA 34 ILE HG12 4.12 (#peak 1079) &rst ixpk= 1079, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 34 ILE HA 34 ILE HG13 3.37 (#peak 4254) &rst ixpk= 4254, nxpk= 0, iat= 466, 475, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 34 ILE HA 34 ILE QD1 3.83 (#peak 4790) &rst ixpk= 4790, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 477, 478, 479, &end # # 34 ILE HA 34 ILE QG2 3.18 (#peak 4034) &rst ixpk= 4034, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 470, 471, 472, &end # # 34 ILE HA 36 ASN HN 5.90 (#peak 1159) &rst ixpk= 1159, nxpk= 0, iat= 466, 493, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 34 ILE HA 37 GLU HN 3.80 (#peak 688) &rst ixpk= 688, nxpk= 0, iat= 466, 507, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 34 ILE HA 37 GLU HG2 3.41 (#peak 3240) &rst ixpk= 3240, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 34 ILE HA 37 GLU QB 4.32 (#peak 1075) &rst ixpk= 1075, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 511, 512, &end # # 34 ILE HA 52 PRO HD2 5.46 (#peak 907) &rst ixpk= 907, nxpk= 0, iat= 466, 724, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 34 ILE HA 52 PRO HG2 4.85 (#peak 2762) &rst ixpk= 2762, nxpk= 0, iat= 466, 727, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 34 ILE HB 34 ILE QD1 2.98 (#peak 4797) &rst ixpk= 4797, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 477, 478, 479, &end # # 34 ILE HB 35 ALA HN 3.71 (#peak 4735) &rst ixpk= 4735, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 34 ILE HB 35 ALA HA 4.89 (#peak 2526) &rst ixpk= 2526, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 34 ILE HB 38 LEU QD1 5.10 (#peak 4740) &rst ixpk= 4740, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 531, 532, 533, &end # # 34 ILE HG12 55 ALA QB 4.15 (#peak 1372) &rst ixpk= 1372, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 765, 766, 767, &end # # 34 ILE HG13 52 PRO HB3 5.22 (#peak 568) &rst ixpk= 568, nxpk= 0, iat= 475, 731, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 34 ILE HG13 55 ALA QB 4.08 (#peak 1058) &rst ixpk= 1058, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2= 765, 766, 767, &end # # 34 ILE QD1 52 PRO HB2 4.93 (#peak 4796) &rst ixpk= 4796, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 477, 478, 479, &end # # 34 ILE QD1 52 PRO HB3 5.39 (#peak 538) &rst ixpk= 538, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 477, 478, 479, &end # # 34 ILE QD1 52 PRO HD2 3.96 (#peak 1978) &rst ixpk= 1978, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 477, 478, 479, &end # # 34 ILE QD1 52 PRO HD3 4.66 (#peak 2692) &rst ixpk= 2692, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 477, 478, 479, &end # # 34 ILE QD1 52 PRO HG3 4.37 (#peak 1400) &rst ixpk= 1400, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 477, 478, 479, &end # # 34 ILE QD1 54 ASN HN 5.31 (#peak 1330) &rst ixpk= 1330, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 477, 478, 479, &end # # 34 ILE QD1 54 ASN HD21 4.47 (#peak 4772) &rst ixpk= 4772, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 477, 478, 479, &end # # 34 ILE QD1 55 ALA HN 3.96 (#peak 649) &rst ixpk= 649, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 477, 478, 479, &end # # 34 ILE QD1 55 ALA HA 3.54 (#peak 1703) &rst ixpk= 1703, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 477, 478, 479, &end # # 34 ILE QD1 55 ALA QB 2.59 (#peak 2646) &rst ixpk= 2646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 477, 478, 479, igr2= 765, 766, 767, &end # # 34 ILE QD1 56 LYS HN 4.17 (#peak 4807) &rst ixpk= 4807, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 477, 478, 479, &end # # 34 ILE QG2 35 ALA HN 3.60 (#peak 4058) &rst ixpk= 4058, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 470, 471, 472, &end # # 34 ILE QG2 35 ALA HA 4.15 (#peak 726) &rst ixpk= 726, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 470, 471, 472, &end # # 34 ILE QG2 35 ALA QB 4.02 (#peak 3768) &rst ixpk= 3768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 470, 471, 472, igr2= 487, 488, 489, &end # # 34 ILE QG2 38 LEU QD1 2.90 (#peak 2044) &rst ixpk= 2044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 470, 471, 472, igr2= 531, 532, 533, &end # # 34 ILE QG2 38 LEU QD2 3.38 (#peak 4575) &rst ixpk= 4575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1= 470, 471, 472, igr2= 535, 536, 537, &end # # 34 ILE QG2 48 VAL QG2 5.76 (#peak 5378) &rst ixpk= 5378, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr1= 470, 471, 472, igr2= 675, 676, 677, &end # # 34 ILE QG2 52 PRO HD2 4.15 (#peak 4035) &rst ixpk= 4035, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 470, 471, 472, &end # # 34 ILE QG2 52 PRO HG2 4.61 (#peak 1398) &rst ixpk= 1398, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 470, 471, 472, &end # # 34 ILE QG2 55 ALA QB 3.76 (#peak 4063) &rst ixpk= 4063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 470, 471, 472, igr2= 765, 766, 767, &end # # 35 ALA HN 35 ALA QB 2.74 (#peak 3764) &rst ixpk= 3764, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 487, 488, 489, &end # # 35 ALA HN 36 ASN HN 3.73 (#peak 631) &rst ixpk= 631, nxpk= 0, iat= 483, 493, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 35 ALA HA 165 LYS QE 4.75 (#peak 2535) &rst ixpk= 2535, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=2430,2431, &end # # 35 ALA HA 38 LEU HB2 3.84 (#peak 3584) &rst ixpk= 3584, nxpk= 0, iat= 485, 526, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 35 ALA HA 38 LEU HG 4.58 (#peak 2527) &rst ixpk= 2527, nxpk= 0, iat= 485, 529, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 35 ALA HA 38 LEU QD1 3.47 (#peak 2040) &rst ixpk= 2040, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2= 531, 532, 533, &end # # 35 ALA HA 38 LEU QD2 4.81 (#peak 751) &rst ixpk= 751, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 535, 536, 537, &end # # 35 ALA HA 39 GLU HG2 5.90 (#peak 1093) &rst ixpk= 1093, nxpk= 0, iat= 485, 548, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 35 ALA HA 39 GLU QB 5.40 (#peak 3381) &rst ixpk= 3381, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 545, 546, &end # # 35 ALA QB 165 LYS QE 4.18 (#peak 3767) &rst ixpk= 3767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 487, 488, 489, igr2=2430,2431, &end # # 35 ALA QB 36 ASN HN 3.18 (#peak 3741) &rst ixpk= 3741, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1= 487, 488, 489, &end # # 35 ALA QB 36 ASN HA 4.16 (#peak 2159) &rst ixpk= 2159, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 487, 488, 489, &end # # 35 ALA QB 36 ASN HD21 4.54 (#peak 3678) &rst ixpk= 3678, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 487, 488, 489, &end # # 35 ALA QB 36 ASN HD22 4.43 (#peak 3784) &rst ixpk= 3784, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 487, 488, 489, &end # # 35 ALA QB 39 GLU QB 5.21 (#peak 3397) &rst ixpk= 3397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 487, 488, 489, igr2= 545, 546, &end # # 36 ASN HN 36 ASN HB2 3.38 (#peak 4576) &rst ixpk= 4576, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 36 ASN HN 36 ASN HB3 3.63 (#peak 4579) &rst ixpk= 4579, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 36 ASN HN 36 ASN HD21 4.91 (#peak 1155) &rst ixpk= 1155, nxpk= 0, iat= 493, 502, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 36 ASN HN 36 ASN HD22 5.07 (#peak 1156) &rst ixpk= 1156, nxpk= 0, iat= 493, 503, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 36 ASN HN 37 GLU HN 3.95 (#peak 1154) &rst ixpk= 1154, nxpk= 0, iat= 493, 507, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 36 ASN HA 36 ASN HB3 2.86 (#peak 2173) &rst ixpk= 2173, nxpk= 0, iat= 495, 498, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 36 ASN HA 36 ASN HD21 4.47 (#peak 2170) &rst ixpk= 2170, nxpk= 0, iat= 495, 502, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 36 ASN HA 36 ASN HD22 5.02 (#peak 2171) &rst ixpk= 2171, nxpk= 0, iat= 495, 503, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 36 ASN HA 37 GLU HA 5.53 (#peak 2480) &rst ixpk= 2480, nxpk= 0, iat= 495, 509, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 36 ASN HA 38 LEU HB2 5.87 (#peak 2180) &rst ixpk= 2180, nxpk= 0, iat= 495, 526, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 36 ASN HA 39 GLU HN 3.77 (#peak 512) &rst ixpk= 512, nxpk= 0, iat= 495, 541, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 36 ASN HA 39 GLU HG2 4.73 (#peak 2175) &rst ixpk= 2175, nxpk= 0, iat= 495, 548, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 36 ASN HA 39 GLU HG3 4.65 (#peak 3328) &rst ixpk= 3328, nxpk= 0, iat= 495, 549, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 36 ASN HA 39 GLU QB 3.68 (#peak 514) &rst ixpk= 514, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 545, 546, &end # # 36 ASN HA 40 THR HN 5.04 (#peak 1372) &rst ixpk= 1372, nxpk= 0, iat= 495, 556, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 36 ASN HA 40 THR QG2 5.16 (#peak 4000) &rst ixpk= 4000, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2= 562, 563, 564, &end # # 36 ASN HB2 36 ASN HD21 3.77 (#peak 3003) &rst ixpk= 3003, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 36 ASN HB2 37 GLU HN 3.67 (#peak 4603) &rst ixpk= 4603, nxpk= 0, iat= 497, 507, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 36 ASN HB2 37 GLU QB 5.23 (#peak 4578) &rst ixpk= 4578, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 511, 512, &end # # 36 ASN HB3 37 GLU HN 3.67 (#peak 4580) &rst ixpk= 4580, nxpk= 0, iat= 498, 507, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 36 ASN HB3 40 THR HN 5.53 (#peak 1398) &rst ixpk= 1398, nxpk= 0, iat= 498, 556, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 36 ASN HD22 39 GLU QB 5.87 (#peak 1119) &rst ixpk= 1119, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2= 545, 546, &end # # 37 GLU HN 37 GLU HB2 3.34 (#peak 683) &rst ixpk= 683, nxpk= 0, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 37 GLU HN 37 GLU HG2 3.86 (#peak 4987) &rst ixpk= 4987, nxpk= 0, iat= 507, 514, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 37 GLU HN 37 GLU HG3 4.45 (#peak 675) &rst ixpk= 675, nxpk= 0, iat= 507, 515, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 37 GLU HN 37 GLU QB 3.51 (#peak 1073) &rst ixpk= 1073, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 511, 512, &end # # 37 GLU HN 38 LEU QD2 5.90 (#peak 686) &rst ixpk= 686, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2= 535, 536, 537, &end # # 37 GLU HA 37 GLU HG2 3.75 (#peak 5005) &rst ixpk= 5005, nxpk= 0, iat= 509, 514, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 37 GLU HA 37 GLU HG3 3.60 (#peak 3371) &rst ixpk= 3371, nxpk= 0, iat= 509, 515, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 37 GLU HA 40 THR HB 4.60 (#peak 5274) &rst ixpk= 5274, nxpk= 0, iat= 509, 560, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 37 GLU HA 40 THR QG2 4.18 (#peak 2716) &rst ixpk= 2716, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 562, 563, 564, &end # # 37 GLU QB 37 GLU HG3 2.82 (#peak 4966) &rst ixpk= 4966, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr1= 511, 512, &end # # 37 GLU QB 38 LEU HN 4.59 (#peak 3467) &rst ixpk= 3467, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 511, 512, &end # # 37 GLU QB 38 LEU HG 3.77 (#peak 1712) &rst ixpk= 1712, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 511, 512, &end # # 37 GLU QB 38 LEU QD1 4.64 (#peak 1034) &rst ixpk= 1034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr1= 511, 512, igr2= 531, 532, 533, &end # # 37 GLU QB 38 LEU QD2 4.22 (#peak 3464) &rst ixpk= 3464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 511, 512, igr2= 535, 536, 537, &end # # 38 LEU HN 38 LEU HB2 3.64 (#peak 4005) &rst ixpk= 4005, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 38 LEU HN 38 LEU HB3 3.72 (#peak 4009) &rst ixpk= 4009, nxpk= 0, iat= 522, 527, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 38 LEU HN 38 LEU HG 3.68 (#peak 1692) &rst ixpk= 1692, nxpk= 0, iat= 522, 529, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 38 LEU HN 38 LEU QD1 3.88 (#peak 4461) &rst ixpk= 4461, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 531, 532, 533, &end # # 38 LEU HN 38 LEU QD2 3.98 (#peak 2485) &rst ixpk= 2485, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 535, 536, 537, &end # # 38 LEU HN 43 TYR QD 5.59 (#peak 575) &rst ixpk= 575, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 599, 608, &end # # 38 LEU HA 38 LEU QD1 4.00 (#peak 2431) &rst ixpk= 2431, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 531, 532, 533, &end # # 38 LEU HA 38 LEU QD2 2.90 (#peak 2486) &rst ixpk= 2486, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 535, 536, 537, &end # # 38 LEU HA 43 TYR HB2 4.59 (#peak 675) &rst ixpk= 675, nxpk= 0, iat= 524, 595, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 38 LEU HA 43 TYR QD 3.79 (#peak 2427) &rst ixpk= 2427, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 599, 608, &end # # 38 LEU HA 43 TYR QE 3.23 (#peak 2428) &rst ixpk= 2428, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 601, 606, &end # # 38 LEU HA 48 VAL QG2 4.92 (#peak 4711) &rst ixpk= 4711, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2= 675, 676, 677, &end # # 38 LEU HB2 38 LEU QD1 3.50 (#peak 3587) &rst ixpk= 3587, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 531, 532, 533, &end # # 38 LEU HB2 38 LEU QD2 4.03 (#peak 4004) &rst ixpk= 4004, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 535, 536, 537, &end # # 38 LEU HB2 43 TYR QD 5.84 (#peak 3582) &rst ixpk= 3582, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2= 599, 608, &end # # 38 LEU HB3 38 LEU QD1 3.60 (#peak 4011) &rst ixpk= 4011, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 531, 532, 533, &end # # 38 LEU HB3 38 LEU QD2 3.99 (#peak 3891) &rst ixpk= 3891, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 535, 536, 537, &end # # 38 LEU HB3 39 GLU HN 4.22 (#peak 821) &rst ixpk= 821, nxpk= 0, iat= 527, 541, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 38 LEU HB3 39 GLU QB 5.71 (#peak 3384) &rst ixpk= 3384, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2= 545, 546, &end # # 38 LEU HB3 43 TYR HB2 5.90 (#peak 896) &rst ixpk= 896, nxpk= 0, iat= 527, 595, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 38 LEU HG 165 LYS QE 4.22 (#peak 1640) &rst ixpk= 1640, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=2430,2431, &end # # 38 LEU HG 48 VAL QG2 5.90 (#peak 3722) &rst ixpk= 3722, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2= 675, 676, 677, &end # # 38 LEU QD1 163 TYR HB3 4.53 (#peak 4334) &rst ixpk= 4334, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 531, 532, 533, &end # # 38 LEU QD1 163 TYR QD 4.49 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 531, 532, 533, igr2=2390,2399, &end # # 38 LEU QD1 165 LYS QE 4.77 (#peak 2913) &rst ixpk= 2913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 531, 532, 533, igr2=2430,2431, &end # # 38 LEU QD1 39 GLU HN 4.73 (#peak 820) &rst ixpk= 820, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 531, 532, 533, &end # # 38 LEU QD1 43 TYR QE 4.42 (#peak 4463) &rst ixpk= 4463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 531, 532, 533, igr2= 601, 606, &end # # 38 LEU QD1 48 VAL QG2 3.90 (#peak 2046) &rst ixpk= 2046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 531, 532, 533, igr2= 675, 676, 677, &end # # 38 LEU QD2 163 TYR HB2 4.85 (#peak 2471) &rst ixpk= 2471, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 535, 536, 537, &end # # 38 LEU QD2 163 TYR HB3 5.29 (#peak 4310) &rst ixpk= 4310, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 535, 536, 537, &end # # 38 LEU QD2 165 LYS QD 5.04 (#peak 1046) &rst ixpk= 1046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 535, 536, 537, igr2=2427,2428, &end # # 38 LEU QD2 40 THR HN 5.83 (#peak 1399) &rst ixpk= 1399, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 535, 536, 537, &end # # 38 LEU QD2 43 TYR HB3 4.85 (#peak 4554) &rst ixpk= 4554, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 535, 536, 537, &end # # 38 LEU QD2 43 TYR QD 4.03 (#peak 4560) &rst ixpk= 4560, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 535, 536, 537, igr2= 599, 608, &end # # 38 LEU QD2 43 TYR QE 4.65 (#peak 2480) &rst ixpk= 2480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 535, 536, 537, igr2= 601, 606, &end # # 38 LEU QD2 48 VAL QG2 3.61 (#peak 2491) &rst ixpk= 2491, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 535, 536, 537, igr2= 675, 676, 677, &end # # 38 LEU QD2 50 VAL HN 5.19 (#peak 4559) &rst ixpk= 4559, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 535, 536, 537, &end # # 38 LEU QD2 52 PRO HD3 4.92 (#peak 2694) &rst ixpk= 2694, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 535, 536, 537, &end # # 39 GLU HN 39 GLU HG2 3.85 (#peak 826) &rst ixpk= 826, nxpk= 0, iat= 541, 548, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 39 GLU HN 39 GLU HG3 3.85 (#peak 5077) &rst ixpk= 5077, nxpk= 0, iat= 541, 549, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 39 GLU HN 39 GLU QB 3.10 (#peak 1000) &rst ixpk= 1000, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 545, 546, &end # # 39 GLU HN 40 THR HN 3.94 (#peak 1369) &rst ixpk= 1369, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 39 GLU HA 39 GLU HG3 4.24 (#peak 15) &rst ixpk= 15, nxpk= 0, iat= 543, 549, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 39 GLU HA 39 GLU QB 2.97 (#peak 3391) &rst ixpk= 3391, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, igr2= 545, 546, &end # # 39 GLU HG2 40 THR HN 4.46 (#peak 1374) &rst ixpk= 1374, nxpk= 0, iat= 548, 556, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 39 GLU HG3 40 THR HA 4.95 (#peak 4345) &rst ixpk= 4345, nxpk= 0, iat= 549, 558, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 39 GLU QB 39 GLU HG2 2.74 (#peak 5047) &rst ixpk= 5047, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, igr1= 545, 546, &end # # 39 GLU QB 39 GLU HG3 2.61 (#peak 1001) &rst ixpk= 1001, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, igr1= 545, 546, &end # # 39 GLU QB 40 THR HN 3.94 (#peak 755) &rst ixpk= 755, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 545, 546, &end # # 39 GLU QB 40 THR HA 5.00 (#peak 4316) &rst ixpk= 4316, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 545, 546, &end # # 40 THR HN 40 THR QG2 3.41 (#peak 756) &rst ixpk= 756, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 562, 563, 564, &end # # 40 THR HN 41 GLY HN 4.30 (#peak 1370) &rst ixpk= 1370, nxpk= 0, iat= 556, 570, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 40 THR HN 41 GLY HA2 5.61 (#peak 1396) &rst ixpk= 1396, nxpk= 0, iat= 556, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 40 THR HN 41 GLY HA3 5.90 (#peak 1397) &rst ixpk= 1397, nxpk= 0, iat= 556, 573, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 40 THR HN 43 TYR QE 5.90 (#peak 1371) &rst ixpk= 1371, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2= 601, 606, &end # # 40 THR HA 40 THR QG2 3.23 (#peak 4346) &rst ixpk= 4346, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 562, 563, 564, &end # # 40 THR HB 41 GLY HN 5.43 (#peak 828) &rst ixpk= 828, nxpk= 0, iat= 560, 570, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 40 THR QG2 41 GLY HN 4.09 (#peak 2757) &rst ixpk= 2757, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 562, 563, 564, &end # # 40 THR QG2 41 GLY HA3 3.84 (#peak 2739) &rst ixpk= 2739, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1= 562, 563, 564, &end # # 40 THR QG2 42 ASN HN 5.90 (#peak 1609) &rst ixpk= 1609, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 562, 563, 564, &end # # 40 THR QG2 43 TYR QE 5.11 (#peak 3987) &rst ixpk= 3987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 562, 563, 564, igr2= 601, 606, &end # # 41 GLY HN 43 TYR QD 5.90 (#peak 1488) &rst ixpk= 1488, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2= 599, 608, &end # # 41 GLY HN 43 TYR QE 5.76 (#peak 1496) &rst ixpk= 1496, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2= 601, 606, &end # # 41 GLY HA2 43 TYR QD 5.21 (#peak 2623) &rst ixpk= 2623, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 599, 608, &end # # 41 GLY HA2 43 TYR QE 4.55 (#peak 2902) &rst ixpk= 2902, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2= 601, 606, &end # # 41 GLY HA3 43 TYR QD 4.60 (#peak 2738) &rst ixpk= 2738, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 599, 608, &end # # 41 GLY HA3 43 TYR QE 4.14 (#peak 2728) &rst ixpk= 2728, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 601, 606, &end # # 42 ASN HN 43 TYR HN 5.24 (#peak 1116) &rst ixpk= 1116, nxpk= 0, iat= 577, 591, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 42 ASN HA 42 ASN HD21 5.03 (#peak 1162) &rst ixpk= 1162, nxpk= 0, iat= 579, 586, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 42 ASN HA 42 ASN HD22 4.86 (#peak 2092) &rst ixpk= 2092, nxpk= 0, iat= 579, 587, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 42 ASN HA 44 ALA HN 3.71 (#peak 532) &rst ixpk= 532, nxpk= 0, iat= 579, 612, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 42 ASN HB2 42 ASN HD21 3.85 (#peak 3028) &rst ixpk= 3028, nxpk= 0, iat= 581, 586, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 42 ASN HB2 45 GLY HN 4.95 (#peak 5464) &rst ixpk= 5464, nxpk= 0, iat= 581, 622, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 42 ASN HB3 42 ASN HD21 4.04 (#peak 982) &rst ixpk= 982, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 42 ASN HB3 42 ASN HD22 4.03 (#peak 3223) &rst ixpk= 3223, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 42 ASN HB3 43 TYR HN 4.58 (#peak 982) &rst ixpk= 982, nxpk= 0, iat= 582, 591, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 42 ASN HB3 45 GLY HN 5.39 (#peak 5465) &rst ixpk= 5465, nxpk= 0, iat= 582, 622, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 43 TYR HN 43 TYR HB2 3.94 (#peak 980) &rst ixpk= 980, nxpk= 0, iat= 591, 595, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 43 TYR HN 43 TYR HB3 3.78 (#peak 981) &rst ixpk= 981, nxpk= 0, iat= 591, 596, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 43 TYR HN 43 TYR QD 3.34 (#peak 649) &rst ixpk= 649, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 599, 608, &end # # 43 TYR HN 43 TYR QE 4.72 (#peak 976) &rst ixpk= 976, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 601, 606, &end # # 43 TYR HN 44 ALA HN 3.49 (#peak 421) &rst ixpk= 421, nxpk= 0, iat= 591, 612, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 43 TYR HA 43 TYR QD 3.29 (#peak 2329) &rst ixpk= 2329, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 599, 608, &end # # 43 TYR HA 43 TYR QE 5.05 (#peak 1307) &rst ixpk= 1307, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 601, 606, &end # # 43 TYR HA 45 GLY HN 4.21 (#peak 5186) &rst ixpk= 5186, nxpk= 0, iat= 593, 622, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 43 TYR HB2 44 ALA HN 5.17 (#peak 4633) &rst ixpk= 4633, nxpk= 0, iat= 595, 612, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 43 TYR HB2 45 GLY HN 5.39 (#peak 4655) &rst ixpk= 4655, nxpk= 0, iat= 595, 622, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 43 TYR HB2 48 VAL QG2 5.80 (#peak 1740) &rst ixpk= 1740, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 675, 676, 677, &end # # 43 TYR HB3 44 ALA HN 5.35 (#peak 493) &rst ixpk= 493, nxpk= 0, iat= 596, 612, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 43 TYR HB3 45 GLY HN 5.13 (#peak 4662) &rst ixpk= 4662, nxpk= 0, iat= 596, 622, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 43 TYR HB3 49 GLY HN 5.90 (#peak 1141) &rst ixpk= 1141, nxpk= 0, iat= 596, 681, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 43 TYR QD 44 ALA HN 5.31 (#peak 492) &rst ixpk= 492, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 599, 608, &end # # 43 TYR QD 45 GLY HN 5.70 (#peak 1578) &rst ixpk= 1578, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 599, 608, &end # # 43 TYR QD 48 VAL HA 4.75 (#peak 2835) &rst ixpk= 2835, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 599, 608, &end # # 43 TYR QD 48 VAL QG1 4.65 (#peak 4602) &rst ixpk= 4602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 599, 608, igr2= 671, 672, 673, &end # # 43 TYR QD 48 VAL QG2 4.87 (#peak 3268) &rst ixpk= 3268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 599, 608, igr2= 675, 676, 677, &end # # 43 TYR QD 49 GLY HN 5.90 (#peak 1140) &rst ixpk= 1140, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 599, 608, &end # # 43 TYR QE 48 VAL HA 4.35 (#peak 2836) &rst ixpk= 2836, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 601, 606, &end # # 43 TYR QE 48 VAL QG1 4.89 (#peak 4603) &rst ixpk= 4603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 601, 606, igr2= 671, 672, 673, &end # # 43 TYR QE 49 GLY HN 4.39 (#peak 1305) &rst ixpk= 1305, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 601, 606, &end # # 43 TYR QE 50 VAL HN 5.47 (#peak 709) &rst ixpk= 709, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 601, 606, &end # # 44 ALA HN 44 ALA QB 3.39 (#peak 3942) &rst ixpk= 3942, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 616, 617, 618, &end # # 44 ALA HN 45 GLY HN 5.34 (#peak 1577) &rst ixpk= 1577, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 44 ALA QB 155 ASN HD21 4.12 (#peak 977) &rst ixpk= 977, nxpk= 0, iat= -1,2278, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 616, 617, 618, &end # # 44 ALA QB 155 ASN HD22 5.04 (#peak 1248) &rst ixpk= 1248, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 616, 617, 618, &end # # 44 ALA QB 45 GLY HN 4.32 (#peak 686) &rst ixpk= 686, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 616, 617, 618, &end # # 44 ALA QB 46 ASN HD22 5.90 (#peak 1592) &rst ixpk= 1592, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 616, 617, 618, &end # # 45 GLY HA2 157 VAL QG1 4.29 (#peak 2818) &rst ixpk= 2818, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=2301,2302,2303, &end # # 45 GLY HA2 157 VAL QG2 3.73 (#peak 2822) &rst ixpk= 2822, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=2305,2306,2307, &end # # 45 GLY HA2 161 HIS HN 5.85 (#peak 2817) &rst ixpk= 2817, nxpk= 0, iat= 624,2349, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end # # 45 GLY HA3 155 ASN HD22 4.81 (#peak 2595) &rst ixpk= 2595, nxpk= 0, iat= 625,2279, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 45 GLY HA3 157 VAL QG2 3.65 (#peak 2829) &rst ixpk= 2829, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=2305,2306,2307, &end # # 45 GLY HA3 161 HIS HN 5.57 (#peak 93) &rst ixpk= 93, nxpk= 0, iat= 625,2349, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 46 ASN HN 46 ASN HB2 4.04 (#peak 2961) &rst ixpk= 2961, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 46 ASN HN 46 ASN HD21 4.61 (#peak 996) &rst ixpk= 996, nxpk= 0, iat= 629, 638, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 46 ASN HN 47 LYS HN 5.51 (#peak 651) &rst ixpk= 651, nxpk= 0, iat= 629, 643, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 46 ASN HA 157 VAL QG2 4.48 (#peak 5462) &rst ixpk= 5462, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=2305,2306,2307, &end # # 46 ASN HA 158 VAL HN 5.90 (#peak 1626) &rst ixpk= 1626, nxpk= 0, iat= 631,2311, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 46 ASN HA 46 ASN HD21 4.69 (#peak 1197) &rst ixpk= 1197, nxpk= 0, iat= 631, 638, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 46 ASN HA 46 ASN HD22 5.39 (#peak 1234) &rst ixpk= 1234, nxpk= 0, iat= 631, 639, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 46 ASN HA 47 LYS HN 3.41 (#peak 1209) &rst ixpk= 1209, nxpk= 0, iat= 631, 643, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 46 ASN HB2 47 LYS HN 4.41 (#peak 4358) &rst ixpk= 4358, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 46 ASN HB3 46 ASN HD21 3.77 (#peak 4365) &rst ixpk= 4365, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 46 ASN HB3 46 ASN HD22 4.07 (#peak 4385) &rst ixpk= 4385, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 46 ASN HB3 47 LYS HN 4.34 (#peak 4362) &rst ixpk= 4362, nxpk= 0, iat= 634, 643, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 46 ASN HD22 157 VAL QG1 5.64 (#peak 1258) &rst ixpk= 1258, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2=2301,2302,2303, &end # # 46 ASN HD22 157 VAL QG2 5.90 (#peak 1593) &rst ixpk= 1593, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2305,2306,2307, &end # # 47 LYS HN 47 LYS HB2 3.83 (#peak 656) &rst ixpk= 656, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 47 LYS HN 47 LYS HB3 3.99 (#peak 658) &rst ixpk= 658, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 47 LYS HN 47 LYS HG3 4.74 (#peak 657) &rst ixpk= 657, nxpk= 0, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 47 LYS HN 47 LYS QD 4.62 (#peak 1089) &rst ixpk= 1089, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 653, 654, &end # # 47 LYS HN 48 VAL HN 5.14 (#peak 674) &rst ixpk= 674, nxpk= 0, iat= 643, 665, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 47 LYS HA 161 HIS HA 5.90 (#peak 812) &rst ixpk= 812, nxpk= 0, iat= 645,2351, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 47 LYS HA 161 HIS HB2 2.96 (#peak 3071) &rst ixpk= 3071, nxpk= 0, iat= 645,2353, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 47 LYS HA 161 HIS HB3 5.05 (#peak 819) &rst ixpk= 819, nxpk= 0, iat= 645,2354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 47 LYS HA 161 HIS HD2 4.17 (#peak 2707) &rst ixpk= 2707, nxpk= 0, iat= 645,2362, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 47 LYS HA 163 TYR QE 4.66 (#peak 244) &rst ixpk= 244, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=2392,2397, &end # # 47 LYS HA 47 LYS HB2 3.01 (#peak 3948) &rst ixpk= 3948, nxpk= 0, iat= 645, 647, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 47 LYS HA 47 LYS HG3 3.80 (#peak 4229) &rst ixpk= 4229, nxpk= 0, iat= 645, 651, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 47 LYS HA 47 LYS QE 5.46 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 656, 657, &end # # 47 LYS HA 48 VAL HN 3.51 (#peak 243) &rst ixpk= 243, nxpk= 0, iat= 645, 665, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 47 LYS HA 48 VAL HA 5.55 (#peak 824) &rst ixpk= 824, nxpk= 0, iat= 645, 667, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 47 LYS HA 48 VAL HB 5.12 (#peak 745) &rst ixpk= 745, nxpk= 0, iat= 645, 669, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 47 LYS HA 48 VAL QG2 4.60 (#peak 248) &rst ixpk= 248, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 675, 676, 677, &end # # 47 LYS HB2 161 HIS HD2 4.69 (#peak 3961) &rst ixpk= 3961, nxpk= 0, iat= 647,2362, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 47 LYS HB2 47 LYS QE 4.38 (#peak 283) &rst ixpk= 283, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2= 656, 657, &end # # 47 LYS HB3 161 HIS HB2 4.49 (#peak 994) &rst ixpk= 994, nxpk= 0, iat= 648,2353, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 47 LYS HB3 161 HIS HD2 4.33 (#peak 4451) &rst ixpk= 4451, nxpk= 0, iat= 648,2362, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 47 LYS HB3 163 TYR QE 5.26 (#peak 4465) &rst ixpk= 4465, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=2392,2397, &end # # 47 LYS HB3 47 LYS QE 4.44 (#peak 3065) &rst ixpk= 3065, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 656, 657, &end # # 47 LYS HB3 48 VAL HN 4.43 (#peak 111) &rst ixpk= 111, nxpk= 0, iat= 648, 665, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 47 LYS HG2 47 LYS QE 3.32 (#peak 3822) &rst ixpk= 3822, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 656, 657, &end # # 47 LYS HG2 48 VAL HN 4.83 (#peak 4430) &rst ixpk= 4430, nxpk= 0, iat= 650, 665, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 47 LYS HG3 47 LYS QE 3.79 (#peak 3821) &rst ixpk= 3821, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 656, 657, &end # # 47 LYS HG3 48 VAL HN 4.78 (#peak 110) &rst ixpk= 110, nxpk= 0, iat= 651, 665, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 47 LYS QD 163 TYR QE 5.90 (#peak 1357) &rst ixpk= 1357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1= 653, 654, igr2=2392,2397, &end # # 47 LYS QD 47 LYS QE 2.77 (#peak 3820) &rst ixpk= 3820, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 653, 654, igr2= 656, 657, &end # # 47 LYS QE 161 HIS HE1 4.97 (#peak 987) &rst ixpk= 987, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 656, 657, &end # # 47 LYS QE 48 VAL HN 5.80 (#peak 108) &rst ixpk= 108, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 656, 657, &end # # 47 LYS QE 48 VAL QG1 5.90 (#peak 4592) &rst ixpk= 4592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1= 656, 657, igr2= 671, 672, 673, &end # # 47 LYS QE 48 VAL QG2 5.90 (#peak 986) &rst ixpk= 986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1= 656, 657, igr2= 675, 676, 677, &end # # 48 VAL HN 161 HIS HD2 5.90 (#peak 104) &rst ixpk= 104, nxpk= 0, iat= 665,2362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 48 VAL HN 163 TYR QD 5.69 (#peak 113) &rst ixpk= 113, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=2390,2399, &end # # 48 VAL HN 163 TYR QE 4.92 (#peak 888) &rst ixpk= 888, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=2392,2397, &end # # 48 VAL HN 48 VAL HB 3.79 (#peak 3960) &rst ixpk= 3960, nxpk= 0, iat= 665, 669, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 48 VAL HN 48 VAL QG1 3.96 (#peak 3023) &rst ixpk= 3023, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 671, 672, 673, &end # # 48 VAL HN 48 VAL QG2 3.79 (#peak 3325) &rst ixpk= 3325, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 675, 676, 677, &end # # 48 VAL HN 49 GLY HN 5.90 (#peak 1162) &rst ixpk= 1162, nxpk= 0, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 48 VAL HA 163 TYR QD 5.19 (#peak 195) &rst ixpk= 195, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2=2390,2399, &end # # 48 VAL HA 48 VAL QG1 3.36 (#peak 3025) &rst ixpk= 3025, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 671, 672, 673, &end # # 48 VAL HA 48 VAL QG2 3.90 (#peak 4706) &rst ixpk= 4706, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 675, 676, 677, &end # # 48 VAL HA 49 GLY HA2 4.83 (#peak 881) &rst ixpk= 881, nxpk= 0, iat= 667, 683, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 48 VAL HA 50 VAL HN 4.91 (#peak 2834) &rst ixpk= 2834, nxpk= 0, iat= 667, 688, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 48 VAL HB 163 TYR QD 5.08 (#peak 203) &rst ixpk= 203, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=2390,2399, &end # # 48 VAL HB 163 TYR QE 5.30 (#peak 3953) &rst ixpk= 3953, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2=2392,2397, &end # # 48 VAL HB 49 GLY HN 5.46 (#peak 1167) &rst ixpk= 1167, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 48 VAL HB 50 VAL HN 5.56 (#peak 717) &rst ixpk= 717, nxpk= 0, iat= 669, 688, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 48 VAL HB 51 LEU QD2 4.21 (#peak 717) &rst ixpk= 717, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 717, 718, 719, &end # # 48 VAL QG1 163 TYR QD 4.74 (#peak 1312) &rst ixpk= 1312, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 671, 672, 673, igr2=2390,2399, &end # # 48 VAL QG1 163 TYR QE 5.14 (#peak 4595) &rst ixpk= 4595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 671, 672, 673, igr2=2392,2397, &end # # 48 VAL QG1 49 GLY HN 3.97 (#peak 3022) &rst ixpk= 3022, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 671, 672, 673, &end # # 48 VAL QG1 50 VAL HN 3.50 (#peak 720) &rst ixpk= 720, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 671, 672, 673, &end # # 48 VAL QG1 50 VAL QQG 4.44 (#peak 1685) &rst ixpk= 1685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 671, 672, 673, igr2= 694, 695, 696, 698, 699, 700, &end # # 48 VAL QG1 51 LEU HN 4.57 (#peak 3027) &rst ixpk= 3027, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 671, 672, 673, &end # # 48 VAL QG1 51 LEU HA 3.32 (#peak 3056) &rst ixpk= 3056, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 671, 672, 673, &end # # 48 VAL QG1 51 LEU HG 4.18 (#peak 4596) &rst ixpk= 4596, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 671, 672, 673, &end # # 48 VAL QG1 51 LEU QD1 4.97 (#peak 4597) &rst ixpk= 4597, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1= 671, 672, 673, igr2= 713, 714, 715, &end # # 48 VAL QG1 51 LEU QD2 3.02 (#peak 2506) &rst ixpk= 2506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 671, 672, 673, igr2= 717, 718, 719, &end # # 48 VAL QG1 52 PRO HD2 4.94 (#peak 4606) &rst ixpk= 4606, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 671, 672, 673, &end # # 48 VAL QG1 52 PRO HD3 4.40 (#peak 2695) &rst ixpk= 2695, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 671, 672, 673, &end # # 48 VAL QG2 163 TYR HB2 5.84 (#peak 3060) &rst ixpk= 3060, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 675, 676, 677, &end # # 48 VAL QG2 163 TYR QD 4.00 (#peak 4710) &rst ixpk= 4710, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 675, 676, 677, igr2=2390,2399, &end # # 48 VAL QG2 163 TYR QE 4.04 (#peak 3287) &rst ixpk= 3287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 675, 676, 677, igr2=2392,2397, &end # # 48 VAL QG2 49 GLY HN 5.17 (#peak 1604) &rst ixpk= 1604, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1= 675, 676, 677, &end # # 48 VAL QG2 50 VAL HN 5.60 (#peak 4702) &rst ixpk= 4702, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 675, 676, 677, &end # # 48 VAL QG2 51 LEU HA 5.12 (#peak 1093) &rst ixpk= 1093, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 675, 676, 677, &end # # 48 VAL QG2 51 LEU QD2 4.47 (#peak 4706) &rst ixpk= 4706, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1= 675, 676, 677, igr2= 717, 718, 719, &end # # 49 GLY HN 50 VAL HN 3.84 (#peak 711) &rst ixpk= 711, nxpk= 0, iat= 681, 688, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 49 GLY HN 50 VAL QQG 5.21 (#peak 1169) &rst ixpk= 1169, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr2= 694, 695, 696, 698, 699, 700, &end # # 49 GLY HA2 50 VAL QQG 4.48 (#peak 5453) &rst ixpk= 5453, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2= 694, 695, 696, 698, 699, 700, &end # # 49 GLY HA3 50 VAL QQG 4.21 (#peak 2577) &rst ixpk= 2577, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 694, 695, 696, 698, 699, 700, &end # # 49 GLY QA 50 VAL HN 3.29 (#peak 713) &rst ixpk= 713, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1= 683, 684, &end # # 50 VAL HN 50 VAL HB 3.43 (#peak 961) &rst ixpk= 961, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 50 VAL HN 50 VAL QQG 3.06 (#peak 718) &rst ixpk= 718, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 694, 695, 696, 698, 699, 700, &end # # 50 VAL HN 51 LEU HN 4.36 (#peak 710) &rst ixpk= 710, nxpk= 0, iat= 688, 704, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 50 VAL HN 51 LEU QD2 4.89 (#peak 719) &rst ixpk= 719, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 717, 718, 719, &end # # 50 VAL HA 50 VAL QQG 2.62 (#peak 2498) &rst ixpk= 2498, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 694, 695, 696, 698, 699, 700, &end # # 50 VAL HA 51 LEU HN 2.86 (#peak 4859) &rst ixpk= 4859, nxpk= 0, iat= 690, 704, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 50 VAL HA 51 LEU HG 4.41 (#peak 4870) &rst ixpk= 4870, nxpk= 0, iat= 690, 711, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 50 VAL HA 51 LEU QD2 5.20 (#peak 4872) &rst ixpk= 4872, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 717, 718, 719, &end # # 50 VAL HB 51 LEU HN 4.33 (#peak 97) &rst ixpk= 97, nxpk= 0, iat= 692, 704, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 50 VAL QQG 51 LEU HN 3.19 (#peak 100) &rst ixpk= 100, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 694, 695, 696, 698, 699, 700, &end # # 50 VAL QQG 51 LEU HA 4.09 (#peak 1169) &rst ixpk= 1169, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 694, 695, 696, 698, 699, 700, &end # # 51 LEU HN 51 LEU HB2 3.66 (#peak 4122) &rst ixpk= 4122, nxpk= 0, iat= 704, 708, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 51 LEU HN 51 LEU HB3 3.85 (#peak 99) &rst ixpk= 99, nxpk= 0, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 51 LEU HN 51 LEU HG 3.20 (#peak 98) &rst ixpk= 98, nxpk= 0, iat= 704, 711, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 51 LEU HN 51 LEU QD1 3.94 (#peak 2002) &rst ixpk= 2002, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 713, 714, 715, &end # # 51 LEU HN 51 LEU QD2 3.70 (#peak 2498) &rst ixpk= 2498, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 717, 718, 719, &end # # 51 LEU HN 52 PRO HD2 4.99 (#peak 96) &rst ixpk= 96, nxpk= 0, iat= 704, 724, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 51 LEU HN 52 PRO HD3 5.27 (#peak 2006) &rst ixpk= 2006, nxpk= 0, iat= 704, 725, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 51 LEU HA 51 LEU HG 3.72 (#peak 1678) &rst ixpk= 1678, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 51 LEU HA 51 LEU QD2 2.81 (#peak 2500) &rst ixpk= 2500, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 717, 718, 719, &end # # 51 LEU HA 52 PRO HD2 3.31 (#peak 1972) &rst ixpk= 1972, nxpk= 0, iat= 706, 724, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 51 LEU HA 52 PRO HD3 3.14 (#peak 2696) &rst ixpk= 2696, nxpk= 0, iat= 706, 725, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 51 LEU HA 55 ALA QB 3.82 (#peak 2683) &rst ixpk= 2683, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 765, 766, 767, &end # # 51 LEU HB2 51 LEU QD1 3.27 (#peak 4127) &rst ixpk= 4127, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 713, 714, 715, &end # # 51 LEU HB2 51 LEU QD2 3.77 (#peak 4128) &rst ixpk= 4128, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 717, 718, 719, &end # # 51 LEU HB2 52 PRO HD2 4.25 (#peak 4124) &rst ixpk= 4124, nxpk= 0, iat= 708, 724, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 51 LEU HB2 52 PRO HD3 5.13 (#peak 4123) &rst ixpk= 4123, nxpk= 0, iat= 708, 725, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 51 LEU HB3 51 LEU QD1 3.51 (#peak 4134) &rst ixpk= 4134, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 713, 714, 715, &end # # 51 LEU HB3 51 LEU QD2 3.89 (#peak 4135) &rst ixpk= 4135, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 717, 718, 719, &end # # 51 LEU HB3 52 PRO HD2 4.04 (#peak 4132) &rst ixpk= 4132, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 51 LEU HB3 52 PRO HD3 4.27 (#peak 4129) &rst ixpk= 4129, nxpk= 0, iat= 709, 725, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 51 LEU HG 52 PRO HD3 5.20 (#peak 1641) &rst ixpk= 1641, nxpk= 0, iat= 711, 725, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 51 LEU QD1 56 LYS HA 4.72 (#peak 819) &rst ixpk= 819, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 713, 714, 715, &end # # 51 LEU QD1 57 GLU HG2 3.56 (#peak 2004) &rst ixpk= 2004, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1= 713, 714, 715, &end # # 51 LEU QD2 163 TYR QE 4.23 (#peak 4419) &rst ixpk= 4419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 717, 718, 719, igr2=2392,2397, &end # # 51 LEU QD2 52 PRO HD2 4.38 (#peak 4420) &rst ixpk= 4420, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 717, 718, 719, &end # # 51 LEU QD2 52 PRO HD3 3.34 (#peak 2501) &rst ixpk= 2501, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1= 717, 718, 719, &end # # 51 LEU QD2 57 GLU HG2 4.62 (#peak 2507) &rst ixpk= 2507, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 717, 718, 719, &end # # 52 PRO HA 53 ALA HN 3.24 (#peak 4564) &rst ixpk= 4564, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 52 PRO HA 53 ALA QB 4.27 (#peak 4538) &rst ixpk= 4538, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 741, 742, 743, &end # # 52 PRO HA 55 ALA HN 4.94 (#peak 629) &rst ixpk= 629, nxpk= 0, iat= 733, 761, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 52 PRO HA 55 ALA QB 5.75 (#peak 1367) &rst ixpk= 1367, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2= 765, 766, 767, &end # # 52 PRO HB2 53 ALA HN 4.28 (#peak 240) &rst ixpk= 240, nxpk= 0, iat= 730, 737, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 52 PRO HB2 54 ASN HN 4.55 (#peak 1327) &rst ixpk= 1327, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 52 PRO HB2 55 ALA HN 5.18 (#peak 646) &rst ixpk= 646, nxpk= 0, iat= 730, 761, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 52 PRO HB2 55 ALA QB 4.15 (#peak 556) &rst ixpk= 556, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 765, 766, 767, &end # # 52 PRO HB3 54 ASN HN 4.50 (#peak 1328) &rst ixpk= 1328, nxpk= 0, iat= 731, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 52 PRO HB3 55 ALA HN 4.77 (#peak 647) &rst ixpk= 647, nxpk= 0, iat= 731, 761, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 52 PRO HB3 55 ALA QB 4.27 (#peak 537) &rst ixpk= 537, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 765, 766, 767, &end # # 52 PRO HD2 55 ALA QB 3.41 (#peak 2685) &rst ixpk= 2685, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 765, 766, 767, &end # # 52 PRO HD3 55 ALA QB 3.29 (#peak 3963) &rst ixpk= 3963, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 765, 766, 767, &end # # 52 PRO HG3 55 ALA QB 5.13 (#peak 1366) &rst ixpk= 1366, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 765, 766, 767, &end # # 53 ALA HN 53 ALA QB 2.87 (#peak 3746) &rst ixpk= 3746, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2= 741, 742, 743, &end # # 53 ALA HN 54 ASN HN 4.42 (#peak 1320) &rst ixpk= 1320, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 53 ALA HN 55 ALA HN 5.61 (#peak 346) &rst ixpk= 346, nxpk= 0, iat= 737, 761, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 53 ALA HA 54 ASN HN 3.56 (#peak 1324) &rst ixpk= 1324, nxpk= 0, iat= 739, 747, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 53 ALA HA 54 ASN HA 4.81 (#peak 2040) &rst ixpk= 2040, nxpk= 0, iat= 739, 749, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 53 ALA HA 55 ALA HN 4.06 (#peak 630) &rst ixpk= 630, nxpk= 0, iat= 739, 761, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 53 ALA QB 54 ASN HN 3.58 (#peak 3688) &rst ixpk= 3688, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 741, 742, 743, &end # # 53 ALA QB 55 ALA HN 4.63 (#peak 3710) &rst ixpk= 3710, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 741, 742, 743, &end # # 54 ASN HN 54 ASN HB2 3.91 (#peak 1325) &rst ixpk= 1325, nxpk= 0, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 54 ASN HN 54 ASN HB3 3.99 (#peak 1326) &rst ixpk= 1326, nxpk= 0, iat= 747, 752, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 54 ASN HN 54 ASN HD21 5.90 (#peak 1354) &rst ixpk= 1354, nxpk= 0, iat= 747, 756, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 54 ASN HN 55 ALA HN 3.45 (#peak 628) &rst ixpk= 628, nxpk= 0, iat= 747, 761, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 54 ASN HN 55 ALA HA 5.90 (#peak 1322) &rst ixpk= 1322, nxpk= 0, iat= 747, 763, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 54 ASN HN 55 ALA QB 4.75 (#peak 2714) &rst ixpk= 2714, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 765, 766, 767, &end # # 54 ASN HB2 55 ALA HN 4.34 (#peak 644) &rst ixpk= 644, nxpk= 0, iat= 751, 761, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 54 ASN HB3 55 ALA HN 4.80 (#peak 645) &rst ixpk= 645, nxpk= 0, iat= 752, 761, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 55 ALA HN 55 ALA QB 2.93 (#peak 2643) &rst ixpk= 2643, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 765, 766, 767, &end # # 55 ALA HN 56 LYS HN 4.84 (#peak 640) &rst ixpk= 640, nxpk= 0, iat= 761, 771, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 55 ALA HA 56 LYS HN 3.22 (#peak 1699) &rst ixpk= 1699, nxpk= 0, iat= 763, 771, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 55 ALA QB 56 LYS HN 3.37 (#peak 2681) &rst ixpk= 2681, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1= 765, 766, 767, &end # # 55 ALA QB 57 GLU HG2 5.33 (#peak 5103) &rst ixpk= 5103, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 765, 766, 767, &end # # 56 LYS HN 56 LYS QD 4.83 (#peak 670) &rst ixpk= 670, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2= 781, 782, &end # # 56 LYS HA 56 LYS HG2 3.81 (#peak 2298) &rst ixpk= 2298, nxpk= 0, iat= 773, 778, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 56 LYS HA 57 GLU HN 2.89 (#peak 817) &rst ixpk= 817, nxpk= 0, iat= 773, 793, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 56 LYS HA 57 GLU HG3 5.03 (#peak 5137) &rst ixpk= 5137, nxpk= 0, iat= 773, 801, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 56 LYS HB2 57 GLU HN 3.95 (#peak 157) &rst ixpk= 157, nxpk= 0, iat= 775, 793, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 56 LYS HB3 57 GLU HN 4.75 (#peak 229) &rst ixpk= 229, nxpk= 0, iat= 776, 793, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 56 LYS HG2 56 LYS QD 2.99 (#peak 2283) &rst ixpk= 2283, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 781, 782, &end # # 56 LYS HG2 56 LYS QE 3.63 (#peak 2299) &rst ixpk= 2299, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 784, 785, &end # # 56 LYS HG2 57 GLU HN 4.52 (#peak 231) &rst ixpk= 231, nxpk= 0, iat= 778, 793, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 56 LYS HG2 57 GLU HA 5.05 (#peak 1358) &rst ixpk= 1358, nxpk= 0, iat= 778, 795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 56 LYS HG2 57 GLU HG3 5.56 (#peak 3940) &rst ixpk= 3940, nxpk= 0, iat= 778, 801, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 56 LYS HG2 58 ILE QD1 5.40 (#peak 2280) &rst ixpk= 2280, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 821, 822, 823, &end # # 56 LYS HG2 58 ILE QG2 4.58 (#peak 2279) &rst ixpk= 2279, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 814, 815, 816, &end # # 56 LYS HG3 56 LYS QD 2.96 (#peak 2301) &rst ixpk= 2301, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2= 781, 782, &end # # 56 LYS HG3 56 LYS QE 3.71 (#peak 2300) &rst ixpk= 2300, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 784, 785, &end # # 56 LYS HG3 57 GLU HA 5.90 (#peak 1377) &rst ixpk= 1377, nxpk= 0, iat= 779, 795, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 56 LYS HG3 58 ILE QD1 5.29 (#peak 4024) &rst ixpk= 4024, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 821, 822, 823, &end # # 56 LYS HG3 58 ILE QG2 4.22 (#peak 2303) &rst ixpk= 2303, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 814, 815, 816, &end # # 56 LYS QD 56 LYS QE 2.51 (#peak 3907) &rst ixpk= 3907, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, igr1= 781, 782, igr2= 784, 785, &end # # 56 LYS QD 57 GLU HN 5.11 (#peak 1146) &rst ixpk= 1146, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 781, 782, &end # # 56 LYS QD 58 ILE QG2 4.23 (#peak 1050) &rst ixpk= 1050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 781, 782, igr2= 814, 815, 816, &end # # 56 LYS QE 140 LEU QD2 3.55 (#peak 2362) &rst ixpk= 2362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 784, 785, igr2=2049,2050,2051, &end # # 56 LYS QE 57 GLU HN 5.74 (#peak 153) &rst ixpk= 153, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 784, 785, &end # # 56 LYS QE 57 GLU HA 5.87 (#peak 463) &rst ixpk= 463, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 784, 785, &end # # 56 LYS QE 58 ILE QD1 5.80 (#peak 4697) &rst ixpk= 4697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1= 784, 785, igr2= 821, 822, 823, &end # # 56 LYS QE 58 ILE QG2 3.78 (#peak 5492) &rst ixpk= 5492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 784, 785, igr2= 814, 815, 816, &end # # 57 GLU HN 57 GLU HB2 3.68 (#peak 3503) &rst ixpk= 3503, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 57 GLU HN 57 GLU HB3 3.93 (#peak 1106) &rst ixpk= 1106, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 57 GLU HN 57 GLU HG2 4.53 (#peak 154) &rst ixpk= 154, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 57 GLU HN 57 GLU HG3 4.79 (#peak 5076) &rst ixpk= 5076, nxpk= 0, iat= 793, 801, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 57 GLU HN 58 ILE HN 5.33 (#peak 150) &rst ixpk= 150, nxpk= 0, iat= 793, 808, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 57 GLU HN 58 ILE QG2 5.24 (#peak 246) &rst ixpk= 246, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2= 814, 815, 816, &end # # 57 GLU HA 57 GLU HG3 3.95 (#peak 5136) &rst ixpk= 5136, nxpk= 0, iat= 795, 801, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 57 GLU HA 58 ILE HN 3.55 (#peak 541) &rst ixpk= 541, nxpk= 0, iat= 795, 808, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 57 GLU HA 58 ILE HA 4.66 (#peak 476) &rst ixpk= 476, nxpk= 0, iat= 795, 810, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 57 GLU HA 58 ILE QG2 5.05 (#peak 448) &rst ixpk= 448, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 814, 815, 816, &end # # 58 ILE HN 58 ILE QD1 4.28 (#peak 5175) &rst ixpk= 5175, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 821, 822, 823, &end # # 58 ILE HN 58 ILE QG1 4.70 (#peak 2062) &rst ixpk= 2062, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 818, 819, &end # # 58 ILE HN 58 ILE QG2 3.95 (#peak 3853) &rst ixpk= 3853, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 814, 815, 816, &end # # 58 ILE HA 58 ILE QD1 4.36 (#peak 5176) &rst ixpk= 5176, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 821, 822, 823, &end # # 58 ILE HA 58 ILE QG2 3.35 (#peak 3856) &rst ixpk= 3856, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 814, 815, 816, &end # # 58 ILE HA 59 ALA HN 3.12 (#peak 5271) &rst ixpk= 5271, nxpk= 0, iat= 810, 827, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 58 ILE HB 132 TYR HB3 5.90 (#peak 2844) &rst ixpk= 2844, nxpk= 0, iat= 812,1939, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 58 ILE HB 132 TYR QD 4.66 (#peak 3750) &rst ixpk= 3750, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1942,1951, &end # # 58 ILE HB 132 TYR QE 4.84 (#peak 3751) &rst ixpk= 3751, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1944,1949, &end # # 58 ILE HB 58 ILE QD1 3.62 (#peak 5148) &rst ixpk= 5148, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2= 821, 822, 823, &end # # 58 ILE HB 59 ALA HN 4.23 (#peak 4341) &rst ixpk= 4341, nxpk= 0, iat= 812, 827, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 58 ILE QD1 132 TYR QD 4.77 (#peak 4691) &rst ixpk= 4691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 821, 822, 823, igr2=1942,1951, &end # # 58 ILE QD1 132 TYR QE 5.07 (#peak 4696) &rst ixpk= 4696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 821, 822, 823, igr2=1944,1949, &end # # 58 ILE QD1 140 LEU QD1 3.02 (#peak 2036) &rst ixpk= 2036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 821, 822, 823, igr2=2045,2046,2047, &end # # 58 ILE QD1 140 LEU QD2 3.56 (#peak 2419) &rst ixpk= 2419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 821, 822, 823, igr2=2049,2050,2051, &end # # 58 ILE QD1 59 ALA HN 5.13 (#peak 5149) &rst ixpk= 5149, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 821, 822, 823, &end # # 58 ILE QG2 132 TYR QD 4.08 (#peak 4489) &rst ixpk= 4489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 814, 815, 816, igr2=1942,1951, &end # # 58 ILE QG2 132 TYR QE 4.01 (#peak 3808) &rst ixpk= 3808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 814, 815, 816, igr2=1944,1949, &end # # 58 ILE QG2 140 LEU HA 5.03 (#peak 3811) &rst ixpk= 3811, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 814, 815, 816, &end # # 58 ILE QG2 140 LEU HG 4.21 (#peak 1798) &rst ixpk= 1798, nxpk= 0, iat= -1,2043, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 814, 815, 816, &end # # 58 ILE QG2 140 LEU QD1 2.67 (#peak 2066) &rst ixpk= 2066, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1= 814, 815, 816, igr2=2045,2046,2047, &end # # 58 ILE QG2 140 LEU QD2 3.31 (#peak 2395) &rst ixpk= 2395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 814, 815, 816, igr2=2049,2050,2051, &end # # 58 ILE QG2 58 ILE QD1 3.26 (#peak 3809) &rst ixpk= 3809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 814, 815, 816, igr2= 821, 822, 823, &end # # 58 ILE QG2 59 ALA HN 3.96 (#peak 3855) &rst ixpk= 3855, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 814, 815, 816, &end # # 58 ILE QG2 59 ALA QB 5.39 (#peak 3125) &rst ixpk= 3125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27, igr1= 814, 815, 816, igr2= 831, 832, 833, &end # # 59 ALA HN 59 ALA QB 2.90 (#peak 3146) &rst ixpk= 3146, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 831, 832, 833, &end # # 59 ALA HN 60 GLY HN 5.90 (#peak 1537) &rst ixpk= 1537, nxpk= 0, iat= 827, 837, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 59 ALA HA 104 THR HB 3.58 (#peak 1837) &rst ixpk= 1837, nxpk= 0, iat= 829,1509, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 59 ALA HA 104 THR QG2 4.42 (#peak 1722) &rst ixpk= 1722, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1511,1512,1513, &end # # 59 ALA HA 60 GLY HN 3.42 (#peak 1721) &rst ixpk= 1721, nxpk= 0, iat= 829, 837, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 59 ALA HA 61 VAL HN 5.07 (#peak 1705) &rst ixpk= 1705, nxpk= 0, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 59 ALA QB 104 THR HG1 3.88 (#peak 4869) &rst ixpk= 4869, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 831, 832, 833, &end # # 59 ALA QB 105 GLU HN 4.70 (#peak 3126) &rst ixpk= 3126, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 831, 832, 833, &end # # 59 ALA QB 105 GLU HA 3.49 (#peak 3148) &rst ixpk= 3148, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1= 831, 832, 833, &end # # 59 ALA QB 105 GLU HB2 5.12 (#peak 3215) &rst ixpk= 3215, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 831, 832, 833, &end # # 59 ALA QB 105 GLU HG3 4.80 (#peak 4926) &rst ixpk= 4926, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 831, 832, 833, &end # # 59 ALA QB 106 ALA HN 4.34 (#peak 4027) &rst ixpk= 4027, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 831, 832, 833, &end # # 59 ALA QB 106 ALA HA 3.32 (#peak 3150) &rst ixpk= 3150, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 831, 832, 833, &end # # 59 ALA QB 107 GLU HN 4.88 (#peak 1415) &rst ixpk= 1415, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 831, 832, 833, &end # # 59 ALA QB 108 GLY HN 5.25 (#peak 4012) &rst ixpk= 4012, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 831, 832, 833, &end # # 59 ALA QB 60 GLY HN 3.31 (#peak 3145) &rst ixpk= 3145, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 831, 832, 833, &end # # 59 ALA QB 60 GLY HA2 4.10 (#peak 2781) &rst ixpk= 2781, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 831, 832, 833, &end # # 59 ALA QB 60 GLY HA3 4.52 (#peak 2713) &rst ixpk= 2713, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 831, 832, 833, &end # # 60 GLY HN 103 LEU QQD 4.87 (#peak 1545) &rst ixpk= 1545, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=1499,1500,1501,1495,1496,1497, &end # # 60 GLY HN 104 THR HN 4.93 (#peak 1362) &rst ixpk= 1362, nxpk= 0, iat= 837,1505, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 60 GLY HN 104 THR HB 5.12 (#peak 1539) &rst ixpk= 1539, nxpk= 0, iat= 837,1509, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 60 GLY HN 104 THR HG1 3.77 (#peak 4865) &rst ixpk= 4865, nxpk= 0, iat= 837,1515, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 60 GLY HN 104 THR QG2 4.78 (#peak 1543) &rst ixpk= 1543, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1511,1512,1513, &end # # 60 GLY HN 105 GLU HA 5.13 (#peak 2045) &rst ixpk= 2045, nxpk= 0, iat= 837,1521, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 60 GLY HN 61 VAL HN 4.05 (#peak 163) &rst ixpk= 163, nxpk= 0, iat= 837, 844, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 60 GLY HN 61 VAL HB 5.45 (#peak 1546) &rst ixpk= 1546, nxpk= 0, iat= 837, 848, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 60 GLY HN 61 VAL QG1 4.56 (#peak 2537) &rst ixpk= 2537, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 850, 851, 852, &end # # 60 GLY HA2 103 LEU HB2 4.94 (#peak 2675) &rst ixpk= 2675, nxpk= 0, iat= 839,1490, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 60 GLY HA2 103 LEU QQD 4.12 (#peak 2752) &rst ixpk= 2752, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2=1499,1500,1501,1495,1496,1497, &end # # 60 GLY HA2 132 TYR HB3 4.80 (#peak 2710) &rst ixpk= 2710, nxpk= 0, iat= 839,1939, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 60 GLY HA3 103 LEU QQD 4.19 (#peak 2753) &rst ixpk= 2753, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1499,1500,1501,1495,1496,1497, &end # # 60 GLY HA3 104 THR HN 5.60 (#peak 1368) &rst ixpk= 1368, nxpk= 0, iat= 840,1505, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 60 GLY HA3 132 TYR QD 5.20 (#peak 2680) &rst ixpk= 2680, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1942,1951, &end # # 61 VAL HN 103 LEU HA 4.92 (#peak 533) &rst ixpk= 533, nxpk= 0, iat= 844,1488, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 61 VAL HN 103 LEU HB3 4.37 (#peak 536) &rst ixpk= 536, nxpk= 0, iat= 844,1491, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 61 VAL HN 103 LEU QQD 4.39 (#peak 2312) &rst ixpk= 2312, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=1499,1500,1501,1495,1496,1497, &end # # 61 VAL HN 104 THR HN 4.12 (#peak 484) &rst ixpk= 484, nxpk= 0, iat= 844,1505, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 61 VAL HN 104 THR HA 5.57 (#peak 534) &rst ixpk= 534, nxpk= 0, iat= 844,1507, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 61 VAL HN 104 THR HB 5.13 (#peak 2776) &rst ixpk= 2776, nxpk= 0, iat= 844,1509, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 61 VAL HN 104 THR HG1 4.03 (#peak 4864) &rst ixpk= 4864, nxpk= 0, iat= 844,1515, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 61 VAL HN 104 THR QG2 4.42 (#peak 543) &rst ixpk= 543, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1511,1512,1513, &end # # 61 VAL HN 61 VAL HB 3.98 (#peak 472) &rst ixpk= 472, nxpk= 0, iat= 844, 848, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 61 VAL HN 61 VAL QG1 3.35 (#peak 2539) &rst ixpk= 2539, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 850, 851, 852, &end # # 61 VAL HN 61 VAL QG2 3.89 (#peak 2665) &rst ixpk= 2665, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 854, 855, 856, &end # # 61 VAL HN 62 MET HN 5.90 (#peak 541) &rst ixpk= 541, nxpk= 0, iat= 844, 860, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 61 VAL HN 62 MET HA 5.90 (#peak 498) &rst ixpk= 498, nxpk= 0, iat= 844, 862, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 61 VAL HN 63 PHE QE 5.52 (#peak 487) &rst ixpk= 487, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2= 887, 891, &end # # 61 VAL HA 104 THR HN 5.90 (#peak 2403) &rst ixpk= 2403, nxpk= 0, iat= 846,1505, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 61 VAL HA 127 HIS HA 5.02 (#peak 5448) &rst ixpk= 5448, nxpk= 0, iat= 846,1864, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 61 VAL HA 61 VAL QG1 3.72 (#peak 2400) &rst ixpk= 2400, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 850, 851, 852, &end # # 61 VAL HA 61 VAL QG2 3.25 (#peak 2668) &rst ixpk= 2668, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2= 854, 855, 856, &end # # 61 VAL HB 104 THR HN 5.55 (#peak 1364) &rst ixpk= 1364, nxpk= 0, iat= 848,1505, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 61 VAL HB 104 THR HG1 5.53 (#peak 4867) &rst ixpk= 4867, nxpk= 0, iat= 848,1515, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 61 VAL HB 63 PHE QD 5.22 (#peak 1223) &rst ixpk= 1223, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2= 885, 893, &end # # 61 VAL HB 63 PHE QE 5.08 (#peak 1139) &rst ixpk= 1139, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 887, 891, &end # # 61 VAL QG1 104 THR HN 5.29 (#peak 4434) &rst ixpk= 4434, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 850, 851, 852, &end # # 61 VAL QG1 104 THR HG1 5.08 (#peak 4870) &rst ixpk= 4870, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 850, 851, 852, &end # # 61 VAL QG1 62 MET HN 4.41 (#peak 2538) &rst ixpk= 2538, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 850, 851, 852, &end # # 61 VAL QG1 63 PHE QD 4.80 (#peak 2540) &rst ixpk= 2540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 850, 851, 852, igr2= 885, 893, &end # # 61 VAL QG1 63 PHE QE 4.31 (#peak 1143) &rst ixpk= 1143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 850, 851, 852, igr2= 887, 891, &end # # 61 VAL QG2 104 THR HN 5.72 (#peak 39) &rst ixpk= 39, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 854, 855, 856, &end # # 61 VAL QG2 104 THR HG1 5.70 (#peak 4871) &rst ixpk= 4871, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 854, 855, 856, &end # # 61 VAL QG2 104 THR QG2 4.87 (#peak 2057) &rst ixpk= 2057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 854, 855, 856, igr2=1511,1512,1513, &end # # 61 VAL QG2 125 GLU HG3 4.21 (#peak 5255) &rst ixpk= 5255, nxpk= 0, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 854, 855, 856, &end # # 61 VAL QG2 127 HIS HD2 5.90 (#peak 1819) &rst ixpk= 1819, nxpk= 0, iat= -1,1875, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 854, 855, 856, &end # # 61 VAL QG2 127 HIS QB 5.90 (#peak 5449) &rst ixpk= 5449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1= 854, 855, 856, igr2=1866,1867, &end # # 61 VAL QG2 62 MET HN 3.54 (#peak 2664) &rst ixpk= 2664, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 854, 855, 856, &end # # 61 VAL QG2 62 MET HA 4.16 (#peak 1642) &rst ixpk= 1642, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 854, 855, 856, &end # # 61 VAL QG2 63 PHE HN 5.90 (#peak 166) &rst ixpk= 166, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 854, 855, 856, &end # # 61 VAL QG2 63 PHE HA 5.90 (#peak 1617) &rst ixpk= 1617, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 854, 855, 856, &end # # 61 VAL QG2 63 PHE QB 4.81 (#peak 1631) &rst ixpk= 1631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 854, 855, 856, igr2= 881, 882, &end # # 61 VAL QG2 63 PHE QE 3.80 (#peak 2666) &rst ixpk= 2666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 854, 855, 856, igr2= 887, 891, &end # # 62 MET HN 103 LEU HB3 5.90 (#peak 16) &rst ixpk= 16, nxpk= 0, iat= 860,1491, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 62 MET HN 103 LEU HG 4.92 (#peak 1952) &rst ixpk= 1952, nxpk= 0, iat= 860,1493, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 62 MET HN 103 LEU QQD 4.63 (#peak 4250) &rst ixpk= 4250, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2=1499,1500,1501,1495,1496,1497, &end # # 62 MET HN 104 THR HN 5.50 (#peak 26) &rst ixpk= 26, nxpk= 0, iat= 860,1505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 MET HN 62 MET HG2 4.77 (#peak 578) &rst ixpk= 578, nxpk= 0, iat= 860, 867, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 62 MET HA 102 LYS HN 5.79 (#peak 406) &rst ixpk= 406, nxpk= 0, iat= 862,1464, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 62 MET HA 103 LEU HA 3.76 (#peak 1065) &rst ixpk= 1065, nxpk= 0, iat= 862,1488, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 62 MET HA 103 LEU HB3 5.13 (#peak 699) &rst ixpk= 699, nxpk= 0, iat= 862,1491, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 62 MET HA 103 LEU QQD 3.31 (#peak 1973) &rst ixpk= 1973, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1499,1500,1501,1495,1496,1497, &end # # 62 MET HA 104 THR HN 4.81 (#peak 1391) &rst ixpk= 1391, nxpk= 0, iat= 862,1505, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 62 MET HA 62 MET HG3 4.12 (#peak 631) &rst ixpk= 631, nxpk= 0, iat= 862, 868, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 62 MET HA 63 PHE HN 3.24 (#peak 720) &rst ixpk= 720, nxpk= 0, iat= 862, 877, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 62 MET HA 63 PHE HA 5.79 (#peak 1964) &rst ixpk= 1964, nxpk= 0, iat= 862, 879, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 62 MET HA 63 PHE QB 4.79 (#peak 3562) &rst ixpk= 3562, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 881, 882, &end # # 62 MET HA 63 PHE QD 4.80 (#peak 1959) &rst ixpk= 1959, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 885, 893, &end # # 62 MET HG2 103 LEU QQD 3.39 (#peak 2243) &rst ixpk= 2243, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1499,1500,1501,1495,1496,1497, &end # # 62 MET HG2 126 ILE HN 5.90 (#peak 610) &rst ixpk= 610, nxpk= 0, iat= 867,1843, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 62 MET HG2 126 ILE QG2 4.66 (#peak 3995) &rst ixpk= 3995, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1849,1850,1851, &end # # 62 MET HG2 129 LEU HB2 4.63 (#peak 3239) &rst ixpk= 3239, nxpk= 0, iat= 867,1894, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 62 MET HG2 129 LEU QD2 4.16 (#peak 1871) &rst ixpk= 1871, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1903,1904,1905, &end # # 62 MET HG2 62 MET QE 3.04 (#peak 4088) &rst ixpk= 4088, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 871, 872, 873, &end # # 62 MET HG2 63 PHE HN 4.93 (#peak 3322) &rst ixpk= 3322, nxpk= 0, iat= 867, 877, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 62 MET HG2 64 VAL QG1 4.39 (#peak 3326) &rst ixpk= 3326, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 903, 904, 905, &end # # 62 MET HG3 103 LEU QQD 4.86 (#peak 1149) &rst ixpk= 1149, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2=1499,1500,1501,1495,1496,1497, &end # # 62 MET HG3 129 LEU QD2 4.37 (#peak 621) &rst ixpk= 621, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1903,1904,1905, &end # # 62 MET HG3 63 PHE HA 5.52 (#peak 3462) &rst ixpk= 3462, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 62 MET QB 103 LEU HG 2.73 (#peak 1896) &rst ixpk= 1896, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, igr1= 864, 865, &end # # 62 MET QB 103 LEU QQD 2.50 (#peak 2288) &rst ixpk= 2288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 864, 865, igr2=1499,1500,1501,1495,1496,1497, &end # # 62 MET QB 63 PHE HA 5.60 (#peak 3715) &rst ixpk= 3715, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 864, 865, &end # # 62 MET QE 101 LYS HA 5.16 (#peak 1563) &rst ixpk= 1563, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 871, 872, 873, &end # # 62 MET QE 101 LYS HB3 3.97 (#peak 4137) &rst ixpk= 4137, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 871, 872, 873, &end # # 62 MET QE 101 LYS HG2 5.11 (#peak 2378) &rst ixpk= 2378, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 871, 872, 873, &end # # 62 MET QE 101 LYS HG3 3.78 (#peak 4138) &rst ixpk= 4138, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1= 871, 872, 873, &end # # 62 MET QE 102 LYS HN 5.18 (#peak 409) &rst ixpk= 409, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 871, 872, 873, &end # # 62 MET QE 103 LEU HN 3.90 (#peak 4087) &rst ixpk= 4087, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 871, 872, 873, &end # # 62 MET QE 103 LEU HG 3.49 (#peak 1929) &rst ixpk= 1929, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1= 871, 872, 873, &end # # 62 MET QE 103 LEU QQD 2.40 (#peak 4090) &rst ixpk= 4090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1= 871, 872, 873, igr2=1499,1500,1501,1495,1496,1497, &end # # 62 MET QE 129 LEU HN 4.81 (#peak 4065) &rst ixpk= 4065, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 871, 872, 873, &end # # 62 MET QE 129 LEU HB2 4.30 (#peak 4153) &rst ixpk= 4153, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 871, 872, 873, &end # # 62 MET QE 129 LEU QD1 3.58 (#peak 5475) &rst ixpk= 5475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 871, 872, 873, igr2=1899,1900,1901, &end # # 62 MET QE 129 LEU QD2 3.90 (#peak 1843) &rst ixpk= 1843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 871, 872, 873, igr2=1903,1904,1905, &end # # 62 MET QE 64 VAL QG1 3.73 (#peak 2516) &rst ixpk= 2516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 871, 872, 873, igr2= 903, 904, 905, &end # # 63 PHE HN 101 LYS HA 5.52 (#peak 1549) &rst ixpk= 1549, nxpk= 0, iat= 877,1444, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 63 PHE HN 102 LYS HN 4.40 (#peak 357) &rst ixpk= 357, nxpk= 0, iat= 877,1464, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 63 PHE HN 103 LEU HA 4.14 (#peak 1064) &rst ixpk= 1064, nxpk= 0, iat= 877,1488, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 63 PHE HN 104 THR HN 5.37 (#peak 356) &rst ixpk= 356, nxpk= 0, iat= 877,1505, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 63 PHE HN 123 ILE QG2 5.53 (#peak 128) &rst ixpk= 128, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr2=1794,1795,1796, &end # # 63 PHE HN 63 PHE QB 4.06 (#peak 3614) &rst ixpk= 3614, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 881, 882, &end # # 63 PHE HN 63 PHE QD 4.28 (#peak 120) &rst ixpk= 120, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 885, 893, &end # # 63 PHE HN 63 PHE QE 5.03 (#peak 366) &rst ixpk= 366, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2= 887, 891, &end # # 63 PHE HN 64 VAL HN 5.64 (#peak 102) &rst ixpk= 102, nxpk= 0, iat= 877, 897, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 63 PHE HA 101 LYS HA 5.73 (#peak 1556) &rst ixpk= 1556, nxpk= 0, iat= 879,1444, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 63 PHE HA 102 LYS HN 5.60 (#peak 130) &rst ixpk= 130, nxpk= 0, iat= 879,1464, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 63 PHE HA 123 ILE QG2 4.05 (#peak 3598) &rst ixpk= 3598, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=1794,1795,1796, &end # # 63 PHE HA 124 TYR HN 5.64 (#peak 1604) &rst ixpk= 1604, nxpk= 0, iat= 879,1807, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 63 PHE HA 125 GLU HA 3.97 (#peak 821) &rst ixpk= 821, nxpk= 0, iat= 879,1830, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 63 PHE HA 125 GLU HB2 4.72 (#peak 314) &rst ixpk= 314, nxpk= 0, iat= 879,1832, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 63 PHE HA 125 GLU HG2 5.13 (#peak 3867) &rst ixpk= 3867, nxpk= 0, iat= 879,1835, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 63 PHE HA 126 ILE HN 4.41 (#peak 316) &rst ixpk= 316, nxpk= 0, iat= 879,1843, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 63 PHE HA 126 ILE HB 5.17 (#peak 358) &rst ixpk= 358, nxpk= 0, iat= 879,1847, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 63 PHE HA 126 ILE HG12 5.12 (#peak 336) &rst ixpk= 336, nxpk= 0, iat= 879,1853, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 63 PHE HA 63 PHE QD 3.67 (#peak 1611) &rst ixpk= 1611, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 885, 893, &end # # 63 PHE HA 63 PHE QE 5.58 (#peak 113) &rst ixpk= 113, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 887, 891, &end # # 63 PHE HA 64 VAL HN 3.32 (#peak 311) &rst ixpk= 311, nxpk= 0, iat= 879, 897, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 63 PHE HA 64 VAL HA 4.91 (#peak 1662) &rst ixpk= 1662, nxpk= 0, iat= 879, 899, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 63 PHE HA 64 VAL QG1 4.69 (#peak 1603) &rst ixpk= 1603, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 903, 904, 905, &end # # 63 PHE HA 64 VAL QG2 4.22 (#peak 2880) &rst ixpk= 2880, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 907, 908, 909, &end # # 63 PHE QB 101 LYS HA 5.10 (#peak 1155) &rst ixpk= 1155, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 881, 882, &end # # 63 PHE QB 102 LYS HN 5.09 (#peak 389) &rst ixpk= 389, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 881, 882, &end # # 63 PHE QB 109 ALA QB 5.76 (#peak 3566) &rst ixpk= 3566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1= 881, 882, igr2=1570,1571,1572, &end # # 63 PHE QB 123 ILE QD1 5.24 (#peak 3024) &rst ixpk= 3024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 881, 882, igr2=1801,1802,1803, &end # # 63 PHE QB 123 ILE QG2 3.04 (#peak 3600) &rst ixpk= 3600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 881, 882, igr2=1794,1795,1796, &end # # 63 PHE QB 125 GLU HA 3.45 (#peak 2387) &rst ixpk= 2387, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 881, 882, &end # # 63 PHE QB 125 GLU HB2 4.44 (#peak 962) &rst ixpk= 962, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 881, 882, &end # # 63 PHE QB 125 GLU HG2 5.31 (#peak 5266) &rst ixpk= 5266, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 881, 882, &end # # 63 PHE QB 125 GLU HG3 4.47 (#peak 3806) &rst ixpk= 3806, nxpk= 0, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 881, 882, &end # # 63 PHE QB 126 ILE HN 5.10 (#peak 3025) &rst ixpk= 3025, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 881, 882, &end # # 63 PHE QB 64 VAL HN 4.51 (#peak 808) &rst ixpk= 808, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 881, 882, &end # # 63 PHE QB 64 VAL HA 4.75 (#peak 5155) &rst ixpk= 5155, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 881, 882, &end # # 63 PHE QB 64 VAL QG1 4.43 (#peak 2534) &rst ixpk= 2534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 881, 882, igr2= 903, 904, 905, &end # # 63 PHE QB 64 VAL QG2 4.72 (#peak 2882) &rst ixpk= 2882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 881, 882, igr2= 907, 908, 909, &end # # 63 PHE QB 65 TRP HD1 5.90 (#peak 1504) &rst ixpk= 1504, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 881, 882, &end # # 63 PHE QD 101 LYS HA 4.53 (#peak 1553) &rst ixpk= 1553, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 885, 893, &end # # 63 PHE QD 101 LYS HB2 5.89 (#peak 3290) &rst ixpk= 3290, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 885, 893, &end # # 63 PHE QD 102 LYS HN 4.30 (#peak 129) &rst ixpk= 129, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 885, 893, &end # # 63 PHE QD 104 THR HN 5.25 (#peak 1218) &rst ixpk= 1218, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 885, 893, &end # # 63 PHE QD 104 THR QG2 4.15 (#peak 1241) &rst ixpk= 1241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 885, 893, igr2=1511,1512,1513, &end # # 63 PHE QD 109 ALA QB 4.20 (#peak 1469) &rst ixpk= 1469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 885, 893, igr2=1570,1571,1572, &end # # 63 PHE QD 123 ILE HG13 5.90 (#peak 4835) &rst ixpk= 4835, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 885, 893, &end # # 63 PHE QD 123 ILE QG2 3.51 (#peak 4640) &rst ixpk= 4640, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 885, 893, igr2=1794,1795,1796, &end # # 63 PHE QD 125 GLU HA 4.80 (#peak 820) &rst ixpk= 820, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 885, 893, &end # # 63 PHE QD 64 VAL HN 4.30 (#peak 104) &rst ixpk= 104, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 885, 893, &end # # 63 PHE QD 64 VAL HA 5.02 (#peak 1658) &rst ixpk= 1658, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 885, 893, &end # # 63 PHE QD 65 TRP HD1 4.23 (#peak 1193) &rst ixpk= 1193, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 885, 893, &end # # 63 PHE QD 65 TRP HE1 5.90 (#peak 455) &rst ixpk= 455, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 885, 893, &end # # 63 PHE QE 104 THR HN 5.65 (#peak 42) &rst ixpk= 42, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 887, 891, &end # # 63 PHE QE 104 THR HA 4.70 (#peak 2666) &rst ixpk= 2666, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 887, 891, &end # # 63 PHE QE 104 THR QG2 3.05 (#peak 2051) &rst ixpk= 2051, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 887, 891, igr2=1511,1512,1513, &end # # 63 PHE QE 109 ALA QB 4.56 (#peak 4200) &rst ixpk= 4200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 887, 891, igr2=1570,1571,1572, &end # # 63 PHE QE 123 ILE QG2 5.02 (#peak 1702) &rst ixpk= 1702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1= 887, 891, igr2=1794,1795,1796, &end # # 63 PHE QE 164 PRO HG3 5.39 (#peak 1492) &rst ixpk= 1492, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 887, 891, &end # # 63 PHE QE 65 TRP HD1 5.61 (#peak 1153) &rst ixpk= 1153, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 887, 891, &end # # 64 VAL HN 101 LYS HA 5.73 (#peak 115) &rst ixpk= 115, nxpk= 0, iat= 897,1444, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 64 VAL HN 123 ILE HA 5.08 (#peak 116) &rst ixpk= 116, nxpk= 0, iat= 897,1790, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 64 VAL HN 123 ILE QG2 4.37 (#peak 113) &rst ixpk= 113, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1794,1795,1796, &end # # 64 VAL HN 124 TYR HN 5.33 (#peak 73) &rst ixpk= 73, nxpk= 0, iat= 897,1807, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 64 VAL HN 124 TYR HB3 5.77 (#peak 809) &rst ixpk= 809, nxpk= 0, iat= 897,1812, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 64 VAL HN 124 TYR O 2.4 &rst ixpk= 809, nxpk= 0, iat= 897,1826, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 64 VAL HN 124 TYR QD 5.81 (#peak 1422) &rst ixpk= 1422, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=1815,1824, &end # # 64 VAL HN 125 GLU HA 4.98 (#peak 807) &rst ixpk= 807, nxpk= 0, iat= 897,1830, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 64 VAL HN 126 ILE HN 5.75 (#peak 114) &rst ixpk= 114, nxpk= 0, iat= 897,1843, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 64 VAL HN 64 VAL HB 4.07 (#peak 5117) &rst ixpk= 5117, nxpk= 0, iat= 897, 901, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 64 VAL HN 64 VAL QG1 4.48 (#peak 111) &rst ixpk= 111, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 903, 904, 905, &end # # 64 VAL HN 64 VAL QG2 3.41 (#peak 2877) &rst ixpk= 2877, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 907, 908, 909, &end # # 64 VAL HN 65 TRP HD1 5.33 (#peak 106) &rst ixpk= 106, nxpk= 0, iat= 897, 921, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 64 VAL HA 101 LYS HN 4.95 (#peak 356) &rst ixpk= 356, nxpk= 0, iat= 899,1442, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 64 VAL HA 101 LYS HA 3.65 (#peak 5177) &rst ixpk= 5177, nxpk= 0, iat= 899,1444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 64 VAL HA 101 LYS HB2 4.51 (#peak 5151) &rst ixpk= 5151, nxpk= 0, iat= 899,1446, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 64 VAL HA 101 LYS HB3 4.45 (#peak 3733) &rst ixpk= 3733, nxpk= 0, iat= 899,1447, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 64 VAL HA 101 LYS HD2 4.95 (#peak 1178) &rst ixpk= 1178, nxpk= 0, iat= 899,1452, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 64 VAL HA 102 LYS HN 4.41 (#peak 405) &rst ixpk= 405, nxpk= 0, iat= 899,1464, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 64 VAL HA 126 ILE HG12 5.90 (#peak 3850) &rst ixpk= 3850, nxpk= 0, iat= 899,1853, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 64 VAL HA 64 VAL QG1 3.26 (#peak 2514) &rst ixpk= 2514, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 903, 904, 905, &end # # 64 VAL HA 64 VAL QG2 3.45 (#peak 2881) &rst ixpk= 2881, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 907, 908, 909, &end # # 64 VAL HA 65 TRP HN 3.45 (#peak 5150) &rst ixpk= 5150, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 64 VAL HA 65 TRP HD1 4.28 (#peak 5154) &rst ixpk= 5154, nxpk= 0, iat= 899, 921, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 64 VAL HB 101 LYS HA 4.74 (#peak 3625) &rst ixpk= 3625, nxpk= 0, iat= 901,1444, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 64 VAL HB 124 TYR HN 5.90 (#peak 186) &rst ixpk= 186, nxpk= 0, iat= 901,1807, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 64 VAL HB 84 ILE QD1 4.38 (#peak 4893) &rst ixpk= 4893, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1208,1209,1210, &end # # 64 VAL N 124 TYR O 3.3 &rst ixpk= 4893, nxpk= 0, iat= 896,1826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 64 VAL QG1 101 LYS HA 3.99 (#peak 2513) &rst ixpk= 2513, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 903, 904, 905, &end # # 64 VAL QG1 101 LYS HB2 3.85 (#peak 2515) &rst ixpk= 2515, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 903, 904, 905, &end # # 64 VAL QG1 101 LYS HB3 3.21 (#peak 2531) &rst ixpk= 2531, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1= 903, 904, 905, &end # # 64 VAL QG1 101 LYS QE 4.70 (#peak 2909) &rst ixpk= 2909, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 903, 904, 905, igr2=1455,1456, &end # # 64 VAL QG1 102 LYS HN 4.36 (#peak 2492) &rst ixpk= 2492, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 903, 904, 905, &end # # 64 VAL QG1 124 TYR HN 4.81 (#peak 2475) &rst ixpk= 2475, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 903, 904, 905, &end # # 64 VAL QG1 124 TYR HB3 4.96 (#peak 1452) &rst ixpk= 1452, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 903, 904, 905, &end # # 64 VAL QG1 126 ILE QD1 3.59 (#peak 2518) &rst ixpk= 2518, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 903, 904, 905, igr2=1856,1857,1858, &end # # 64 VAL QG1 126 ILE QG2 4.02 (#peak 3973) &rst ixpk= 3973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 903, 904, 905, igr2=1849,1850,1851, &end # # 64 VAL QG1 65 TRP HN 4.18 (#peak 34) &rst ixpk= 34, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 903, 904, 905, &end # # 64 VAL QG1 84 ILE QD1 4.07 (#peak 2519) &rst ixpk= 2519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 903, 904, 905, igr2=1208,1209,1210, &end # # 64 VAL QG1 84 ILE QG2 5.70 (#peak 4162) &rst ixpk= 4162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72, igr1= 903, 904, 905, igr2=1201,1202,1203, &end # # 64 VAL QG1 99 ALA QB 4.00 (#peak 2532) &rst ixpk= 2532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 903, 904, 905, igr2=1419,1420,1421, &end # # 64 VAL QG2 101 LYS HA 5.09 (#peak 2879) &rst ixpk= 2879, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 907, 908, 909, &end # # 64 VAL QG2 124 TYR HN 4.80 (#peak 190) &rst ixpk= 190, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 907, 908, 909, &end # # 64 VAL QG2 124 TYR HA 4.34 (#peak 46) &rst ixpk= 46, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 907, 908, 909, &end # # 64 VAL QG2 124 TYR HB2 4.27 (#peak 3186) &rst ixpk= 3186, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 907, 908, 909, &end # # 64 VAL QG2 124 TYR HB3 4.08 (#peak 3270) &rst ixpk= 3270, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 907, 908, 909, &end # # 64 VAL QG2 124 TYR QD 4.53 (#peak 2845) &rst ixpk= 2845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 907, 908, 909, igr2=1815,1824, &end # # 64 VAL QG2 126 ILE QD1 3.01 (#peak 2885) &rst ixpk= 2885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 907, 908, 909, igr2=1856,1857,1858, &end # # 64 VAL QG2 65 TRP HN 3.65 (#peak 2878) &rst ixpk= 2878, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 907, 908, 909, &end # # 64 VAL QG2 65 TRP HA 4.74 (#peak 173) &rst ixpk= 173, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 907, 908, 909, &end # # 64 VAL QG2 66 THR HN 5.27 (#peak 4231) &rst ixpk= 4231, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 907, 908, 909, &end # # 64 VAL QG2 84 ILE QD1 2.91 (#peak 2886) &rst ixpk= 2886, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 907, 908, 909, igr2=1208,1209,1210, &end # # 64 VAL QG2 84 ILE QG2 4.64 (#peak 2887) &rst ixpk= 2887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 907, 908, 909, igr2=1201,1202,1203, &end # # 65 TRP HN 100 MET HN 5.34 (#peak 136) &rst ixpk= 136, nxpk= 0, iat= 913,1425, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 65 TRP HN 100 MET HB2 5.04 (#peak 481) &rst ixpk= 481, nxpk= 0, iat= 913,1429, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 65 TRP HN 100 MET HB3 5.25 (#peak 31) &rst ixpk= 31, nxpk= 0, iat= 913,1430, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 65 TRP HN 100 MET HG3 4.70 (#peak 3571) &rst ixpk= 3571, nxpk= 0, iat= 913,1433, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 65 TRP HN 100 MET O 2.4 &rst ixpk= 3571, nxpk= 0, iat= 913,1440, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 65 TRP HN 100 MET QE 5.55 (#peak 5430) &rst ixpk= 5430, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr2=1436,1437,1438, &end # # 65 TRP HN 101 LYS HN 5.90 (#peak 32) &rst ixpk= 32, nxpk= 0, iat= 913,1442, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 65 TRP HN 101 LYS HA 4.48 (#peak 1191) &rst ixpk= 1191, nxpk= 0, iat= 913,1444, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 65 TRP HN 101 LYS HB2 5.70 (#peak 26) &rst ixpk= 26, nxpk= 0, iat= 913,1446, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 65 TRP HN 123 ILE HA 5.80 (#peak 20) &rst ixpk= 20, nxpk= 0, iat= 913,1790, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 65 TRP HN 124 TYR HN 5.90 (#peak 189) &rst ixpk= 189, nxpk= 0, iat= 913,1807, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 65 TRP HN 65 TRP HD1 3.62 (#peak 475) &rst ixpk= 475, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 65 TRP HN 66 THR HN 5.27 (#peak 473) &rst ixpk= 473, nxpk= 0, iat= 913, 937, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 65 TRP HN 99 ALA QB 5.90 (#peak 21) &rst ixpk= 21, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1419,1420,1421, &end # # 65 TRP HA 122 LYS HN 5.33 (#peak 1678) &rst ixpk= 1678, nxpk= 0, iat= 915,1766, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 65 TRP HA 123 ILE HA 3.75 (#peak 5159) &rst ixpk= 5159, nxpk= 0, iat= 915,1790, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 65 TRP HA 123 ILE HG12 5.03 (#peak 4680) &rst ixpk= 4680, nxpk= 0, iat= 915,1798, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 65 TRP HA 123 ILE HG13 4.92 (#peak 234) &rst ixpk= 234, nxpk= 0, iat= 915,1799, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 65 TRP HA 123 ILE QD1 5.31 (#peak 1675) &rst ixpk= 1675, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=1801,1802,1803, &end # # 65 TRP HA 123 ILE QG2 4.03 (#peak 3546) &rst ixpk= 3546, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1794,1795,1796, &end # # 65 TRP HA 124 TYR HN 4.70 (#peak 1677) &rst ixpk= 1677, nxpk= 0, iat= 915,1807, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 65 TRP HA 124 TYR QD 5.07 (#peak 1680) &rst ixpk= 1680, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1815,1824, &end # # 65 TRP HA 150 ILE QG2 5.90 (#peak 389) &rst ixpk= 389, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2189,2190,2191, &end # # 65 TRP HA 65 TRP HD1 3.67 (#peak 1660) &rst ixpk= 1660, nxpk= 0, iat= 915, 921, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 65 TRP HA 65 TRP HE3 4.65 (#peak 1679) &rst ixpk= 1679, nxpk= 0, iat= 915, 932, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 65 TRP HA 66 THR HN 3.30 (#peak 148) &rst ixpk= 148, nxpk= 0, iat= 915, 937, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 65 TRP HA 66 THR QG2 4.94 (#peak 4266) &rst ixpk= 4266, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 943, 944, 945, &end # # 65 TRP HA 73 ILE QD1 5.53 (#peak 4189) &rst ixpk= 4189, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr2=1054,1055,1056, &end # # 65 TRP HB2 100 MET HN 5.81 (#peak 144) &rst ixpk= 144, nxpk= 0, iat= 917,1425, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 65 TRP HB2 100 MET HB2 3.60 (#peak 2898) &rst ixpk= 2898, nxpk= 0, iat= 917,1429, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 65 TRP HB2 100 MET HG2 5.19 (#peak 161) &rst ixpk= 161, nxpk= 0, iat= 917,1432, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 65 TRP HB2 100 MET HG3 3.76 (#peak 3567) &rst ixpk= 3567, nxpk= 0, iat= 917,1433, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 65 TRP HB2 101 LYS HA 5.69 (#peak 1561) &rst ixpk= 1561, nxpk= 0, iat= 917,1444, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 65 TRP HB2 111 PHE QE 5.50 (#peak 35) &rst ixpk= 35, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1608,1612, &end # # 65 TRP HB2 116 LEU QD2 5.56 (#peak 4770) &rst ixpk= 4770, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr2=1683,1684,1685, &end # # 65 TRP HB2 65 TRP HE3 3.88 (#peak 2886) &rst ixpk= 2886, nxpk= 0, iat= 917, 932, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 65 TRP HB2 66 THR HN 4.49 (#peak 1504) &rst ixpk= 1504, nxpk= 0, iat= 917, 937, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 65 TRP HB2 73 ILE QD1 4.74 (#peak 2904) &rst ixpk= 2904, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1054,1055,1056, &end # # 65 TRP HB3 100 MET HN 5.90 (#peak 2972) &rst ixpk= 2972, nxpk= 0, iat= 918,1425, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 65 TRP HB3 100 MET HB2 4.85 (#peak 712) &rst ixpk= 712, nxpk= 0, iat= 918,1429, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 65 TRP HB3 100 MET HB3 3.81 (#peak 883) &rst ixpk= 883, nxpk= 0, iat= 918,1430, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 65 TRP HB3 100 MET HG2 4.80 (#peak 3392) &rst ixpk= 3392, nxpk= 0, iat= 918,1432, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 65 TRP HB3 100 MET HG3 5.26 (#peak 292) &rst ixpk= 292, nxpk= 0, iat= 918,1433, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 65 TRP HB3 116 LEU QD2 5.90 (#peak 4772) &rst ixpk= 4772, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1683,1684,1685, &end # # 65 TRP HB3 65 TRP HE3 4.03 (#peak 2964) &rst ixpk= 2964, nxpk= 0, iat= 918, 932, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 65 TRP HB3 65 TRP HZ3 5.90 (#peak 2978) &rst ixpk= 2978, nxpk= 0, iat= 918, 930, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 65 TRP HB3 66 THR HN 4.70 (#peak 1511) &rst ixpk= 1511, nxpk= 0, iat= 918, 937, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 65 TRP HB3 73 ILE QD1 4.99 (#peak 1466) &rst ixpk= 1466, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1054,1055,1056, &end # # 65 TRP HD1 100 MET HG2 4.59 (#peak 209) &rst ixpk= 209, nxpk= 0, iat= 921,1432, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 65 TRP HD1 100 MET HG3 4.18 (#peak 3554) &rst ixpk= 3554, nxpk= 0, iat= 921,1433, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 65 TRP HD1 100 MET QE 4.68 (#peak 5426) &rst ixpk= 5426, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1436,1437,1438, &end # # 65 TRP HD1 101 LYS HA 4.90 (#peak 1555) &rst ixpk= 1555, nxpk= 0, iat= 921,1444, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 65 TRP HD1 102 LYS HN 5.61 (#peak 1495) &rst ixpk= 1495, nxpk= 0, iat= 921,1464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 65 TRP HD1 111 PHE HZ 5.34 (#peak 1543) &rst ixpk= 1543, nxpk= 0, iat= 921,1610, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 65 TRP HD1 111 PHE QE 4.85 (#peak 922) &rst ixpk= 922, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=1608,1612, &end # # 65 TRP HD1 123 ILE HA 5.31 (#peak 2243) &rst ixpk= 2243, nxpk= 0, iat= 921,1790, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 65 TRP HD1 123 ILE HG12 5.65 (#peak 4687) &rst ixpk= 4687, nxpk= 0, iat= 921,1798, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 65 TRP HD1 123 ILE HG13 5.43 (#peak 4831) &rst ixpk= 4831, nxpk= 0, iat= 921,1799, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 65 TRP HD1 123 ILE QD1 5.01 (#peak 1493) &rst ixpk= 1493, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1801,1802,1803, &end # # 65 TRP HD1 123 ILE QG2 4.02 (#peak 4641) &rst ixpk= 4641, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1794,1795,1796, &end # # 65 TRP HD1 66 THR HN 5.36 (#peak 54) &rst ixpk= 54, nxpk= 0, iat= 921, 937, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 65 TRP HE1 100 MET HG3 5.48 (#peak 737) &rst ixpk= 737, nxpk= 0, iat= 923,1433, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 65 TRP HE1 100 MET QE 4.68 (#peak 5424) &rst ixpk= 5424, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1436,1437,1438, &end # # 65 TRP HE1 111 PHE HB2 5.33 (#peak 736) &rst ixpk= 736, nxpk= 0, iat= 923,1602, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 65 TRP HE1 111 PHE HB3 4.85 (#peak 758) &rst ixpk= 758, nxpk= 0, iat= 923,1603, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 65 TRP HE1 111 PHE QD 5.07 (#peak 756) &rst ixpk= 756, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1606,1614, &end # # 65 TRP HE1 111 PHE QE 4.83 (#peak 755) &rst ixpk= 755, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1608,1612, &end # # 65 TRP HE1 123 ILE QD1 3.86 (#peak 4689) &rst ixpk= 4689, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1801,1802,1803, &end # # 65 TRP HE1 123 ILE QG2 4.22 (#peak 3594) &rst ixpk= 3594, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=1794,1795,1796, &end # # 65 TRP HE1 162 VAL QG1 5.83 (#peak 457) &rst ixpk= 457, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2=2372,2373,2374, &end # # 65 TRP HE1 162 VAL QG2 4.27 (#peak 3161) &rst ixpk= 3161, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=2376,2377,2378, &end # # 65 TRP HE3 100 MET QE 4.95 (#peak 5427) &rst ixpk= 5427, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1436,1437,1438, &end # # 65 TRP HE3 116 LEU QD2 4.24 (#peak 4750) &rst ixpk= 4750, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2=1683,1684,1685, &end # # 65 TRP HE3 123 ILE QD1 5.06 (#peak 181) &rst ixpk= 181, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=1801,1802,1803, &end # # 65 TRP HE3 150 ILE QG2 4.20 (#peak 4514) &rst ixpk= 4514, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=2189,2190,2191, &end # # 65 TRP HE3 66 THR HN 4.75 (#peak 52) &rst ixpk= 52, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 65 TRP HE3 73 ILE QD1 3.81 (#peak 4202) &rst ixpk= 4202, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1054,1055,1056, &end # # 65 TRP HH2 111 PHE HB2 5.84 (#peak 2859) &rst ixpk= 2859, nxpk= 0, iat= 928,1602, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end # # 65 TRP HH2 113 THR QG2 3.47 (#peak 2702) &rst ixpk= 2702, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2=1638,1639,1640, &end # # 65 TRP HH2 116 LEU QD2 4.74 (#peak 4753) &rst ixpk= 4753, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1683,1684,1685, &end # # 65 TRP HH2 121 TYR HB3 5.45 (#peak 3381) &rst ixpk= 3381, nxpk= 0, iat= 928,1750, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 65 TRP HH2 123 ILE QD1 4.50 (#peak 1477) &rst ixpk= 1477, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1801,1802,1803, &end # # 65 TRP HH2 150 ILE HG12 5.39 (#peak 1467) &rst ixpk= 1467, nxpk= 0, iat= 928,2193, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 65 TRP HH2 150 ILE QD1 3.68 (#peak 4426) &rst ixpk= 4426, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=2196,2197,2198, &end # # 65 TRP HH2 150 ILE QG2 3.98 (#peak 4515) &rst ixpk= 4515, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=2189,2190,2191, &end # # 65 TRP HH2 152 LEU QD1 5.39 (#peak 1470) &rst ixpk= 1470, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=2226,2227,2228, &end # # 65 TRP HH2 152 LEU QD2 4.68 (#peak 1612) &rst ixpk= 1612, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=2230,2231,2232, &end # # 65 TRP HH2 160 ALA QB 5.70 (#peak 3849) &rst ixpk= 3849, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=2343,2344,2345, &end # # 65 TRP HZ2 100 MET QE 5.13 (#peak 5425) &rst ixpk= 5425, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1436,1437,1438, &end # # 65 TRP HZ2 111 PHE HB2 4.57 (#peak 2860) &rst ixpk= 2860, nxpk= 0, iat= 926,1602, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 65 TRP HZ2 111 PHE HB3 4.77 (#peak 3378) &rst ixpk= 3378, nxpk= 0, iat= 926,1603, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 65 TRP HZ2 113 THR QG2 3.78 (#peak 1538) &rst ixpk= 1538, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=1638,1639,1640, &end # # 65 TRP HZ2 116 LEU QD2 5.70 (#peak 4754) &rst ixpk= 4754, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1683,1684,1685, &end # # 65 TRP HZ2 123 ILE HG12 5.43 (#peak 4688) &rst ixpk= 4688, nxpk= 0, iat= 926,1798, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 65 TRP HZ2 123 ILE HG13 5.59 (#peak 4836) &rst ixpk= 4836, nxpk= 0, iat= 926,1799, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 65 TRP HZ2 123 ILE QD1 3.65 (#peak 4688) &rst ixpk= 4688, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1801,1802,1803, &end # # 65 TRP HZ2 150 ILE QD1 4.44 (#peak 4479) &rst ixpk= 4479, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=2196,2197,2198, &end # # 65 TRP HZ2 162 VAL QG1 5.56 (#peak 4381) &rst ixpk= 4381, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr2=2372,2373,2374, &end # # 65 TRP HZ2 162 VAL QG2 4.87 (#peak 1621) &rst ixpk= 1621, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=2376,2377,2378, &end # # 65 TRP HZ3 113 THR QG2 4.32 (#peak 4542) &rst ixpk= 4542, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=1638,1639,1640, &end # # 65 TRP HZ3 116 LEU HB3 5.39 (#peak 4126) &rst ixpk= 4126, nxpk= 0, iat= 930,1675, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 65 TRP HZ3 116 LEU QD1 5.06 (#peak 1584) &rst ixpk= 1584, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=1679,1680,1681, &end # # 65 TRP HZ3 116 LEU QD2 3.77 (#peak 4755) &rst ixpk= 4755, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1683,1684,1685, &end # # 65 TRP HZ3 121 TYR HB2 4.35 (#peak 2788) &rst ixpk= 2788, nxpk= 0, iat= 930,1749, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 65 TRP HZ3 121 TYR HB3 4.24 (#peak 3265) &rst ixpk= 3265, nxpk= 0, iat= 930,1750, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 65 TRP HZ3 121 TYR HE1 5.74 (#peak 1400) &rst ixpk= 1400, nxpk= 0, iat= 930,1755, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 65 TRP HZ3 121 TYR HE2 5.53 (#peak 1574) &rst ixpk= 1574, nxpk= 0, iat= 930,1760, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 65 TRP HZ3 121 TYR HH 5.90 (#peak 4860) &rst ixpk= 4860, nxpk= 0, iat= 930,1758, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 65 TRP HZ3 121 TYR QD 3.56 (#peak 1573) &rst ixpk= 1573, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1753,1762, &end # # 65 TRP HZ3 122 LYS HN 5.38 (#peak 1571) &rst ixpk= 1571, nxpk= 0, iat= 930,1766, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 65 TRP HZ3 123 ILE QD1 5.07 (#peak 4782) &rst ixpk= 4782, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1801,1802,1803, &end # # 65 TRP HZ3 150 ILE HG12 5.49 (#peak 3906) &rst ixpk= 3906, nxpk= 0, iat= 930,2193, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 65 TRP HZ3 150 ILE QD1 4.50 (#peak 4427) &rst ixpk= 4427, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2196,2197,2198, &end # # 65 TRP HZ3 150 ILE QG2 3.77 (#peak 4516) &rst ixpk= 4516, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=2189,2190,2191, &end # # 65 TRP HZ3 152 LEU QD2 4.65 (#peak 1580) &rst ixpk= 1580, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=2230,2231,2232, &end # # 65 TRP N 100 MET O 3.3 &rst ixpk= 1580, nxpk= 0, iat= 912,1440, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 66 THR HN 121 TYR HB3 5.64 (#peak 1505) &rst ixpk= 1505, nxpk= 0, iat= 937,1750, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 66 THR HN 122 LYS HN 4.47 (#peak 908) &rst ixpk= 908, nxpk= 0, iat= 937,1766, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 66 THR HN 122 LYS HB2 5.23 (#peak 1501) &rst ixpk= 1501, nxpk= 0, iat= 937,1770, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 66 THR HN 122 LYS HB3 5.40 (#peak 4135) &rst ixpk= 4135, nxpk= 0, iat= 937,1771, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 66 THR HN 122 LYS O 2.4 &rst ixpk= 4135, nxpk= 0, iat= 937,1786, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 66 THR HN 123 ILE HN 5.90 (#peak 1506) &rst ixpk= 1506, nxpk= 0, iat= 937,1788, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 66 THR HN 123 ILE HA 4.47 (#peak 56) &rst ixpk= 56, nxpk= 0, iat= 937,1790, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 66 THR HN 123 ILE HG13 5.56 (#peak 1513) &rst ixpk= 1513, nxpk= 0, iat= 937,1799, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 66 THR HN 123 ILE QG2 5.12 (#peak 62) &rst ixpk= 62, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1794,1795,1796, &end # # 66 THR HN 124 TYR HN 5.32 (#peak 50) &rst ixpk= 50, nxpk= 0, iat= 937,1807, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 66 THR HN 124 TYR QD 4.83 (#peak 53) &rst ixpk= 53, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1815,1824, &end # # 66 THR HN 124 TYR QE 5.31 (#peak 45) &rst ixpk= 45, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1817,1822, &end # # 66 THR HN 66 THR QG2 3.91 (#peak 3069) &rst ixpk= 3069, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 943, 944, 945, &end # # 66 THR HN 67 ASN HN 5.50 (#peak 508) &rst ixpk= 508, nxpk= 0, iat= 937, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 66 THR HN 73 ILE QD1 5.24 (#peak 49) &rst ixpk= 49, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1054,1055,1056, &end # # 66 THR HN 84 ILE QD1 5.90 (#peak 4657) &rst ixpk= 4657, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1208,1209,1210, &end # # 66 THR HA 124 TYR QD 5.69 (#peak 1701) &rst ixpk= 1701, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=1815,1824, &end # # 66 THR HA 66 THR QG2 3.23 (#peak 3100) &rst ixpk= 3100, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 943, 944, 945, &end # # 66 THR HA 71 GLU HN 4.85 (#peak 838) &rst ixpk= 838, nxpk= 0, iat= 939,1007, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 66 THR HA 72 ILE HN 5.90 (#peak 278) &rst ixpk= 278, nxpk= 0, iat= 939,1022, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 66 THR HA 72 ILE HA 3.86 (#peak 4395) &rst ixpk= 4395, nxpk= 0, iat= 939,1024, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 66 THR HA 72 ILE QG2 4.95 (#peak 3901) &rst ixpk= 3901, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1028,1029,1030, &end # # 66 THR HA 73 ILE HN 4.00 (#peak 5156) &rst ixpk= 5156, nxpk= 0, iat= 939,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 66 THR HA 73 ILE HG12 5.08 (#peak 3908) &rst ixpk= 3908, nxpk= 0, iat= 939,1051, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 66 THR HA 73 ILE HG13 3.61 (#peak 1712) &rst ixpk= 1712, nxpk= 0, iat= 939,1052, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 66 THR HA 73 ILE QD1 5.01 (#peak 1702) &rst ixpk= 1702, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1054,1055,1056, &end # # 66 THR HA 73 ILE QG2 5.06 (#peak 1698) &rst ixpk= 1698, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=1047,1048,1049, &end # # 66 THR HA 84 ILE QD1 5.41 (#peak 4655) &rst ixpk= 4655, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1208,1209,1210, &end # # 66 THR HB 122 LYS HB2 5.14 (#peak 2266) &rst ixpk= 2266, nxpk= 0, iat= 941,1770, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 66 THR HB 124 TYR QD 5.04 (#peak 2453) &rst ixpk= 2453, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1815,1824, &end # # 66 THR HB 124 TYR QE 4.84 (#peak 2213) &rst ixpk= 2213, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1817,1822, &end # # 66 THR HB 67 ASN HN 3.86 (#peak 1176) &rst ixpk= 1176, nxpk= 0, iat= 941, 951, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 66 THR HB 67 ASN HA 5.60 (#peak 1764) &rst ixpk= 1764, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 66 THR HB 70 ASN HN 4.67 (#peak 2452) &rst ixpk= 2452, nxpk= 0, iat= 941, 993, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 66 THR HB 70 ASN HA 3.09 (#peak 687) &rst ixpk= 687, nxpk= 0, iat= 941, 995, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 66 THR HB 71 GLU HN 4.05 (#peak 840) &rst ixpk= 840, nxpk= 0, iat= 941,1007, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 66 THR HB 71 GLU QB 5.14 (#peak 2221) &rst ixpk= 2221, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2=1011,1012, &end # # 66 THR HB 73 ILE HN 5.58 (#peak 1093) &rst ixpk= 1093, nxpk= 0, iat= 941,1041, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end # # 66 THR N 122 LYS O 3.3 &rst ixpk= 1093, nxpk= 0, iat= 936,1786, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 66 THR QG2 124 TYR HB2 4.49 (#peak 3074) &rst ixpk= 3074, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 943, 944, 945, &end # # 66 THR QG2 124 TYR QD 3.17 (#peak 4265) &rst ixpk= 4265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1= 943, 944, 945, igr2=1815,1824, &end # # 66 THR QG2 124 TYR QE 3.54 (#peak 3071) &rst ixpk= 3071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 943, 944, 945, igr2=1817,1822, &end # # 66 THR QG2 67 ASN HN 3.77 (#peak 1180) &rst ixpk= 1180, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 943, 944, 945, &end # # 66 THR QG2 70 ASN HN 4.97 (#peak 862) &rst ixpk= 862, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 943, 944, 945, &end # # 66 THR QG2 70 ASN HA 4.67 (#peak 660) &rst ixpk= 660, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 943, 944, 945, &end # # 66 THR QG2 70 ASN HB3 4.14 (#peak 3073) &rst ixpk= 3073, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 943, 944, 945, &end # # 66 THR QG2 71 GLU HN 4.10 (#peak 836) &rst ixpk= 836, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 943, 944, 945, &end # # 66 THR QG2 72 ILE HN 4.18 (#peak 3098) &rst ixpk= 3098, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 943, 944, 945, &end # # 66 THR QG2 72 ILE HA 3.10 (#peak 3085) &rst ixpk= 3085, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 943, 944, 945, &end # # 66 THR QG2 73 ILE HN 4.20 (#peak 3111) &rst ixpk= 3111, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 943, 944, 945, &end # # 66 THR QG2 84 ILE QD1 2.53 (#peak 4910) &rst ixpk= 4910, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr1= 943, 944, 945, igr2=1208,1209,1210, &end # # 66 THR QG2 84 ILE QG2 4.29 (#peak 3104) &rst ixpk= 3104, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 943, 944, 945, igr2=1201,1202,1203, &end # # 67 ASN HN 121 TYR HA 4.96 (#peak 489) &rst ixpk= 489, nxpk= 0, iat= 951,1747, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 67 ASN HN 69 ASN HN 5.48 (#peak 1182) &rst ixpk= 1182, nxpk= 0, iat= 951, 979, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 67 ASN HN 70 ASN HN 5.44 (#peak 1444) &rst ixpk= 1444, nxpk= 0, iat= 951, 993, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 67 ASN HN 71 GLU HN 3.93 (#peak 829) &rst ixpk= 829, nxpk= 0, iat= 951,1007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 67 ASN HN 71 GLU QB 4.70 (#peak 1179) &rst ixpk= 1179, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1011,1012, &end # # 67 ASN HN 73 ILE HN 5.25 (#peak 1183) &rst ixpk= 1183, nxpk= 0, iat= 951,1041, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 67 ASN HA 121 TYR HA 3.84 (#peak 5504) &rst ixpk= 5504, nxpk= 0, iat= 953,1747, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 67 ASN HA 121 TYR HB2 5.90 (#peak 429) &rst ixpk= 429, nxpk= 0, iat= 953,1749, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 67 ASN HA 121 TYR QD 4.46 (#peak 1562) &rst ixpk= 1562, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1753,1762, &end # # 67 ASN HA 122 LYS HN 5.34 (#peak 1750) &rst ixpk= 1750, nxpk= 0, iat= 953,1766, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 67 ASN HA 122 LYS HB2 5.27 (#peak 1760) &rst ixpk= 1760, nxpk= 0, iat= 953,1770, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 67 ASN HA 67 ASN HD21 4.80 (#peak 1757) &rst ixpk= 1757, nxpk= 0, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 67 ASN HA 67 ASN HD22 4.31 (#peak 1755) &rst ixpk= 1755, nxpk= 0, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 67 ASN HA 69 ASN HN 4.42 (#peak 1017) &rst ixpk= 1017, nxpk= 0, iat= 953, 979, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 67 ASN HA 71 GLU HN 4.94 (#peak 1561) &rst ixpk= 1561, nxpk= 0, iat= 953,1007, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 67 ASN HA 73 ILE QG2 5.13 (#peak 4018) &rst ixpk= 4018, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1047,1048,1049, &end # # 67 ASN HB2 71 GLU HN 3.96 (#peak 4627) &rst ixpk= 4627, nxpk= 0, iat= 955,1007, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 67 ASN HB2 73 ILE QG2 4.52 (#peak 4020) &rst ixpk= 4020, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1047,1048,1049, &end # # 67 ASN HB3 68 THR HN 4.60 (#peak 2915) &rst ixpk= 2915, nxpk= 0, iat= 956, 965, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 67 ASN HB3 68 THR HA 4.76 (#peak 927) &rst ixpk= 927, nxpk= 0, iat= 956, 967, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 67 ASN HB3 71 GLU HN 4.55 (#peak 4602) &rst ixpk= 4602, nxpk= 0, iat= 956,1007, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 67 ASN HB3 71 GLU QB 4.51 (#peak 833) &rst ixpk= 833, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1011,1012, &end # # 67 ASN HB3 73 ILE QG2 4.70 (#peak 4635) &rst ixpk= 4635, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=1047,1048,1049, &end # # 67 ASN HD21 121 TYR HA 4.22 (#peak 1927) &rst ixpk= 1927, nxpk= 0, iat= 960,1747, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 67 ASN HD21 121 TYR HB3 5.47 (#peak 3279) &rst ixpk= 3279, nxpk= 0, iat= 960,1750, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 67 ASN HD21 122 LYS HN 5.90 (#peak 1395) &rst ixpk= 1395, nxpk= 0, iat= 960,1766, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 67 ASN HD21 73 ILE HG12 5.03 (#peak 1403) &rst ixpk= 1403, nxpk= 0, iat= 960,1051, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 67 ASN HD21 73 ILE QD1 3.65 (#peak 4285) &rst ixpk= 4285, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1054,1055,1056, &end # # 67 ASN HD21 73 ILE QG2 4.74 (#peak 4015) &rst ixpk= 4015, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1047,1048,1049, &end # # 67 ASN HD22 121 TYR HB3 4.86 (#peak 3357) &rst ixpk= 3357, nxpk= 0, iat= 961,1750, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 67 ASN HD22 73 ILE QD1 3.93 (#peak 5380) &rst ixpk= 5380, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1054,1055,1056, &end # # 68 THR HN 121 TYR HA 5.21 (#peak 1404) &rst ixpk= 1404, nxpk= 0, iat= 965,1747, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 68 THR HN 68 THR QG2 3.33 (#peak 4122) &rst ixpk= 4122, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 971, 972, 973, &end # # 68 THR HN 69 ASN HN 4.61 (#peak 936) &rst ixpk= 936, nxpk= 0, iat= 965, 979, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 68 THR HA 122 LYS HB2 4.82 (#peak 4147) &rst ixpk= 4147, nxpk= 0, iat= 967,1770, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 68 THR HA 122 LYS HD2 4.07 (#peak 951) &rst ixpk= 951, nxpk= 0, iat= 967,1776, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 68 THR HA 122 LYS HD3 4.86 (#peak 926) &rst ixpk= 926, nxpk= 0, iat= 967,1777, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 68 THR HA 122 LYS QE 3.16 (#peak 3673) &rst ixpk= 3673, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=1779,1780, &end # # 68 THR HA 122 LYS QG 4.51 (#peak 1889) &rst ixpk= 1889, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1773,1774, &end # # 68 THR HA 68 THR QG2 3.14 (#peak 4169) &rst ixpk= 4169, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 971, 972, 973, &end # # 68 THR HA 70 ASN HN 4.67 (#peak 1458) &rst ixpk= 1458, nxpk= 0, iat= 967, 993, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 68 THR HB 120 LYS HB2 4.83 (#peak 3230) &rst ixpk= 3230, nxpk= 0, iat= 969,1727, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 68 THR HB 122 LYS QE 4.18 (#peak 3272) &rst ixpk= 3272, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=1779,1780, &end # # 68 THR HB 69 ASN HN 4.69 (#peak 943) &rst ixpk= 943, nxpk= 0, iat= 969, 979, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 68 THR QG2 120 LYS HN 4.49 (#peak 4111) &rst ixpk= 4111, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 971, 972, 973, &end # # 68 THR QG2 120 LYS HB2 3.91 (#peak 2653) &rst ixpk= 2653, nxpk= 0, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 971, 972, 973, &end # # 68 THR QG2 120 LYS HB3 4.16 (#peak 70) &rst ixpk= 70, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 971, 972, 973, &end # # 68 THR QG2 122 LYS QE 4.68 (#peak 2651) &rst ixpk= 2651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 971, 972, 973, igr2=1779,1780, &end # # 68 THR QG2 69 ASN HN 4.02 (#peak 4102) &rst ixpk= 4102, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 971, 972, 973, &end # # 68 THR QG2 70 ASN HN 5.68 (#peak 1455) &rst ixpk= 1455, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 971, 972, 973, &end # # 69 ASN HN 122 LYS QE 5.83 (#peak 947) &rst ixpk= 947, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr2=1779,1780, &end # # 69 ASN HN 69 ASN HB2 3.66 (#peak 4550) &rst ixpk= 4550, nxpk= 0, iat= 979, 983, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 69 ASN HN 69 ASN HB3 3.68 (#peak 1015) &rst ixpk= 1015, nxpk= 0, iat= 979, 984, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 69 ASN HN 69 ASN HD21 5.90 (#peak 1580) &rst ixpk= 1580, nxpk= 0, iat= 979, 988, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 69 ASN HN 69 ASN HD22 4.74 (#peak 1021) &rst ixpk= 1021, nxpk= 0, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 69 ASN HN 70 ASN HN 3.84 (#peak 855) &rst ixpk= 855, nxpk= 0, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 69 ASN HN 70 ASN HA 4.98 (#peak 942) &rst ixpk= 942, nxpk= 0, iat= 979, 995, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 69 ASN HN 71 GLU HN 4.36 (#peak 937) &rst ixpk= 937, nxpk= 0, iat= 979,1007, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 69 ASN HN 71 GLU QB 4.69 (#peak 949) &rst ixpk= 949, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1011,1012, &end # # 69 ASN HA 69 ASN HD21 5.09 (#peak 1873) &rst ixpk= 1873, nxpk= 0, iat= 981, 988, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 69 ASN HA 69 ASN HD22 5.22 (#peak 1880) &rst ixpk= 1880, nxpk= 0, iat= 981, 989, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 69 ASN HA 71 GLU HN 4.98 (#peak 1879) &rst ixpk= 1879, nxpk= 0, iat= 981,1007, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 69 ASN HB2 69 ASN HD21 4.06 (#peak 2869) &rst ixpk= 2869, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 69 ASN HB2 70 ASN HN 5.00 (#peak 2868) &rst ixpk= 2868, nxpk= 0, iat= 983, 993, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 69 ASN HB2 71 GLU HN 4.69 (#peak 4548) &rst ixpk= 4548, nxpk= 0, iat= 983,1007, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 69 ASN HB2 71 GLU QB 4.78 (#peak 4575) &rst ixpk= 4575, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1011,1012, &end # # 69 ASN HB2 71 GLU QG 4.86 (#peak 2863) &rst ixpk= 2863, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1014,1015, &end # # 69 ASN HB3 69 ASN HD21 3.98 (#peak 3162) &rst ixpk= 3162, nxpk= 0, iat= 984, 988, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 69 ASN HB3 70 ASN HN 4.64 (#peak 1452) &rst ixpk= 1452, nxpk= 0, iat= 984, 993, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 69 ASN HB3 71 GLU HN 4.92 (#peak 759) &rst ixpk= 759, nxpk= 0, iat= 984,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 69 ASN HB3 71 GLU QB 5.04 (#peak 4531) &rst ixpk= 4531, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1011,1012, &end # # 69 ASN HB3 71 GLU QG 4.99 (#peak 4990) &rst ixpk= 4990, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1014,1015, &end # # 70 ASN HN 122 LYS HB2 4.70 (#peak 1460) &rst ixpk= 1460, nxpk= 0, iat= 993,1770, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 70 ASN HN 122 LYS HD2 5.90 (#peak 1453) &rst ixpk= 1453, nxpk= 0, iat= 993,1776, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 70 ASN HN 122 LYS HD3 5.90 (#peak 1454) &rst ixpk= 1454, nxpk= 0, iat= 993,1777, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 70 ASN HN 122 LYS QG 5.68 (#peak 4176) &rst ixpk= 4176, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=1773,1774, &end # # 70 ASN HN 124 TYR QE 5.06 (#peak 856) &rst ixpk= 856, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1817,1822, &end # # 70 ASN HN 71 GLU HN 3.84 (#peak 1445) &rst ixpk= 1445, nxpk= 0, iat= 993,1007, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 70 ASN HN 83 ASN HD22 4.90 (#peak 1327) &rst ixpk= 1327, nxpk= 0, iat= 993,1191, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 70 ASN HA 124 TYR QD 5.22 (#peak 2153) &rst ixpk= 2153, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1815,1824, &end # # 70 ASN HA 124 TYR QE 4.24 (#peak 2150) &rst ixpk= 2150, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1817,1822, &end # # 70 ASN HA 70 ASN HD22 4.12 (#peak 722) &rst ixpk= 722, nxpk= 0, iat= 995,1003, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 70 ASN HA 83 ASN HD22 4.67 (#peak 1333) &rst ixpk= 1333, nxpk= 0, iat= 995,1191, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 70 ASN HB2 71 GLU HN 4.98 (#peak 2779) &rst ixpk= 2779, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 70 ASN HB2 83 ASN HA 5.85 (#peak 2772) &rst ixpk= 2772, nxpk= 0, iat= 997,1183, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end # # 70 ASN HB2 83 ASN HD22 5.48 (#peak 2782) &rst ixpk= 2782, nxpk= 0, iat= 997,1191, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 70 ASN HB2 84 ILE HN 4.44 (#peak 901) &rst ixpk= 901, nxpk= 0, iat= 997,1195, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 70 ASN HB2 84 ILE HB 4.90 (#peak 2778) &rst ixpk= 2778, nxpk= 0, iat= 997,1199, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 70 ASN HB2 84 ILE QD1 5.90 (#peak 1720) &rst ixpk= 1720, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1208,1209,1210, &end # # 70 ASN HB2 84 ILE QG2 5.16 (#peak 854) &rst ixpk= 854, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=1201,1202,1203, &end # # 70 ASN HB3 71 GLU HN 4.92 (#peak 2809) &rst ixpk= 2809, nxpk= 0, iat= 998,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 70 ASN HB3 83 ASN HA 5.90 (#peak 2812) &rst ixpk= 2812, nxpk= 0, iat= 998,1183, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 70 ASN HB3 84 ILE HN 4.75 (#peak 2813) &rst ixpk= 2813, nxpk= 0, iat= 998,1195, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 70 ASN HB3 84 ILE HB 5.40 (#peak 2820) &rst ixpk= 2820, nxpk= 0, iat= 998,1199, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 70 ASN HB3 84 ILE QD1 5.18 (#peak 2821) &rst ixpk= 2821, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=1208,1209,1210, &end # # 70 ASN HB3 84 ILE QG2 4.89 (#peak 4411) &rst ixpk= 4411, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1201,1202,1203, &end # # 70 ASN HD21 122 LYS QG 5.59 (#peak 4175) &rst ixpk= 4175, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2=1773,1774, &end # # 70 ASN HD22 122 LYS HD2 3.84 (#peak 3683) &rst ixpk= 3683, nxpk= 0, iat=1003,1776, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 70 ASN HD22 122 LYS QG 5.18 (#peak 4177) &rst ixpk= 4177, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1773,1774, &end # # 70 ASN HD22 83 ASN HD22 5.90 (#peak 205) &rst ixpk= 205, nxpk= 0, iat=1003,1191, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 70 ASN HD22 86 PRO HB2 5.70 (#peak 876) &rst ixpk= 876, nxpk= 0, iat=1003,1233, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 71 GLU HN 71 GLU QB 3.28 (#peak 863) &rst ixpk= 863, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1011,1012, &end # # 71 GLU HN 71 GLU QG 4.38 (#peak 4960) &rst ixpk= 4960, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1014,1015, &end # # 71 GLU HN 72 ILE HN 5.37 (#peak 318) &rst ixpk= 318, nxpk= 0, iat=1007,1022, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 71 GLU HN 83 ASN HA 5.14 (#peak 832) &rst ixpk= 832, nxpk= 0, iat=1007,1183, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 71 GLU HN 83 ASN HD22 5.38 (#peak 773) &rst ixpk= 773, nxpk= 0, iat=1007,1191, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 71 GLU HA 71 GLU QG 3.63 (#peak 4955) &rst ixpk= 4955, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1014,1015, &end # # 71 GLU HA 72 ILE HG13 3.87 (#peak 1122) &rst ixpk= 1122, nxpk= 0, iat=1009,1033, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 71 GLU HA 73 ILE HN 5.90 (#peak 954) &rst ixpk= 954, nxpk= 0, iat=1009,1041, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 71 GLU HA 82 VAL HN 5.33 (#peak 1072) &rst ixpk= 1072, nxpk= 0, iat=1009,1165, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 71 GLU HA 83 ASN HA 3.33 (#peak 634) &rst ixpk= 634, nxpk= 0, iat=1009,1183, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 71 GLU HA 83 ASN HB2 4.45 (#peak 3884) &rst ixpk= 3884, nxpk= 0, iat=1009,1185, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 71 GLU HA 83 ASN HB3 4.88 (#peak 3832) &rst ixpk= 3832, nxpk= 0, iat=1009,1186, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 71 GLU HA 83 ASN HD21 5.88 (#peak 1585) &rst ixpk= 1585, nxpk= 0, iat=1009,1190, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 71 GLU HA 83 ASN HD22 5.87 (#peak 1318) &rst ixpk= 1318, nxpk= 0, iat=1009,1191, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 71 GLU HA 84 ILE HN 4.38 (#peak 633) &rst ixpk= 633, nxpk= 0, iat=1009,1195, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 71 GLU HA 84 ILE QD1 5.75 (#peak 2096) &rst ixpk= 2096, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2=1208,1209,1210, &end # # 71 GLU QB 72 ILE HN 4.72 (#peak 240) &rst ixpk= 240, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1011,1012, &end # # 71 GLU QB 72 ILE HA 5.08 (#peak 4420) &rst ixpk= 4420, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1011,1012, &end # # 71 GLU QB 73 ILE HN 4.83 (#peak 3564) &rst ixpk= 3564, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=1011,1012, &end # # 71 GLU QB 73 ILE QG2 4.18 (#peak 867) &rst ixpk= 867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1011,1012, igr2=1047,1048,1049, &end # # 71 GLU QB 81 GLY HN 5.49 (#peak 1470) &rst ixpk= 1470, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=1011,1012, &end # # 71 GLU QB 82 VAL HN 5.26 (#peak 1078) &rst ixpk= 1078, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1011,1012, &end # # 71 GLU QB 83 ASN HA 5.30 (#peak 868) &rst ixpk= 868, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1011,1012, &end # # 71 GLU QB 83 ASN HD22 5.88 (#peak 1337) &rst ixpk= 1337, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1=1011,1012, &end # # 71 GLU QG 72 ILE HN 4.23 (#peak 4942) &rst ixpk= 4942, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1=1014,1015, &end # # 71 GLU QG 81 GLY HN 4.71 (#peak 213) &rst ixpk= 213, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=1014,1015, &end # # 71 GLU QG 81 GLY HA2 4.99 (#peak 2626) &rst ixpk= 2626, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1014,1015, &end # # 71 GLU QG 82 VAL HN 4.08 (#peak 1077) &rst ixpk= 1077, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1014,1015, &end # # 71 GLU QG 83 ASN HN 5.90 (#peak 270) &rst ixpk= 270, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1014,1015, &end # # 71 GLU QG 83 ASN HA 4.76 (#peak 1629) &rst ixpk= 1629, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1014,1015, &end # # 71 GLU QG 83 ASN HD21 5.90 (#peak 1081) &rst ixpk= 1081, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1014,1015, &end # # 71 GLU QG 83 ASN HD22 4.70 (#peak 1340) &rst ixpk= 1340, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=1014,1015, &end # # 71 GLU QG 84 ILE HN 5.30 (#peak 926) &rst ixpk= 926, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1014,1015, &end # # 72 ILE HN 72 ILE HB 3.71 (#peak 4610) &rst ixpk= 4610, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 72 ILE HN 72 ILE HG12 3.46 (#peak 4274) &rst ixpk= 4274, nxpk= 0, iat=1022,1032, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 72 ILE HN 72 ILE HG13 4.24 (#peak 1120) &rst ixpk= 1120, nxpk= 0, iat=1022,1033, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 72 ILE HN 72 ILE QD1 4.12 (#peak 4745) &rst ixpk= 4745, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1035,1036,1037, &end # # 72 ILE HN 72 ILE QG2 3.85 (#peak 3899) &rst ixpk= 3899, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=1028,1029,1030, &end # # 72 ILE HN 73 ILE HN 5.47 (#peak 275) &rst ixpk= 275, nxpk= 0, iat=1022,1041, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 72 ILE HN 80 LEU HN 5.10 (#peak 317) &rst ixpk= 317, nxpk= 0, iat=1022,1139, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 72 ILE HN 80 LEU HB3 5.90 (#peak 277) &rst ixpk= 277, nxpk= 0, iat=1022,1144, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 72 ILE HN 82 VAL HN 4.58 (#peak 1069) &rst ixpk= 1069, nxpk= 0, iat=1022,1165, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 72 ILE HN 82 VAL QQG 4.22 (#peak 2919) &rst ixpk= 2919, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1171,1172,1173,1175,1176,1177, &end # # 72 ILE HN 83 ASN HN 5.29 (#peak 261) &rst ixpk= 261, nxpk= 0, iat=1022,1181, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 72 ILE HN 83 ASN HA 3.75 (#peak 1554) &rst ixpk= 1554, nxpk= 0, iat=1022,1183, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 72 ILE HN 83 ASN HB2 5.90 (#peak 239) &rst ixpk= 239, nxpk= 0, iat=1022,1185, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 72 ILE HN 84 ILE QD1 5.06 (#peak 329) &rst ixpk= 329, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=1208,1209,1210, &end # # 72 ILE HA 72 ILE QD1 3.93 (#peak 4749) &rst ixpk= 4749, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1035,1036,1037, &end # # 72 ILE HA 72 ILE QG2 3.43 (#peak 3921) &rst ixpk= 3921, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1028,1029,1030, &end # # 72 ILE HA 73 ILE HN 3.48 (#peak 4394) &rst ixpk= 4394, nxpk= 0, iat=1024,1041, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 72 ILE HA 73 ILE HG13 4.92 (#peak 4367) &rst ixpk= 4367, nxpk= 0, iat=1024,1052, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 72 ILE HA 82 VAL HN 5.90 (#peak 1634) &rst ixpk= 1634, nxpk= 0, iat=1024,1165, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 72 ILE HA 83 ASN HA 5.80 (#peak 4419) &rst ixpk= 4419, nxpk= 0, iat=1024,1183, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 72 ILE HA 84 ILE QD1 4.04 (#peak 638) &rst ixpk= 638, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1208,1209,1210, &end # # 72 ILE HB 72 ILE QD1 3.79 (#peak 4613) &rst ixpk= 4613, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1035,1036,1037, &end # # 72 ILE HB 73 ILE HN 5.18 (#peak 3776) &rst ixpk= 3776, nxpk= 0, iat=1026,1041, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 72 ILE HB 82 VAL HN 4.37 (#peak 1080) &rst ixpk= 1080, nxpk= 0, iat=1026,1165, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 72 ILE HB 83 ASN HA 5.45 (#peak 1631) &rst ixpk= 1631, nxpk= 0, iat=1026,1183, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 72 ILE HG12 83 ASN HA 4.39 (#peak 1636) &rst ixpk= 1636, nxpk= 0, iat=1032,1183, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 72 ILE HG12 84 ILE QD1 4.47 (#peak 1154) &rst ixpk= 1154, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1208,1209,1210, &end # # 72 ILE HG13 82 VAL QQG 3.65 (#peak 2770) &rst ixpk= 2770, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1171,1172,1173,1175,1176,1177, &end # # 72 ILE HG13 83 ASN HA 5.31 (#peak 3741) &rst ixpk= 3741, nxpk= 0, iat=1033,1183, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 72 ILE HG13 84 ILE HG12 4.28 (#peak 1502) &rst ixpk= 1502, nxpk= 0, iat=1033,1205, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 72 ILE HG13 84 ILE HG13 3.96 (#peak 1145) &rst ixpk= 1145, nxpk= 0, iat=1033,1206, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 72 ILE HG13 84 ILE QD1 3.67 (#peak 4909) &rst ixpk= 4909, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1208,1209,1210, &end # # 72 ILE QD1 82 VAL HN 4.54 (#peak 1083) &rst ixpk= 1083, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1035,1036,1037, &end # # 72 ILE QD1 82 VAL HA 4.68 (#peak 4394) &rst ixpk= 4394, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1035,1036,1037, &end # # 72 ILE QD1 82 VAL HB 3.88 (#peak 5213) &rst ixpk= 5213, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1035,1036,1037, &end # # 72 ILE QD1 82 VAL QQG 2.50 (#peak 4754) &rst ixpk= 4754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1=1035,1036,1037, igr2=1171,1172,1173,1175,1176,1177, &end # # 72 ILE QD1 83 ASN HN 5.90 (#peak 273) &rst ixpk= 273, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1035,1036,1037, &end # # 72 ILE QD1 83 ASN HA 4.42 (#peak 1579) &rst ixpk= 1579, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1=1035,1036,1037, &end # # 72 ILE QD1 84 ILE HG13 3.79 (#peak 4720) &rst ixpk= 4720, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=1035,1036,1037, &end # # 72 ILE QD1 84 ILE QD1 2.85 (#peak 4911) &rst ixpk= 4911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1035,1036,1037, igr2=1208,1209,1210, &end # # 72 ILE QD1 92 SER HN 4.80 (#peak 4775) &rst ixpk= 4775, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=1035,1036,1037, &end # # 72 ILE QD1 93 GLY HN 5.49 (#peak 4392) &rst ixpk= 4392, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1=1035,1036,1037, &end # # 72 ILE QD1 95 MET HA 4.36 (#peak 4748) &rst ixpk= 4748, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=1035,1036,1037, &end # # 72 ILE QD1 95 MET QE 4.23 (#peak 4751) &rst ixpk= 4751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1=1035,1036,1037, igr2=1371,1372,1373, &end # # 72 ILE QD1 96 PRO HD2 4.75 (#peak 1628) &rst ixpk= 1628, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1035,1036,1037, &end # # 72 ILE QD1 96 PRO HD3 3.43 (#peak 4395) &rst ixpk= 4395, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1=1035,1036,1037, &end # # 72 ILE QD1 96 PRO QB 4.80 (#peak 4744) &rst ixpk= 4744, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1035,1036,1037, igr2=1384,1385, &end # # 72 ILE QG2 100 MET HN 4.36 (#peak 3924) &rst ixpk= 3924, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=1028,1029,1030, &end # # 72 ILE QG2 101 LYS QE 4.59 (#peak 3517) &rst ixpk= 3517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=1028,1029,1030, igr2=1455,1456, &end # # 72 ILE QG2 72 ILE QD1 2.83 (#peak 3903) &rst ixpk= 3903, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1=1028,1029,1030, igr2=1035,1036,1037, &end # # 72 ILE QG2 73 ILE HN 4.18 (#peak 1082) &rst ixpk= 1082, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1=1028,1029,1030, &end # # 72 ILE QG2 80 LEU HG 3.63 (#peak 1836) &rst ixpk= 1836, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=1028,1029,1030, &end # # 72 ILE QG2 82 VAL HN 5.29 (#peak 4169) &rst ixpk= 4169, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=1028,1029,1030, &end # # 72 ILE QG2 95 MET QE 4.98 (#peak 3934) &rst ixpk= 3934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1=1028,1029,1030, igr2=1371,1372,1373, &end # # 72 ILE QG2 96 PRO HD3 3.95 (#peak 3922) &rst ixpk= 3922, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=1028,1029,1030, &end # # 72 ILE QG2 99 ALA HN 5.00 (#peak 1246) &rst ixpk= 1246, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1028,1029,1030, &end # # 72 ILE QG2 99 ALA HA 3.81 (#peak 1306) &rst ixpk= 1306, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1028,1029,1030, &end # # 72 ILE QG2 99 ALA QB 2.80 (#peak 2792) &rst ixpk= 2792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1028,1029,1030, igr2=1419,1420,1421, &end # # 73 ILE HN 73 ILE HG12 3.81 (#peak 2115) &rst ixpk= 2115, nxpk= 0, iat=1041,1051, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 73 ILE HN 73 ILE HG13 4.63 (#peak 4353) &rst ixpk= 4353, nxpk= 0, iat=1041,1052, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 73 ILE HN 73 ILE QD1 4.09 (#peak 4248) &rst ixpk= 4248, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1054,1055,1056, &end # # 73 ILE HN 73 ILE QG2 3.62 (#peak 4053) &rst ixpk= 4053, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=1047,1048,1049, &end # # 73 ILE HN 74 ASP HN 5.18 (#peak 997) &rst ixpk= 997, nxpk= 0, iat=1041,1060, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 73 ILE HA 73 ILE QD1 4.71 (#peak 4188) &rst ixpk= 4188, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1054,1055,1056, &end # # 73 ILE HA 73 ILE QG2 3.17 (#peak 4016) &rst ixpk= 4016, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2=1047,1048,1049, &end # # 73 ILE HA 74 ASP HN 3.38 (#peak 8) &rst ixpk= 8, nxpk= 0, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 73 ILE HA 74 ASP HA 5.82 (#peak 1900) &rst ixpk= 1900, nxpk= 0, iat=1043,1062, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 73 ILE HA 77 GLY HN 5.57 (#peak 1427) &rst ixpk= 1427, nxpk= 0, iat=1043,1101, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 73 ILE HA 78 GLN HN 5.07 (#peak 574) &rst ixpk= 574, nxpk= 0, iat=1043,1108, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 73 ILE HA 78 GLN HA 5.65 (#peak 559) &rst ixpk= 559, nxpk= 0, iat=1043,1110, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 73 ILE HA 78 GLN QB 5.70 (#peak 1641) &rst ixpk= 1641, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1112,1113, &end # # 73 ILE HA 79 THR HA 3.75 (#peak 4847) &rst ixpk= 4847, nxpk= 0, iat=1043,1127, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 73 ILE HA 79 THR QG2 4.29 (#peak 1645) &rst ixpk= 1645, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1131,1132,1133, &end # # 73 ILE HA 80 LEU HN 4.22 (#peak 7) &rst ixpk= 7, nxpk= 0, iat=1043,1139, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 73 ILE HA 80 LEU QD1 4.92 (#peak 1924) &rst ixpk= 1924, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=1148,1149,1150, &end # # 73 ILE HB 116 LEU QD1 4.84 (#peak 2473) &rst ixpk= 2473, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1679,1680,1681, &end # # 73 ILE HB 73 ILE QD1 3.30 (#peak 4288) &rst ixpk= 4288, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=1054,1055,1056, &end # # 73 ILE HB 74 ASP HN 3.76 (#peak 3573) &rst ixpk= 3573, nxpk= 0, iat=1045,1060, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 73 ILE HB 77 GLY HN 4.63 (#peak 1435) &rst ixpk= 1435, nxpk= 0, iat=1045,1101, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 73 ILE HB 77 GLY HA2 5.17 (#peak 2943) &rst ixpk= 2943, nxpk= 0, iat=1045,1103, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 73 ILE HB 77 GLY HA3 4.53 (#peak 3535) &rst ixpk= 3535, nxpk= 0, iat=1045,1104, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 73 ILE HB 79 THR HN 5.12 (#peak 1296) &rst ixpk= 1296, nxpk= 0, iat=1045,1125, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 73 ILE HB 79 THR HB 5.61 (#peak 3171) &rst ixpk= 3171, nxpk= 0, iat=1045,1129, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 73 ILE HB 79 THR QG2 3.49 (#peak 2428) &rst ixpk= 2428, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1131,1132,1133, &end # # 73 ILE HG12 74 ASP HN 5.27 (#peak 1016) &rst ixpk= 1016, nxpk= 0, iat=1051,1060, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 73 ILE HG12 79 THR QG2 4.95 (#peak 2429) &rst ixpk= 2429, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1131,1132,1133, &end # # 73 ILE QD1 100 MET HB2 5.90 (#peak 672) &rst ixpk= 672, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1054,1055,1056, &end # # 73 ILE QD1 116 LEU QD1 3.03 (#peak 4290) &rst ixpk= 4290, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1=1054,1055,1056, igr2=1679,1680,1681, &end # # 73 ILE QD1 116 LEU QD2 4.12 (#peak 4252) &rst ixpk= 4252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1054,1055,1056, igr2=1683,1684,1685, &end # # 73 ILE QD1 121 TYR HE2 4.97 (#peak 1389) &rst ixpk= 1389, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=1054,1055,1056, &end # # 73 ILE QD1 74 ASP HN 3.92 (#peak 1007) &rst ixpk= 1007, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1054,1055,1056, &end # # 73 ILE QD1 76 ASN HN 4.82 (#peak 1197) &rst ixpk= 1197, nxpk= 0, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=1054,1055,1056, &end # # 73 ILE QD1 77 GLY HN 4.01 (#peak 4247) &rst ixpk= 4247, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=1054,1055,1056, &end # # 73 ILE QD1 77 GLY HA2 3.59 (#peak 4249) &rst ixpk= 4249, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1054,1055,1056, &end # # 73 ILE QD1 77 GLY HA3 3.58 (#peak 4250) &rst ixpk= 4250, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1=1054,1055,1056, &end # # 73 ILE QD1 78 GLN HN 4.54 (#peak 584) &rst ixpk= 584, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1054,1055,1056, &end # # 73 ILE QG2 116 LEU QD1 5.90 (#peak 4027) &rst ixpk= 4027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01, igr1=1047,1048,1049, igr2=1679,1680,1681, &end # # 73 ILE QG2 73 ILE HG12 3.15 (#peak 4024) &rst ixpk= 4024, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1=1047,1048,1049, &end # # 73 ILE QG2 73 ILE HG13 3.05 (#peak 2065) &rst ixpk= 2065, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=1047,1048,1049, &end # # 73 ILE QG2 74 ASP HN 3.91 (#peak 4243) &rst ixpk= 4243, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1047,1048,1049, &end # # 73 ILE QG2 77 GLY HN 5.58 (#peak 4241) &rst ixpk= 4241, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1=1047,1048,1049, &end # # 73 ILE QG2 77 GLY HA3 4.73 (#peak 2832) &rst ixpk= 2832, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=1047,1048,1049, &end # # 73 ILE QG2 79 THR HN 4.57 (#peak 1298) &rst ixpk= 1298, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1047,1048,1049, &end # # 73 ILE QG2 79 THR HA 2.87 (#peak 5401) &rst ixpk= 5401, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr1=1047,1048,1049, &end # # 73 ILE QG2 79 THR HB 4.96 (#peak 3140) &rst ixpk= 3140, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1=1047,1048,1049, &end # # 73 ILE QG2 79 THR QG2 2.73 (#peak 4025) &rst ixpk= 4025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=1047,1048,1049, igr2=1131,1132,1133, &end # # 74 ASP HN 100 MET HN 5.49 (#peak 1000) &rst ixpk= 1000, nxpk= 0, iat=1060,1425, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 74 ASP HN 77 GLY HA2 5.87 (#peak 1004) &rst ixpk= 1004, nxpk= 0, iat=1060,1103, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 74 ASP HN 78 GLN HN 4.30 (#peak 395) &rst ixpk= 395, nxpk= 0, iat=1060,1108, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 74 ASP HN 78 GLN HA 5.44 (#peak 998) &rst ixpk= 998, nxpk= 0, iat=1060,1110, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 74 ASP HN 78 GLN QB 5.12 (#peak 1220) &rst ixpk= 1220, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=1112,1113, &end # # 74 ASP HN 79 THR HA 5.86 (#peak 1003) &rst ixpk= 1003, nxpk= 0, iat=1060,1127, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 74 ASP HN 79 THR HB 5.90 (#peak 3137) &rst ixpk= 3137, nxpk= 0, iat=1060,1129, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 74 ASP HN 79 THR QG2 4.82 (#peak 2425) &rst ixpk= 2425, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1131,1132,1133, &end # # 74 ASP HN 80 LEU HN 5.43 (#peak 1583) &rst ixpk= 1583, nxpk= 0, iat=1060,1139, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 74 ASP HN 80 LEU HG 5.43 (#peak 1636) &rst ixpk= 1636, nxpk= 0, iat=1060,1146, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 74 ASP HN 80 LEU QD1 4.64 (#peak 999) &rst ixpk= 999, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1148,1149,1150, &end # # 74 ASP HN 80 LEU QD2 3.88 (#peak 2807) &rst ixpk= 2807, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1152,1153,1154, &end # # 74 ASP HA 100 MET HN 4.06 (#peak 1899) &rst ixpk= 1899, nxpk= 0, iat=1062,1425, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 74 ASP HA 100 MET HB3 4.51 (#peak 693) &rst ixpk= 693, nxpk= 0, iat=1062,1430, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 74 ASP HA 100 MET HG2 5.67 (#peak 210) &rst ixpk= 210, nxpk= 0, iat=1062,1432, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end # # 74 ASP HA 75 GLU HA 4.55 (#peak 1901) &rst ixpk= 1901, nxpk= 0, iat=1062,1074, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 74 ASP HA 80 LEU QD2 3.94 (#peak 1904) &rst ixpk= 1904, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1152,1153,1154, &end # # 74 ASP HA 99 ALA HA 4.10 (#peak 1304) &rst ixpk= 1304, nxpk= 0, iat=1062,1417, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 74 ASP HB2 100 MET HN 5.31 (#peak 457) &rst ixpk= 457, nxpk= 0, iat=1064,1425, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 74 ASP HB2 75 GLU HN 3.85 (#peak 3608) &rst ixpk= 3608, nxpk= 0, iat=1064,1072, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 74 ASP HB2 76 ASN HN 4.91 (#peak 1192) &rst ixpk= 1192, nxpk= 0, iat=1064,1087, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 74 ASP HB2 80 LEU HG 5.15 (#peak 1799) &rst ixpk= 1799, nxpk= 0, iat=1064,1146, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 74 ASP HB2 80 LEU QD2 4.03 (#peak 2810) &rst ixpk= 2810, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1152,1153,1154, &end # # 74 ASP HB3 100 MET HN 5.46 (#peak 3127) &rst ixpk= 3127, nxpk= 0, iat=1065,1425, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 74 ASP HB3 75 GLU HN 3.89 (#peak 1210) &rst ixpk= 1210, nxpk= 0, iat=1065,1072, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 74 ASP HB3 76 ASN HN 5.33 (#peak 3567) &rst ixpk= 3567, nxpk= 0, iat=1065,1087, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 74 ASP HB3 80 LEU QD2 3.93 (#peak 2772) &rst ixpk= 2772, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1152,1153,1154, &end # # 74 ASP HB3 99 ALA HA 5.90 (#peak 778) &rst ixpk= 778, nxpk= 0, iat=1065,1417, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 75 GLU HN 100 MET HN 4.94 (#peak 1204) &rst ixpk= 1204, nxpk= 0, iat=1072,1425, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 75 GLU HN 100 MET HB2 4.72 (#peak 550) &rst ixpk= 550, nxpk= 0, iat=1072,1429, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 75 GLU HN 100 MET HB3 5.06 (#peak 1214) &rst ixpk= 1214, nxpk= 0, iat=1072,1430, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 75 GLU HN 75 GLU HB2 4.01 (#peak 1076) &rst ixpk= 1076, nxpk= 0, iat=1072,1076, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 75 GLU HN 75 GLU HB3 3.79 (#peak 1213) &rst ixpk= 1213, nxpk= 0, iat=1072,1077, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 75 GLU HN 75 GLU HG2 3.76 (#peak 5138) &rst ixpk= 5138, nxpk= 0, iat=1072,1079, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 75 GLU HN 75 GLU HG3 3.91 (#peak 5113) &rst ixpk= 5113, nxpk= 0, iat=1072,1080, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 75 GLU HN 76 ASN HN 4.37 (#peak 1205) &rst ixpk= 1205, nxpk= 0, iat=1072,1087, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 75 GLU HN 99 ALA HA 5.45 (#peak 1208) &rst ixpk= 1208, nxpk= 0, iat=1072,1417, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 75 GLU HA 100 MET HB3 4.63 (#peak 132) &rst ixpk= 132, nxpk= 0, iat=1074,1430, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 75 GLU HA 100 MET QE 3.96 (#peak 2144) &rst ixpk= 2144, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1436,1437,1438, &end # # 75 GLU HA 116 LEU QD1 3.66 (#peak 86) &rst ixpk= 86, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1679,1680,1681, &end # # 75 GLU HA 116 LEU QD2 4.74 (#peak 2133) &rst ixpk= 2133, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1683,1684,1685, &end # # 75 GLU HA 75 GLU HG3 4.00 (#peak 85) &rst ixpk= 85, nxpk= 0, iat=1074,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 75 GLU HA 77 GLY HN 4.51 (#peak 97) &rst ixpk= 97, nxpk= 0, iat=1074,1101, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 75 GLU HB2 100 MET QE 4.50 (#peak 3496) &rst ixpk= 3496, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1436,1437,1438, &end # # 75 GLU HB3 100 MET QE 3.33 (#peak 3559) &rst ixpk= 3559, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1436,1437,1438, &end # # 75 GLU HB3 116 LEU QD1 5.22 (#peak 4628) &rst ixpk= 4628, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2=1679,1680,1681, &end # # 75 GLU HB3 116 LEU QD2 4.63 (#peak 4759) &rst ixpk= 4759, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=1683,1684,1685, &end # # 75 GLU HB3 76 ASN HN 4.48 (#peak 1196) &rst ixpk= 1196, nxpk= 0, iat=1077,1087, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 75 GLU HG2 100 MET QE 4.94 (#peak 3357) &rst ixpk= 3357, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1436,1437,1438, &end # # 75 GLU HG2 76 ASN HN 4.79 (#peak 723) &rst ixpk= 723, nxpk= 0, iat=1079,1087, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 75 GLU HG2 76 ASN HD21 5.90 (#peak 208) &rst ixpk= 208, nxpk= 0, iat=1079,1096, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 75 GLU HG2 76 ASN HD22 4.63 (#peak 5034) &rst ixpk= 5034, nxpk= 0, iat=1079,1097, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 75 GLU HG3 100 MET QE 5.43 (#peak 4570) &rst ixpk= 4570, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=1436,1437,1438, &end # # 75 GLU HG3 76 ASN HA 4.72 (#peak 5141) &rst ixpk= 5141, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 76 ASN HN 116 LEU QD1 4.29 (#peak 1198) &rst ixpk= 1198, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1679,1680,1681, &end # # 76 ASN HN 76 ASN HB2 3.75 (#peak 1193) &rst ixpk= 1193, nxpk= 0, iat=1087,1091, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 76 ASN HN 76 ASN HB3 3.62 (#peak 1194) &rst ixpk= 1194, nxpk= 0, iat=1087,1092, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 76 ASN HN 76 ASN HD21 4.66 (#peak 1187) &rst ixpk= 1187, nxpk= 0, iat=1087,1096, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 76 ASN HN 76 ASN HD22 4.46 (#peak 1186) &rst ixpk= 1186, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 76 ASN HN 77 GLY HN 3.43 (#peak 1185) &rst ixpk= 1185, nxpk= 0, iat=1087,1101, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 76 ASN HN 77 GLY HA2 4.79 (#peak 1190) &rst ixpk= 1190, nxpk= 0, iat=1087,1103, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 76 ASN HN 77 GLY HA3 5.20 (#peak 1191) &rst ixpk= 1191, nxpk= 0, iat=1087,1104, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 76 ASN HN 78 GLN QB 5.29 (#peak 1195) &rst ixpk= 1195, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1112,1113, &end # # 76 ASN HA 115 ASN HB3 4.58 (#peak 1883) &rst ixpk= 1883, nxpk= 0, iat=1089,1661, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 76 ASN HA 115 ASN HD21 5.59 (#peak 1386) &rst ixpk= 1386, nxpk= 0, iat=1089,1665, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 76 ASN HA 116 LEU HA 4.14 (#peak 1237) &rst ixpk= 1237, nxpk= 0, iat=1089,1672, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 76 ASN HA 116 LEU QD1 3.97 (#peak 1892) &rst ixpk= 1892, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1679,1680,1681, &end # # 76 ASN HA 76 ASN HD21 4.86 (#peak 1894) &rst ixpk= 1894, nxpk= 0, iat=1089,1096, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 76 ASN HB2 77 GLY HN 4.97 (#peak 1432) &rst ixpk= 1432, nxpk= 0, iat=1091,1101, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 76 ASN HB2 78 GLN HN 5.02 (#peak 2993) &rst ixpk= 2993, nxpk= 0, iat=1091,1108, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 76 ASN HB3 76 ASN HD22 3.94 (#peak 3082) &rst ixpk= 3082, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 76 ASN HB3 77 GLY HN 4.70 (#peak 1433) &rst ixpk= 1433, nxpk= 0, iat=1092,1101, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 76 ASN HD22 78 GLN HN 5.17 (#peak 1221) &rst ixpk= 1221, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 77 GLY HN 116 LEU QD1 3.36 (#peak 2421) &rst ixpk= 2421, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=1679,1680,1681, &end # # 77 GLY HN 116 LEU QD2 5.18 (#peak 4746) &rst ixpk= 4746, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=1683,1684,1685, &end # # 77 GLY HN 78 GLN QB 4.95 (#peak 1434) &rst ixpk= 1434, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=1112,1113, &end # # 77 GLY HA3 116 LEU QD1 3.91 (#peak 2857) &rst ixpk= 2857, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1679,1680,1681, &end # # 78 GLN HN 116 LEU QD1 5.00 (#peak 4613) &rst ixpk= 4613, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1679,1680,1681, &end # # 78 GLN HN 78 GLN HG3 4.63 (#peak 32) &rst ixpk= 32, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 78 GLN HN 78 GLN QB 3.26 (#peak 1243) &rst ixpk= 1243, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2=1112,1113, &end # # 78 GLN HN 79 THR HN 4.60 (#peak 1290) &rst ixpk= 1290, nxpk= 0, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 78 GLN HA 78 GLN HG2 4.08 (#peak 771) &rst ixpk= 771, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 78 GLN HA 78 GLN HG3 3.60 (#peak 43) &rst ixpk= 43, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 78 GLN HA 78 GLN QB 2.98 (#peak 3405) &rst ixpk= 3405, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=1112,1113, &end # # 78 GLN HA 79 THR HN 2.83 (#peak 1293) &rst ixpk= 1293, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 78 GLN HA 79 THR QG2 4.68 (#peak 773) &rst ixpk= 773, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1131,1132,1133, &end # # 78 GLN HE21 79 THR HN 5.81 (#peak 1279) &rst ixpk= 1279, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 78 GLN HE22 80 LEU QD2 5.68 (#peak 1262) &rst ixpk= 1262, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2=1152,1153,1154, &end # # 78 GLN HG2 79 THR HN 4.49 (#peak 1294) &rst ixpk= 1294, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 78 GLN HG2 80 LEU HA 5.10 (#peak 845) &rst ixpk= 845, nxpk= 0, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 78 GLN HG2 80 LEU QD2 4.70 (#peak 28) &rst ixpk= 28, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=1152,1153,1154, &end # # 78 GLN HG3 80 LEU QD2 4.65 (#peak 34) &rst ixpk= 34, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1152,1153,1154, &end # # 78 GLN QB 78 GLN HE22 4.55 (#peak 1244) &rst ixpk= 1244, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1=1112,1113, &end # # 78 GLN QB 79 THR HN 3.99 (#peak 1295) &rst ixpk= 1295, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=1112,1113, &end # # 78 GLN QB 80 LEU QD2 3.85 (#peak 2812) &rst ixpk= 2812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1112,1113, igr2=1152,1153,1154, &end # # 79 THR HN 79 THR HB 3.65 (#peak 3169) &rst ixpk= 3169, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 79 THR HN 79 THR QG2 3.24 (#peak 1297) &rst ixpk= 1297, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1131,1132,1133, &end # # 79 THR HN 80 LEU QD1 5.90 (#peak 1281) &rst ixpk= 1281, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1148,1149,1150, &end # # 79 THR HN 80 LEU QD2 4.98 (#peak 1299) &rst ixpk= 1299, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=1152,1153,1154, &end # # 79 THR HA 79 THR QG2 2.98 (#peak 4848) &rst ixpk= 4848, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=1131,1132,1133, &end # # 79 THR HA 80 LEU QD2 5.37 (#peak 2132) &rst ixpk= 2132, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=1152,1153,1154, &end # # 79 THR HB 81 GLY HN 4.33 (#peak 1466) &rst ixpk= 1466, nxpk= 0, iat=1129,1158, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 79 THR HB 82 VAL HN 5.90 (#peak 1073) &rst ixpk= 1073, nxpk= 0, iat=1129,1165, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 80 LEU HN 80 LEU HB2 3.90 (#peak 935) &rst ixpk= 935, nxpk= 0, iat=1139,1143, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 80 LEU HN 80 LEU HB3 4.02 (#peak 3362) &rst ixpk= 3362, nxpk= 0, iat=1139,1144, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 80 LEU HN 80 LEU HG 4.97 (#peak 1783) &rst ixpk= 1783, nxpk= 0, iat=1139,1146, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 80 LEU HN 80 LEU QD1 4.52 (#peak 1945) &rst ixpk= 1945, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1148,1149,1150, &end # # 80 LEU HN 80 LEU QD2 3.67 (#peak 2848) &rst ixpk= 2848, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1152,1153,1154, &end # # 80 LEU HN 81 GLY HN 4.12 (#peak 1462) &rst ixpk= 1462, nxpk= 0, iat=1139,1158, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 80 LEU HN 82 VAL HN 4.98 (#peak 1070) &rst ixpk= 1070, nxpk= 0, iat=1139,1165, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 80 LEU HA 80 LEU HG 4.27 (#peak 1850) &rst ixpk= 1850, nxpk= 0, iat=1141,1146, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 80 LEU HA 80 LEU QD1 4.60 (#peak 1946) &rst ixpk= 1946, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=1148,1149,1150, &end # # 80 LEU HA 80 LEU QD2 2.84 (#peak 2808) &rst ixpk= 2808, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=1152,1153,1154, &end # # 80 LEU HB2 81 GLY HN 4.62 (#peak 1471) &rst ixpk= 1471, nxpk= 0, iat=1143,1158, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 80 LEU HB2 82 VAL HN 4.22 (#peak 1079) &rst ixpk= 1079, nxpk= 0, iat=1143,1165, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 80 LEU HB3 80 LEU QD2 3.27 (#peak 2814) &rst ixpk= 2814, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1152,1153,1154, &end # # 80 LEU HB3 81 GLY HN 4.59 (#peak 1472) &rst ixpk= 1472, nxpk= 0, iat=1144,1158, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 80 LEU HB3 96 PRO QB 4.88 (#peak 3392) &rst ixpk= 3392, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1384,1385, &end # # 80 LEU HG 96 PRO HA 4.65 (#peak 4453) &rst ixpk= 4453, nxpk= 0, iat=1146,1387, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 80 LEU HG 96 PRO HG2 4.23 (#peak 1425) &rst ixpk= 1425, nxpk= 0, iat=1146,1381, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 80 LEU HG 96 PRO HG3 3.91 (#peak 1428) &rst ixpk= 1428, nxpk= 0, iat=1146,1382, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 80 LEU HG 96 PRO QB 3.75 (#peak 202) &rst ixpk= 202, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2=1384,1385, &end # # 80 LEU HG 98 THR HN 4.98 (#peak 4450) &rst ixpk= 4450, nxpk= 0, iat=1146,1401, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 80 LEU HG 99 ALA HN 3.83 (#peak 4443) &rst ixpk= 4443, nxpk= 0, iat=1146,1415, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 80 LEU HG 99 ALA HA 3.42 (#peak 1833) &rst ixpk= 1833, nxpk= 0, iat=1146,1417, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 80 LEU QD1 96 PRO HA 4.00 (#peak 561) &rst ixpk= 561, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1148,1149,1150, &end # # 80 LEU QD1 97 ALA HN 5.46 (#peak 3665) &rst ixpk= 3665, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1148,1149,1150, &end # # 80 LEU QD1 97 ALA HA 5.07 (#peak 724) &rst ixpk= 724, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=1148,1149,1150, &end # # 80 LEU QD1 97 ALA QB 3.16 (#peak 3739) &rst ixpk= 3739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=1148,1149,1150, igr2=1395,1396,1397, &end # # 80 LEU QD1 99 ALA HN 3.75 (#peak 731) &rst ixpk= 731, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1148,1149,1150, &end # # 80 LEU QD1 99 ALA HA 4.68 (#peak 1314) &rst ixpk= 1314, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1148,1149,1150, &end # # 80 LEU QD2 100 MET HN 5.83 (#peak 4398) &rst ixpk= 4398, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1152,1153,1154, &end # # 80 LEU QD2 81 GLY HN 4.62 (#peak 1474) &rst ixpk= 1474, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=1152,1153,1154, &end # # 80 LEU QD2 82 VAL HN 5.34 (#peak 1325) &rst ixpk= 1325, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1=1152,1153,1154, &end # # 80 LEU QD2 96 PRO QB 4.31 (#peak 1594) &rst ixpk= 1594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1152,1153,1154, igr2=1384,1385, &end # # 80 LEU QD2 98 THR HN 5.68 (#peak 908) &rst ixpk= 908, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1=1152,1153,1154, &end # # 80 LEU QD2 99 ALA HA 4.16 (#peak 1603) &rst ixpk= 1603, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1152,1153,1154, &end # # 81 GLY HN 82 VAL HN 3.46 (#peak 1068) &rst ixpk= 1068, nxpk= 0, iat=1158,1165, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 81 GLY HN 82 VAL QQG 4.58 (#peak 1473) &rst ixpk= 1473, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1171,1172,1173,1175,1176,1177, &end # # 81 GLY HA2 82 VAL QQG 5.18 (#peak 2574) &rst ixpk= 2574, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=1171,1172,1173,1175,1176,1177, &end # # 81 GLY HA3 82 VAL QQG 4.28 (#peak 2661) &rst ixpk= 2661, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2=1171,1172,1173,1175,1176,1177, &end # # 82 VAL HN 82 VAL HB 3.49 (#peak 1081) &rst ixpk= 1081, nxpk= 0, iat=1165,1169, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 82 VAL HN 82 VAL QQG 3.18 (#peak 1082) &rst ixpk= 1082, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=1171,1172,1173,1175,1176,1177, &end # # 82 VAL HN 83 ASN HN 4.89 (#peak 263) &rst ixpk= 263, nxpk= 0, iat=1165,1181, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 82 VAL HN 83 ASN HA 4.97 (#peak 1071) &rst ixpk= 1071, nxpk= 0, iat=1165,1183, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 82 VAL HA 82 VAL QQG 2.89 (#peak 2569) &rst ixpk= 2569, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=1171,1172,1173,1175,1176,1177, &end # # 82 VAL HA 83 ASN HN 3.16 (#peak 4842) &rst ixpk= 4842, nxpk= 0, iat=1167,1181, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 82 VAL HA 83 ASN HA 5.06 (#peak 4846) &rst ixpk= 4846, nxpk= 0, iat=1167,1183, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 82 VAL HB 83 ASN HN 4.79 (#peak 5227) &rst ixpk= 5227, nxpk= 0, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 82 VAL HB 92 SER HN 5.90 (#peak 1132) &rst ixpk= 1132, nxpk= 0, iat=1169,1332, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 82 VAL QQG 83 ASN HN 3.13 (#peak 2890) &rst ixpk= 2890, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 83 ASN HA 3.98 (#peak 2888) &rst ixpk= 2888, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 83 ASN HB2 5.01 (#peak 3787) &rst ixpk= 3787, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 84 ILE HG12 3.58 (#peak 1548) &rst ixpk= 1548, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 84 ILE QD1 4.47 (#peak 2922) &rst ixpk= 2922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1=1171,1172,1173,1175,1176,1177, igr2=1208,1209,1210, &end # # 82 VAL QQG 92 SER HN 3.45 (#peak 1133) &rst ixpk= 1133, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 93 GLY HN 3.03 (#peak 2891) &rst ixpk= 2891, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 93 GLY HA3 3.69 (#peak 3377) &rst ixpk= 3377, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 96 PRO HA 3.99 (#peak 4562) &rst ixpk= 4562, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1171,1172,1173,1175,1176,1177, &end # # 82 VAL QQG 96 PRO QB 4.18 (#peak 2892) &rst ixpk= 2892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=1171,1172,1173,1175,1176,1177, igr2=1384,1385, &end # # 83 ASN HN 83 ASN HB2 3.77 (#peak 3880) &rst ixpk= 3880, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 83 ASN HN 83 ASN HB3 4.09 (#peak 3873) &rst ixpk= 3873, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 83 ASN HN 83 ASN HD21 5.59 (#peak 207) &rst ixpk= 207, nxpk= 0, iat=1181,1190, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 83 ASN HN 84 ILE HN 5.18 (#peak 262) &rst ixpk= 262, nxpk= 0, iat=1181,1195, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 83 ASN HN 84 ILE HA 5.07 (#peak 266) &rst ixpk= 266, nxpk= 0, iat=1181,1197, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 83 ASN HN 91 LEU HA 5.41 (#peak 265) &rst ixpk= 265, nxpk= 0, iat=1181,1315, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 83 ASN HN 91 LEU HB3 5.90 (#peak 271) &rst ixpk= 271, nxpk= 0, iat=1181,1318, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 83 ASN HN 92 SER HA 4.80 (#peak 201) &rst ixpk= 201, nxpk= 0, iat=1181,1334, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 83 ASN HN 93 GLY HN 5.57 (#peak 208) &rst ixpk= 208, nxpk= 0, iat=1181,1343, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 83 ASN HA 83 ASN HD21 5.75 (#peak 1315) &rst ixpk= 1315, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 83 ASN HA 83 ASN HD22 4.94 (#peak 1623) &rst ixpk= 1623, nxpk= 0, iat=1183,1191, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 83 ASN HA 84 ILE HN 3.31 (#peak 1555) &rst ixpk= 1555, nxpk= 0, iat=1183,1195, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 83 ASN HA 84 ILE HA 5.00 (#peak 1560) &rst ixpk= 1560, nxpk= 0, iat=1183,1197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 83 ASN HA 84 ILE HB 4.96 (#peak 4359) &rst ixpk= 4359, nxpk= 0, iat=1183,1199, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 83 ASN HA 84 ILE HG12 5.12 (#peak 1513) &rst ixpk= 1513, nxpk= 0, iat=1183,1205, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 83 ASN HA 84 ILE HG13 5.60 (#peak 4532) &rst ixpk= 4532, nxpk= 0, iat=1183,1206, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 83 ASN HA 84 ILE QD1 5.15 (#peak 1634) &rst ixpk= 1634, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2=1208,1209,1210, &end # # 83 ASN HA 84 ILE QG2 5.39 (#peak 4728) &rst ixpk= 4728, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=1201,1202,1203, &end # # 83 ASN HB2 84 ILE HN 3.96 (#peak 596) &rst ixpk= 596, nxpk= 0, iat=1185,1195, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 83 ASN HB2 92 SER HN 5.32 (#peak 1128) &rst ixpk= 1128, nxpk= 0, iat=1185,1332, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 83 ASN HB2 92 SER HB3 4.17 (#peak 3835) &rst ixpk= 3835, nxpk= 0, iat=1185,1337, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 83 ASN HB3 84 ILE HN 3.94 (#peak 3829) &rst ixpk= 3829, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 83 ASN HB3 92 SER HN 5.29 (#peak 1129) &rst ixpk= 1129, nxpk= 0, iat=1186,1332, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 83 ASN HB3 92 SER HB3 4.42 (#peak 3877) &rst ixpk= 3877, nxpk= 0, iat=1186,1337, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 83 ASN HD21 84 ILE HN 4.57 (#peak 602) &rst ixpk= 602, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 83 ASN HD22 84 ILE HN 5.03 (#peak 591) &rst ixpk= 591, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 84 ILE HN 84 ILE HB 3.72 (#peak 904) &rst ixpk= 904, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 84 ILE HN 84 ILE HG12 4.33 (#peak 1547) &rst ixpk= 1547, nxpk= 0, iat=1195,1205, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 84 ILE HN 84 ILE HG13 4.49 (#peak 1467) &rst ixpk= 1467, nxpk= 0, iat=1195,1206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 84 ILE HN 84 ILE QD1 4.57 (#peak 906) &rst ixpk= 906, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1208,1209,1210, &end # # 84 ILE HN 84 ILE QG2 4.17 (#peak 907) &rst ixpk= 907, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1201,1202,1203, &end # # 84 ILE HN 91 LEU HA 5.90 (#peak 888) &rst ixpk= 888, nxpk= 0, iat=1195,1315, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 84 ILE HA 84 ILE HG12 4.23 (#peak 1500) &rst ixpk= 1500, nxpk= 0, iat=1197,1205, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 84 ILE HA 84 ILE HG13 3.97 (#peak 1505) &rst ixpk= 1505, nxpk= 0, iat=1197,1206, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 84 ILE HA 84 ILE QD1 5.05 (#peak 5191) &rst ixpk= 5191, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=1208,1209,1210, &end # # 84 ILE HA 84 ILE QG2 3.32 (#peak 4729) &rst ixpk= 4729, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=1201,1202,1203, &end # # 84 ILE HA 85 ASP HN 3.24 (#peak 5188) &rst ixpk= 5188, nxpk= 0, iat=1197,1214, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 84 ILE HA 91 LEU HN 5.20 (#peak 5187) &rst ixpk= 5187, nxpk= 0, iat=1197,1313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 84 ILE HA 91 LEU HA 3.44 (#peak 629) &rst ixpk= 629, nxpk= 0, iat=1197,1315, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 84 ILE HB 124 TYR HB3 4.63 (#peak 1547) &rst ixpk= 1547, nxpk= 0, iat=1199,1812, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 84 ILE HB 124 TYR QE 4.42 (#peak 4358) &rst ixpk= 4358, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1817,1822, &end # # 84 ILE HB 84 ILE QD1 4.10 (#peak 4258) &rst ixpk= 4258, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1208,1209,1210, &end # # 84 ILE HB 85 ASP HN 5.34 (#peak 4363) &rst ixpk= 4363, nxpk= 0, iat=1199,1214, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 84 ILE HG12 85 ASP HN 5.39 (#peak 38) &rst ixpk= 38, nxpk= 0, iat=1205,1214, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 84 ILE HG12 91 LEU HA 4.98 (#peak 1546) &rst ixpk= 1546, nxpk= 0, iat=1205,1315, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 84 ILE HG13 85 ASP HN 5.16 (#peak 48) &rst ixpk= 48, nxpk= 0, iat=1206,1214, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 84 ILE HG13 91 LEU HA 4.89 (#peak 1468) &rst ixpk= 1468, nxpk= 0, iat=1206,1315, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 84 ILE HG13 91 LEU HG 4.80 (#peak 841) &rst ixpk= 841, nxpk= 0, iat=1206,1320, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 84 ILE HG13 91 LEU QD2 3.50 (#peak 4523) &rst ixpk= 4523, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1326,1327,1328, &end # # 84 ILE HG13 92 SER HN 5.69 (#peak 247) &rst ixpk= 247, nxpk= 0, iat=1206,1332, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 84 ILE QD1 124 TYR HN 5.23 (#peak 85) &rst ixpk= 85, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1=1208,1209,1210, &end # # 84 ILE QD1 124 TYR HB2 4.27 (#peak 3198) &rst ixpk= 3198, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1208,1209,1210, &end # # 84 ILE QD1 124 TYR HB3 4.29 (#peak 3256) &rst ixpk= 3256, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=1208,1209,1210, &end # # 84 ILE QD1 124 TYR QD 3.58 (#peak 4662) &rst ixpk= 4662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1208,1209,1210, igr2=1815,1824, &end # # 84 ILE QD1 124 TYR QE 4.71 (#peak 1373) &rst ixpk= 1373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=1208,1209,1210, igr2=1817,1822, &end # # 84 ILE QD1 126 ILE QD1 3.35 (#peak 122) &rst ixpk= 122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1208,1209,1210, igr2=1856,1857,1858, &end # # 84 ILE QD1 126 ILE QG2 4.85 (#peak 3957) &rst ixpk= 3957, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1=1208,1209,1210, igr2=1849,1850,1851, &end # # 84 ILE QD1 85 ASP HN 5.54 (#peak 49) &rst ixpk= 49, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1=1208,1209,1210, &end # # 84 ILE QD1 91 LEU HG 5.28 (#peak 842) &rst ixpk= 842, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1=1208,1209,1210, &end # # 84 ILE QD1 91 LEU QD1 4.17 (#peak 4675) &rst ixpk= 4675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1208,1209,1210, igr2=1322,1323,1324, &end # # 84 ILE QG2 124 TYR HA 5.00 (#peak 38) &rst ixpk= 38, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1201,1202,1203, &end # # 84 ILE QG2 124 TYR HB2 4.08 (#peak 4412) &rst ixpk= 4412, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1=1201,1202,1203, &end # # 84 ILE QG2 124 TYR HB3 4.97 (#peak 3257) &rst ixpk= 3257, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=1201,1202,1203, &end # # 84 ILE QG2 124 TYR QD 3.71 (#peak 4727) &rst ixpk= 4727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1201,1202,1203, igr2=1815,1824, &end # # 84 ILE QG2 124 TYR QE 3.81 (#peak 4726) &rst ixpk= 4726, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1201,1202,1203, igr2=1817,1822, &end # # 84 ILE QG2 126 ILE QD1 3.48 (#peak 123) &rst ixpk= 123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1=1201,1202,1203, igr2=1856,1857,1858, &end # # 84 ILE QG2 84 ILE HG12 4.04 (#peak 4063) &rst ixpk= 4063, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1201,1202,1203, &end # # 84 ILE QG2 84 ILE HG13 3.83 (#peak 4538) &rst ixpk= 4538, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=1201,1202,1203, &end # # 84 ILE QG2 84 ILE QD1 2.79 (#peak 4415) &rst ixpk= 4415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1201,1202,1203, igr2=1208,1209,1210, &end # # 84 ILE QG2 85 ASP HN 3.83 (#peak 700) &rst ixpk= 700, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=1201,1202,1203, &end # # 84 ILE QG2 85 ASP HA 5.09 (#peak 2014) &rst ixpk= 2014, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=1201,1202,1203, &end # # 84 ILE QG2 85 ASP HB2 4.82 (#peak 2941) &rst ixpk= 2941, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=1201,1202,1203, &end # # 84 ILE QG2 85 ASP HB3 4.86 (#peak 3184) &rst ixpk= 3184, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1201,1202,1203, &end # # 84 ILE QG2 86 PRO HA 4.65 (#peak 2089) &rst ixpk= 2089, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=1201,1202,1203, &end # # 84 ILE QG2 86 PRO QD 5.43 (#peak 2585) &rst ixpk= 2585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr1=1201,1202,1203, igr2=1227,1228, &end # # 84 ILE QG2 89 PHE HN 4.11 (#peak 990) &rst ixpk= 990, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1201,1202,1203, &end # # 84 ILE QG2 89 PHE HA 2.84 (#peak 4410) &rst ixpk= 4410, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr1=1201,1202,1203, &end # # 84 ILE QG2 89 PHE HB2 4.74 (#peak 2770) &rst ixpk= 2770, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1201,1202,1203, &end # # 84 ILE QG2 89 PHE HB3 4.28 (#peak 4732) &rst ixpk= 4732, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1201,1202,1203, &end # # 84 ILE QG2 89 PHE QD 3.54 (#peak 4725) &rst ixpk= 4725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1201,1202,1203, igr2=1279,1287, &end # # 84 ILE QG2 89 PHE QE 4.44 (#peak 4724) &rst ixpk= 4724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1201,1202,1203, igr2=1281,1285, &end # # 84 ILE QG2 90 LYS HN 4.42 (#peak 1028) &rst ixpk= 1028, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1=1201,1202,1203, &end # # 84 ILE QG2 90 LYS QE 5.90 (#peak 1749) &rst ixpk= 1749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1=1201,1202,1203, igr2=1304,1305, &end # # 84 ILE QG2 91 LEU HN 5.70 (#peak 4717) &rst ixpk= 4717, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1201,1202,1203, &end # # 84 ILE QG2 91 LEU HA 4.31 (#peak 1855) &rst ixpk= 1855, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=1201,1202,1203, &end # # 84 ILE QG2 91 LEU HG 4.01 (#peak 4432) &rst ixpk= 4432, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=1201,1202,1203, &end # # 84 ILE QG2 91 LEU QD1 5.08 (#peak 4738) &rst ixpk= 4738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1=1201,1202,1203, igr2=1322,1323,1324, &end # # 84 ILE QG2 91 LEU QD2 3.77 (#peak 2295) &rst ixpk= 2295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1201,1202,1203, igr2=1326,1327,1328, &end # # 84 ILE QG2 92 SER HN 5.56 (#peak 1134) &rst ixpk= 1134, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1=1201,1202,1203, &end # # 85 ASP HN 85 ASP HB2 3.79 (#peak 45) &rst ixpk= 45, nxpk= 0, iat=1214,1218, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 85 ASP HN 85 ASP HB3 3.58 (#peak 3620) &rst ixpk= 3620, nxpk= 0, iat=1214,1219, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 85 ASP HN 86 PRO HD2 5.30 (#peak 44) &rst ixpk= 44, nxpk= 0, iat=1214,1227, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 85 ASP HN 88 THR QG2 4.85 (#peak 4090) &rst ixpk= 4090, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2=1263,1264,1265, &end # # 85 ASP HN 89 PHE HA 4.27 (#peak 240) &rst ixpk= 240, nxpk= 0, iat=1214,1273, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 85 ASP HN 89 PHE QD 5.39 (#peak 705) &rst ixpk= 705, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=1279,1287, &end # # 85 ASP HN 90 LYS HN 4.02 (#peak 1020) &rst ixpk= 1020, nxpk= 0, iat=1214,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 85 ASP HN 90 LYS HG2 5.39 (#peak 2094) &rst ixpk= 2094, nxpk= 0, iat=1214,1298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 85 ASP HN 90 LYS HG3 5.01 (#peak 2127) &rst ixpk= 2127, nxpk= 0, iat=1214,1299, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 85 ASP HN 90 LYS QB 5.22 (#peak 93) &rst ixpk= 93, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1295,1296, &end # # 85 ASP HN 91 LEU HA 4.62 (#peak 41) &rst ixpk= 41, nxpk= 0, iat=1214,1315, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 85 ASP HN 92 SER HN 5.64 (#peak 1123) &rst ixpk= 1123, nxpk= 0, iat=1214,1332, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 85 ASP HA 86 PRO HD2 3.48 (#peak 1748) &rst ixpk= 1748, nxpk= 0, iat=1216,1227, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 85 ASP HA 86 PRO HD3 3.07 (#peak 1436) &rst ixpk= 1436, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 85 ASP HA 86 PRO QD 3.95 (#peak 2010) &rst ixpk= 2010, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=1227,1228, &end # # 85 ASP HA 86 PRO QG 4.69 (#peak 2013) &rst ixpk= 2013, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1230,1231, &end # # 85 ASP HA 90 LYS HN 5.41 (#peak 2016) &rst ixpk= 2016, nxpk= 0, iat=1216,1291, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 85 ASP HB2 87 GLN HN 4.65 (#peak 1148) &rst ixpk= 1148, nxpk= 0, iat=1218,1240, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 85 ASP HB2 87 GLN HB2 5.45 (#peak 3408) &rst ixpk= 3408, nxpk= 0, iat=1218,1244, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 85 ASP HB2 88 THR HN 3.78 (#peak 3557) &rst ixpk= 3557, nxpk= 0, iat=1218,1257, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 85 ASP HB2 88 THR HB 4.48 (#peak 2524) &rst ixpk= 2524, nxpk= 0, iat=1218,1261, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 85 ASP HB2 89 PHE HN 4.36 (#peak 987) &rst ixpk= 987, nxpk= 0, iat=1218,1271, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 85 ASP HB2 90 LYS HN 3.84 (#peak 3612) &rst ixpk= 3612, nxpk= 0, iat=1218,1291, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 85 ASP HB3 86 PRO HD2 4.72 (#peak 3571) &rst ixpk= 3571, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 85 ASP HB3 87 GLN HN 4.82 (#peak 1149) &rst ixpk= 1149, nxpk= 0, iat=1219,1240, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 85 ASP HB3 88 THR HN 4.61 (#peak 1521) &rst ixpk= 1521, nxpk= 0, iat=1219,1257, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 85 ASP HB3 88 THR HA 5.81 (#peak 681) &rst ixpk= 681, nxpk= 0, iat=1219,1259, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 85 ASP HB3 89 PHE HN 4.22 (#peak 3619) &rst ixpk= 3619, nxpk= 0, iat=1219,1271, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 85 ASP HB3 89 PHE HA 4.93 (#peak 3570) &rst ixpk= 3570, nxpk= 0, iat=1219,1273, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 85 ASP HB3 90 LYS HN 4.11 (#peak 3621) &rst ixpk= 3621, nxpk= 0, iat=1219,1291, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 85 ASP HB3 90 LYS HG2 5.22 (#peak 2113) &rst ixpk= 2113, nxpk= 0, iat=1219,1298, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 85 ASP HB3 90 LYS QB 5.90 (#peak 1279) &rst ixpk= 1279, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1295,1296, &end # # 86 PRO HA 124 TYR QD 4.44 (#peak 2083) &rst ixpk= 2083, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=1815,1824, &end # # 86 PRO HA 124 TYR QE 3.38 (#peak 2082) &rst ixpk= 2082, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1817,1822, &end # # 86 PRO HA 147 PRO HB2 4.79 (#peak 762) &rst ixpk= 762, nxpk= 0, iat=1236,2142, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 86 PRO HA 147 PRO HG2 5.11 (#peak 1356) &rst ixpk= 1356, nxpk= 0, iat=1236,2139, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 86 PRO HA 147 PRO HG3 4.62 (#peak 1339) &rst ixpk= 1339, nxpk= 0, iat=1236,2140, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 86 PRO HA 89 PHE HA 5.15 (#peak 4264) &rst ixpk= 4264, nxpk= 0, iat=1236,1273, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 86 PRO HA 89 PHE QD 3.57 (#peak 2091) &rst ixpk= 2091, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=1279,1287, &end # # 86 PRO HA 89 PHE QE 3.94 (#peak 2081) &rst ixpk= 2081, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=1281,1285, &end # # 86 PRO HB2 124 TYR QE 4.54 (#peak 3332) &rst ixpk= 3332, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1817,1822, &end # # 86 PRO HB2 89 PHE QD 5.70 (#peak 3331) &rst ixpk= 3331, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1279,1287, &end # # 86 PRO HB2 89 PHE QE 5.90 (#peak 3330) &rst ixpk= 3330, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1281,1285, &end # # 86 PRO HB3 124 TYR QE 4.59 (#peak 3416) &rst ixpk= 3416, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1817,1822, &end # # 86 PRO HB3 89 PHE QD 5.05 (#peak 98) &rst ixpk= 98, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1279,1287, &end # # 86 PRO HB3 89 PHE QE 5.18 (#peak 3422) &rst ixpk= 3422, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1281,1285, &end # # 86 PRO HD2 87 GLN HN 4.42 (#peak 1747) &rst ixpk= 1747, nxpk= 0, iat=1227,1240, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 86 PRO HD2 87 GLN HG3 4.39 (#peak 1751) &rst ixpk= 1751, nxpk= 0, iat=1227,1248, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 86 PRO HD2 88 THR HN 5.12 (#peak 1750) &rst ixpk= 1750, nxpk= 0, iat=1227,1257, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 86 PRO HD3 87 GLN HN 4.73 (#peak 1761) &rst ixpk= 1761, nxpk= 0, iat=1228,1240, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 86 PRO QD 124 TYR QE 4.61 (#peak 2612) &rst ixpk= 2612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1227,1228, igr2=1817,1822, &end # # 86 PRO QD 147 PRO HG3 5.90 (#peak 743) &rst ixpk= 743, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1227,1228, &end # # 86 PRO QG 87 GLN HN 4.17 (#peak 1570) &rst ixpk= 1570, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=1230,1231, &end # # 87 GLN HN 124 TYR QE 5.90 (#peak 1171) &rst ixpk= 1171, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1817,1822, &end # # 87 GLN HN 87 GLN HB2 3.15 (#peak 1151) &rst ixpk= 1151, nxpk= 0, iat=1240,1244, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 87 GLN HN 87 GLN HB3 3.70 (#peak 962) &rst ixpk= 962, nxpk= 0, iat=1240,1245, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 87 GLN HN 87 GLN HE21 4.61 (#peak 413) &rst ixpk= 413, nxpk= 0, iat=1240,1252, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 87 GLN HN 87 GLN HG2 3.64 (#peak 17) &rst ixpk= 17, nxpk= 0, iat=1240,1247, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 87 GLN HN 87 GLN HG3 3.63 (#peak 21) &rst ixpk= 21, nxpk= 0, iat=1240,1248, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 87 GLN HN 88 THR HN 3.40 (#peak 1142) &rst ixpk= 1142, nxpk= 0, iat=1240,1257, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 87 GLN HN 88 THR HA 5.18 (#peak 1146) &rst ixpk= 1146, nxpk= 0, iat=1240,1259, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 87 GLN HN 88 THR QG2 3.94 (#peak 1152) &rst ixpk= 1152, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1263,1264,1265, &end # # 87 GLN HN 89 PHE QD 5.38 (#peak 1056) &rst ixpk= 1056, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1279,1287, &end # # 87 GLN HN 89 PHE QE 5.59 (#peak 408) &rst ixpk= 408, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2=1281,1285, &end # # 87 GLN HA 87 GLN HB3 2.97 (#peak 239) &rst ixpk= 239, nxpk= 0, iat=1242,1245, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 87 GLN HA 87 GLN HE21 4.12 (#peak 150) &rst ixpk= 150, nxpk= 0, iat=1242,1252, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 87 GLN HA 87 GLN HE22 5.04 (#peak 2205) &rst ixpk= 2205, nxpk= 0, iat=1242,1253, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 87 GLN HA 87 GLN HG2 3.38 (#peak 3) &rst ixpk= 3, nxpk= 0, iat=1242,1247, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 87 GLN HA 87 GLN HG3 3.76 (#peak 23) &rst ixpk= 23, nxpk= 0, iat=1242,1248, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 87 GLN HA 88 THR QG2 4.77 (#peak 185) &rst ixpk= 185, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=1263,1264,1265, &end # # 87 GLN HA 89 PHE QD 4.83 (#peak 1063) &rst ixpk= 1063, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1279,1287, &end # # 87 GLN HA 89 PHE QE 5.52 (#peak 566) &rst ixpk= 566, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=1281,1285, &end # # 87 GLN HB2 88 THR HN 3.63 (#peak 1523) &rst ixpk= 1523, nxpk= 0, iat=1244,1257, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 87 GLN HB2 88 THR QG2 3.79 (#peak 3406) &rst ixpk= 3406, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1263,1264,1265, &end # # 87 GLN HB2 89 PHE HN 4.85 (#peak 971) &rst ixpk= 971, nxpk= 0, iat=1244,1271, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 87 GLN HB3 87 GLN HE22 4.53 (#peak 3433) &rst ixpk= 3433, nxpk= 0, iat=1245,1253, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 87 GLN HB3 87 GLN HG2 2.91 (#peak 18) &rst ixpk= 18, nxpk= 0, iat=1245,1247, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 87 GLN HB3 87 GLN HG3 3.00 (#peak 6) &rst ixpk= 6, nxpk= 0, iat=1245,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 87 GLN HB3 88 THR HN 3.80 (#peak 963) &rst ixpk= 963, nxpk= 0, iat=1245,1257, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 87 GLN HB3 88 THR HA 4.87 (#peak 4810) &rst ixpk= 4810, nxpk= 0, iat=1245,1259, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 87 GLN HB3 88 THR QG2 3.72 (#peak 965) &rst ixpk= 965, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1263,1264,1265, &end # # 87 GLN HE21 146 VAL QG1 4.20 (#peak 4198) &rst ixpk= 4198, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=2125,2126,2127, &end # # 87 GLN HG2 88 THR HN 4.33 (#peak 26) &rst ixpk= 26, nxpk= 0, iat=1247,1257, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 87 GLN HG2 88 THR QG2 5.08 (#peak 4100) &rst ixpk= 4100, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr2=1263,1264,1265, &end # # 87 GLN HG3 88 THR HN 4.73 (#peak 22) &rst ixpk= 22, nxpk= 0, iat=1248,1257, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 88 THR HN 88 THR HB 3.96 (#peak 1518) &rst ixpk= 1518, nxpk= 0, iat=1257,1261, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 88 THR HN 88 THR QG2 3.07 (#peak 3060) &rst ixpk= 3060, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=1263,1264,1265, &end # # 88 THR HN 89 PHE HN 3.71 (#peak 968) &rst ixpk= 968, nxpk= 0, iat=1257,1271, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 88 THR HN 89 PHE QD 4.91 (#peak 1515) &rst ixpk= 1515, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=1279,1287, &end # # 88 THR HN 90 LYS HN 4.63 (#peak 1514) &rst ixpk= 1514, nxpk= 0, iat=1257,1291, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 88 THR HA 88 THR QG2 2.81 (#peak 2469) &rst ixpk= 2469, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=1263,1264,1265, &end # # 88 THR HA 89 PHE QD 5.53 (#peak 1065) &rst ixpk= 1065, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=1279,1287, &end # # 88 THR HA 90 LYS HN 4.94 (#peak 1023) &rst ixpk= 1023, nxpk= 0, iat=1259,1291, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 88 THR HA 90 LYS QB 5.60 (#peak 113) &rst ixpk= 113, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1295,1296, &end # # 88 THR HB 89 PHE HN 4.79 (#peak 2521) &rst ixpk= 2521, nxpk= 0, iat=1261,1271, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 88 THR HB 90 LYS HN 4.47 (#peak 2567) &rst ixpk= 2567, nxpk= 0, iat=1261,1291, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 88 THR HB 90 LYS HG2 3.76 (#peak 2526) &rst ixpk= 2526, nxpk= 0, iat=1261,1298, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 88 THR HB 90 LYS QB 3.96 (#peak 2525) &rst ixpk= 2525, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=1295,1296, &end # # 88 THR QG2 89 PHE HN 3.72 (#peak 4095) &rst ixpk= 4095, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=1263,1264,1265, &end # # 88 THR QG2 90 LYS HN 4.43 (#peak 1009) &rst ixpk= 1009, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1263,1264,1265, &end # # 88 THR QG2 90 LYS HG2 3.97 (#peak 3062) &rst ixpk= 3062, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1263,1264,1265, &end # # 88 THR QG2 90 LYS QB 5.05 (#peak 139) &rst ixpk= 139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1263,1264,1265, igr2=1295,1296, &end # # 89 PHE HN 124 TYR QE 5.90 (#peak 972) &rst ixpk= 972, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1817,1822, &end # # 89 PHE HN 89 PHE QD 3.57 (#peak 457) &rst ixpk= 457, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=1279,1287, &end # # 89 PHE HN 90 LYS HN 3.80 (#peak 1019) &rst ixpk= 1019, nxpk= 0, iat=1271,1291, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 89 PHE HN 90 LYS QB 5.06 (#peak 989) &rst ixpk= 989, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1295,1296, &end # # 89 PHE HA 124 TYR QD 4.47 (#peak 1432) &rst ixpk= 1432, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=1815,1824, &end # # 89 PHE HA 124 TYR QE 5.13 (#peak 630) &rst ixpk= 630, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=1817,1822, &end # # 89 PHE HA 126 ILE QD1 4.12 (#peak 5473) &rst ixpk= 5473, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1856,1857,1858, &end # # 89 PHE HA 89 PHE QD 3.28 (#peak 2316) &rst ixpk= 2316, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1279,1287, &end # # 89 PHE HA 89 PHE QE 4.53 (#peak 65) &rst ixpk= 65, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1281,1285, &end # # 89 PHE HB2 124 TYR QD 5.01 (#peak 2781) &rst ixpk= 2781, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1815,1824, &end # # 89 PHE HB2 126 ILE QD1 4.95 (#peak 5472) &rst ixpk= 5472, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1856,1857,1858, &end # # 89 PHE HB3 124 TYR QD 5.02 (#peak 2824) &rst ixpk= 2824, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1815,1824, &end # # 89 PHE HB3 124 TYR QE 5.70 (#peak 2817) &rst ixpk= 2817, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1817,1822, &end # # 89 PHE HB3 126 ILE QD1 3.72 (#peak 119) &rst ixpk= 119, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1856,1857,1858, &end # # 89 PHE QD 124 TYR HA 5.90 (#peak 2240) &rst ixpk= 2240, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1279,1287, &end # # 89 PHE QD 124 TYR HB3 5.90 (#peak 3248) &rst ixpk= 3248, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1279,1287, &end # # 89 PHE QD 124 TYR QD 3.52 (#peak 1428) &rst ixpk= 1428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1279,1287, igr2=1815,1824, &end # # 89 PHE QD 124 TYR QE 3.40 (#peak 1359) &rst ixpk= 1359, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1=1279,1287, igr2=1817,1822, &end # # 89 PHE QD 125 GLU HB2 5.61 (#peak 3639) &rst ixpk= 3639, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1279,1287, &end # # 89 PHE QD 125 GLU HB3 4.39 (#peak 3746) &rst ixpk= 3746, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1=1279,1287, &end # # 89 PHE QD 126 ILE QD1 4.07 (#peak 4406) &rst ixpk= 4406, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1279,1287, igr2=1856,1857,1858, &end # # 89 PHE QD 145 ALA QB 4.64 (#peak 1071) &rst ixpk= 1071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr1=1279,1287, igr2=2113,2114,2115, &end # # 89 PHE QD 147 PRO HB2 5.72 (#peak 99) &rst ixpk= 99, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1=1279,1287, &end # # 89 PHE QD 147 PRO HD2 5.43 (#peak 757) &rst ixpk= 757, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=1279,1287, &end # # 89 PHE QD 147 PRO HD3 4.15 (#peak 2650) &rst ixpk= 2650, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1279,1287, &end # # 89 PHE QD 147 PRO HG2 5.70 (#peak 3508) &rst ixpk= 3508, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1279,1287, &end # # 89 PHE QD 147 PRO HG3 4.22 (#peak 3699) &rst ixpk= 3699, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=1279,1287, &end # # 89 PHE QD 90 LYS HN 5.05 (#peak 1021) &rst ixpk= 1021, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1279,1287, &end # # 89 PHE QE 124 TYR QD 3.82 (#peak 1427) &rst ixpk= 1427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1=1281,1285, igr2=1815,1824, &end # # 89 PHE QE 124 TYR QE 3.47 (#peak 1358) &rst ixpk= 1358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1=1281,1285, igr2=1817,1822, &end # # 89 PHE QE 125 GLU HB2 5.28 (#peak 3638) &rst ixpk= 3638, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=1281,1285, &end # # 89 PHE QE 125 GLU HB3 5.90 (#peak 1283) &rst ixpk= 1283, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1281,1285, &end # # 89 PHE QE 126 ILE QD1 4.87 (#peak 4399) &rst ixpk= 4399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1281,1285, igr2=1856,1857,1858, &end # # 89 PHE QE 145 ALA QB 4.35 (#peak 4058) &rst ixpk= 4058, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1281,1285, igr2=2113,2114,2115, &end # # 89 PHE QE 146 VAL QG1 4.92 (#peak 4180) &rst ixpk= 4180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1281,1285, igr2=2125,2126,2127, &end # # 89 PHE QE 147 PRO HB2 4.78 (#peak 995) &rst ixpk= 995, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1281,1285, &end # # 89 PHE QE 147 PRO HB3 4.37 (#peak 4262) &rst ixpk= 4262, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=1281,1285, &end # # 89 PHE QE 147 PRO HD2 4.39 (#peak 2592) &rst ixpk= 2592, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1=1281,1285, &end # # 89 PHE QE 147 PRO HD3 4.52 (#peak 2649) &rst ixpk= 2649, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=1281,1285, &end # # 89 PHE QE 147 PRO HG2 4.31 (#peak 3507) &rst ixpk= 3507, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=1281,1285, &end # # 89 PHE QE 147 PRO HG3 4.13 (#peak 3698) &rst ixpk= 3698, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=1281,1285, &end # # 90 LYS HN 90 LYS HG2 3.65 (#peak 1027) &rst ixpk= 1027, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 90 LYS HN 90 LYS QB 3.08 (#peak 1026) &rst ixpk= 1026, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=1295,1296, &end # # 90 LYS HN 91 LEU HN 4.60 (#peak 1018) &rst ixpk= 1018, nxpk= 0, iat=1291,1313, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 90 LYS HA 90 LYS QE 5.34 (#peak 361) &rst ixpk= 361, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1304,1305, &end # # 90 LYS HA 91 LEU HN 2.93 (#peak 408) &rst ixpk= 408, nxpk= 0, iat=1293,1313, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 90 LYS HA 91 LEU HG 5.52 (#peak 838) &rst ixpk= 838, nxpk= 0, iat=1293,1320, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 90 LYS HA 91 LEU QD1 5.64 (#peak 369) &rst ixpk= 369, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2=1322,1323,1324, &end # # 90 LYS HG2 90 LYS QE 3.40 (#peak 2123) &rst ixpk= 2123, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1304,1305, &end # # 90 LYS HG2 91 LEU HN 5.13 (#peak 2137) &rst ixpk= 2137, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 90 LYS QB 90 LYS QE 3.86 (#peak 114) &rst ixpk= 114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=1295,1296, igr2=1304,1305, &end # # 90 LYS QB 91 LEU HN 3.84 (#peak 111) &rst ixpk= 111, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1295,1296, &end # # 90 LYS QD 91 LEU HN 4.06 (#peak 1206) &rst ixpk= 1206, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=1301,1302, &end # # 90 LYS QE 91 LEU HN 5.28 (#peak 78) &rst ixpk= 78, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=1304,1305, &end # # 90 LYS QE 92 SER HA 4.47 (#peak 5196) &rst ixpk= 5196, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1=1304,1305, &end # # 90 LYS QE 93 GLY HN 5.28 (#peak 1126) &rst ixpk= 1126, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=1304,1305, &end # # 91 LEU HN 91 LEU HB2 3.91 (#peak 79) &rst ixpk= 79, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 91 LEU HN 91 LEU HB3 3.75 (#peak 3695) &rst ixpk= 3695, nxpk= 0, iat=1313,1318, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 91 LEU HN 91 LEU HG 4.12 (#peak 835) &rst ixpk= 835, nxpk= 0, iat=1313,1320, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 91 LEU HN 91 LEU QD1 4.09 (#peak 308) &rst ixpk= 308, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1322,1323,1324, &end # # 91 LEU HN 91 LEU QD2 4.28 (#peak 82) &rst ixpk= 82, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1326,1327,1328, &end # # 91 LEU HN 92 SER HN 4.78 (#peak 1122) &rst ixpk= 1122, nxpk= 0, iat=1313,1332, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 91 LEU HN 93 GLY HN 4.86 (#peak 75) &rst ixpk= 75, nxpk= 0, iat=1313,1343, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 91 LEU HA 91 LEU HG 3.28 (#peak 649) &rst ixpk= 649, nxpk= 0, iat=1315,1320, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 91 LEU HA 91 LEU QD1 3.90 (#peak 650) &rst ixpk= 650, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1322,1323,1324, &end # # 91 LEU HA 92 SER HN 3.17 (#peak 645) &rst ixpk= 645, nxpk= 0, iat=1315,1332, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 91 LEU HA 92 SER HA 4.55 (#peak 639) &rst ixpk= 639, nxpk= 0, iat=1315,1334, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 91 LEU HA 93 GLY HN 3.97 (#peak 1478) &rst ixpk= 1478, nxpk= 0, iat=1315,1343, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 91 LEU HB2 91 LEU QD1 3.24 (#peak 3410) &rst ixpk= 3410, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1322,1323,1324, &end # # 91 LEU HB2 92 SER HN 4.13 (#peak 1130) &rst ixpk= 1130, nxpk= 0, iat=1317,1332, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 91 LEU HB2 93 GLY HN 3.45 (#peak 1481) &rst ixpk= 1481, nxpk= 0, iat=1317,1343, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 91 LEU HB2 93 GLY HA2 5.30 (#peak 3405) &rst ixpk= 3405, nxpk= 0, iat=1317,1345, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 91 LEU HB3 91 LEU QD1 3.49 (#peak 3437) &rst ixpk= 3437, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1322,1323,1324, &end # # 91 LEU HB3 92 SER HN 3.83 (#peak 1131) &rst ixpk= 1131, nxpk= 0, iat=1318,1332, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 91 LEU HB3 93 GLY HN 3.43 (#peak 1482) &rst ixpk= 1482, nxpk= 0, iat=1318,1343, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 91 LEU HG 92 SER HN 4.98 (#peak 834) &rst ixpk= 834, nxpk= 0, iat=1320,1332, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 91 LEU HG 93 GLY HN 5.24 (#peak 815) &rst ixpk= 815, nxpk= 0, iat=1320,1343, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 91 LEU QD1 93 GLY HN 4.59 (#peak 4316) &rst ixpk= 4316, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1322,1323,1324, &end # # 91 LEU QD1 94 ALA HA 4.11 (#peak 1397) &rst ixpk= 1397, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1322,1323,1324, &end # # 91 LEU QD1 95 MET HN 4.13 (#peak 626) &rst ixpk= 626, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1=1322,1323,1324, &end # # 91 LEU QD1 95 MET HA 3.46 (#peak 1267) &rst ixpk= 1267, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=1322,1323,1324, &end # # 91 LEU QD1 95 MET HB2 4.86 (#peak 594) &rst ixpk= 594, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1322,1323,1324, &end # # 91 LEU QD1 95 MET QE 2.40 (#peak 4097) &rst ixpk= 4097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1=1322,1323,1324, igr2=1371,1372,1373, &end # # 91 LEU QD1 95 MET QG 3.97 (#peak 606) &rst ixpk= 606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=1322,1323,1324, igr2=1367,1368, &end # # 91 LEU QD1 96 PRO HD3 4.03 (#peak 4324) &rst ixpk= 4324, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=1322,1323,1324, &end # # 91 LEU QD2 92 SER HN 4.71 (#peak 2291) &rst ixpk= 2291, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1326,1327,1328, &end # # 91 LEU QD2 95 MET QE 3.49 (#peak 2294) &rst ixpk= 2294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=1326,1327,1328, igr2=1371,1372,1373, &end # # 91 LEU QD2 96 PRO HD3 4.07 (#peak 2231) &rst ixpk= 2231, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=1326,1327,1328, &end # # 92 SER HN 92 SER HB2 4.12 (#peak 4437) &rst ixpk= 4437, nxpk= 0, iat=1332,1336, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 92 SER HN 92 SER HB3 3.72 (#peak 1127) &rst ixpk= 1127, nxpk= 0, iat=1332,1337, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 92 SER HN 93 GLY HN 3.79 (#peak 1475) &rst ixpk= 1475, nxpk= 0, iat=1332,1343, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 93 GLY HN 94 ALA HN 4.56 (#peak 1477) &rst ixpk= 1477, nxpk= 0, iat=1343,1350, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 93 GLY HA2 94 ALA QB 4.84 (#peak 3404) &rst ixpk= 3404, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1354,1355,1356, &end # # 93 GLY HA3 94 ALA HN 3.44 (#peak 578) &rst ixpk= 578, nxpk= 0, iat=1346,1350, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 93 GLY HA3 94 ALA QB 4.90 (#peak 2607) &rst ixpk= 2607, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=1354,1355,1356, &end # # 94 ALA HN 94 ALA QB 3.01 (#peak 579) &rst ixpk= 579, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=1354,1355,1356, &end # # 94 ALA HN 95 MET HN 5.07 (#peak 621) &rst ixpk= 621, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 94 ALA HA 95 MET HN 3.04 (#peak 1391) &rst ixpk= 1391, nxpk= 0, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 94 ALA HA 95 MET HB2 4.60 (#peak 1395) &rst ixpk= 1395, nxpk= 0, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 94 ALA QB 95 MET HN 3.12 (#peak 3715) &rst ixpk= 3715, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=1354,1355,1356, &end # # 94 ALA QB 95 MET HA 4.62 (#peak 1266) &rst ixpk= 1266, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=1354,1355,1356, &end # # 94 ALA QB 95 MET HB3 5.08 (#peak 3479) &rst ixpk= 3479, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1=1354,1355,1356, &end # # 95 MET HN 95 MET HB2 3.51 (#peak 624) &rst ixpk= 624, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 95 MET HN 95 MET HB3 3.54 (#peak 619) &rst ixpk= 619, nxpk= 0, iat=1360,1365, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 95 MET HN 95 MET QE 4.88 (#peak 4121) &rst ixpk= 4121, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1371,1372,1373, &end # # 95 MET HN 95 MET QG 4.16 (#peak 380) &rst ixpk= 380, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1367,1368, &end # # 95 MET HN 96 PRO HD3 5.04 (#peak 623) &rst ixpk= 623, nxpk= 0, iat=1360,1379, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 95 MET HA 95 MET QE 3.68 (#peak 4092) &rst ixpk= 4092, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=1371,1372,1373, &end # # 95 MET HA 95 MET QG 3.67 (#peak 3254) &rst ixpk= 3254, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1367,1368, &end # # 95 MET HA 96 PRO HD2 3.46 (#peak 1621) &rst ixpk= 1621, nxpk= 0, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 95 MET HA 96 PRO HD3 3.18 (#peak 2275) &rst ixpk= 2275, nxpk= 0, iat=1362,1379, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 95 MET HB3 96 PRO HD3 5.01 (#peak 623) &rst ixpk= 623, nxpk= 0, iat=1365,1379, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 95 MET QE 96 PRO HD2 4.70 (#peak 1206) &rst ixpk= 1206, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=1371,1372,1373, &end # # 95 MET QG 95 MET QE 2.65 (#peak 4093) &rst ixpk= 4093, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr1=1367,1368, igr2=1371,1372,1373, &end # # 95 MET QG 96 PRO HD2 4.95 (#peak 1624) &rst ixpk= 1624, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1367,1368, &end # # 95 MET QG 96 PRO HD3 4.38 (#peak 1633) &rst ixpk= 1633, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=1367,1368, &end # # 96 PRO HA 99 ALA HN 5.22 (#peak 2185) &rst ixpk= 2185, nxpk= 0, iat=1387,1415, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 96 PRO HD3 99 ALA QB 4.06 (#peak 1636) &rst ixpk= 1636, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=1419,1420,1421, &end # # 96 PRO HG2 99 ALA HN 4.88 (#peak 730) &rst ixpk= 730, nxpk= 0, iat=1381,1415, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 96 PRO HG3 99 ALA HN 4.35 (#peak 3670) &rst ixpk= 3670, nxpk= 0, iat=1382,1415, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 96 PRO HG3 99 ALA QB 4.36 (#peak 1427) &rst ixpk= 1427, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1419,1420,1421, &end # # 96 PRO QB 101 LYS HD3 5.00 (#peak 1187) &rst ixpk= 1187, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1384,1385, &end # # 96 PRO QB 99 ALA HN 4.28 (#peak 729) &rst ixpk= 729, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1384,1385, &end # # 96 PRO QB 99 ALA HA 5.90 (#peak 1042) &rst ixpk= 1042, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1384,1385, &end # # 96 PRO QB 99 ALA QB 3.99 (#peak 252) &rst ixpk= 252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1384,1385, igr2=1419,1420,1421, &end # # 97 ALA HN 98 THR QG2 4.64 (#peak 2722) &rst ixpk= 2722, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1407,1408,1409, &end # # 97 ALA HA 98 THR QG2 4.52 (#peak 2799) &rst ixpk= 2799, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1407,1408,1409, &end # # 97 ALA HA 99 ALA HN 4.69 (#peak 1240) &rst ixpk= 1240, nxpk= 0, iat=1393,1415, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 97 ALA QB 98 THR HN 4.45 (#peak 897) &rst ixpk= 897, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1395,1396,1397, &end # # 97 ALA QB 98 THR HA 4.50 (#peak 5066) &rst ixpk= 5066, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1395,1396,1397, &end # # 97 ALA QB 98 THR QG2 3.10 (#peak 3653) &rst ixpk= 3653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=1395,1396,1397, igr2=1407,1408,1409, &end # # 97 ALA QB 99 ALA HN 4.23 (#peak 732) &rst ixpk= 732, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1395,1396,1397, &end # # 98 THR HN 98 THR QG2 3.86 (#peak 2724) &rst ixpk= 2724, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1407,1408,1409, &end # # 98 THR HN 99 ALA HN 4.56 (#peak 722) &rst ixpk= 722, nxpk= 0, iat=1401,1415, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 98 THR HA 98 THR QG2 2.75 (#peak 2112) &rst ixpk= 2112, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2=1407,1408,1409, &end # # 98 THR HB 99 ALA HN 5.32 (#peak 1997) &rst ixpk= 1997, nxpk= 0, iat=1405,1415, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 98 THR QG2 99 ALA HN 4.35 (#peak 2798) &rst ixpk= 2798, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1407,1408,1409, &end # # 99 ALA HN 101 LYS QE 4.32 (#peak 2878) &rst ixpk= 2878, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1455,1456, &end # # 99 ALA HN 99 ALA QB 2.82 (#peak 2789) &rst ixpk= 2789, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr2=1419,1420,1421, &end # # 99 ALA HA 100 MET HN 3.20 (#peak 1302) &rst ixpk= 1302, nxpk= 0, iat=1417,1425, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 99 ALA HA 101 LYS HN 5.79 (#peak 358) &rst ixpk= 358, nxpk= 0, iat=1417,1442, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 99 ALA HA 101 LYS QE 5.74 (#peak 2634) &rst ixpk= 2634, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2=1455,1456, &end # # 99 ALA QB 100 MET HN 3.27 (#peak 2754) &rst ixpk= 2754, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1419,1420,1421, &end # # 99 ALA QB 101 LYS QE 3.86 (#peak 2791) &rst ixpk= 2791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=1419,1420,1421, igr2=1455,1456, &end # # 100 MET HN 100 MET HB2 4.00 (#peak 682) &rst ixpk= 682, nxpk= 0, iat=1425,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 100 MET HN 100 MET HB3 3.89 (#peak 691) &rst ixpk= 691, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 100 MET HN 100 MET HG2 4.70 (#peak 205) &rst ixpk= 205, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 100 MET HN 100 MET HG3 4.53 (#peak 224) &rst ixpk= 224, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 100 MET HN 100 MET QE 5.90 (#peak 5433) &rst ixpk= 5433, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1436,1437,1438, &end # # 100 MET HN 101 LYS HN 4.23 (#peak 352) &rst ixpk= 352, nxpk= 0, iat=1425,1442, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 100 MET HA 100 MET HG2 3.83 (#peak 211) &rst ixpk= 211, nxpk= 0, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 100 MET HA 100 MET HG3 3.77 (#peak 228) &rst ixpk= 228, nxpk= 0, iat=1427,1433, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 100 MET HA 100 MET QE 4.61 (#peak 2078) &rst ixpk= 2078, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=1436,1437,1438, &end # # 100 MET HA 101 LYS HN 3.07 (#peak 501) &rst ixpk= 501, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 100 MET HA 101 LYS HA 4.89 (#peak 502) &rst ixpk= 502, nxpk= 0, iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 100 MET HA 101 LYS HG2 4.77 (#peak 449) &rst ixpk= 449, nxpk= 0, iat=1427,1449, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 100 MET HA 111 PHE QD 5.04 (#peak 479) &rst ixpk= 479, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1606,1614, &end # # 100 MET HA 111 PHE QE 4.73 (#peak 480) &rst ixpk= 480, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1608,1612, &end # # 100 MET HB2 100 MET QE 4.87 (#peak 688) &rst ixpk= 688, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1436,1437,1438, &end # # 100 MET HB2 101 LYS HN 4.84 (#peak 845) &rst ixpk= 845, nxpk= 0, iat=1429,1442, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 100 MET HB2 116 LEU QD2 5.27 (#peak 3466) &rst ixpk= 3466, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2=1683,1684,1685, &end # # 100 MET HB3 100 MET QE 5.90 (#peak 5404) &rst ixpk= 5404, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1436,1437,1438, &end # # 100 MET HB3 101 LYS HN 4.84 (#peak 692) &rst ixpk= 692, nxpk= 0, iat=1430,1442, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 100 MET HG2 101 LYS HN 5.54 (#peak 206) &rst ixpk= 206, nxpk= 0, iat=1432,1442, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end # # 100 MET HG2 111 PHE QD 4.02 (#peak 208) &rst ixpk= 208, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=1606,1614, &end # # 100 MET HG2 111 PHE QE 4.62 (#peak 36) &rst ixpk= 36, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=1608,1612, &end # # 100 MET HG3 100 MET QE 3.43 (#peak 230) &rst ixpk= 230, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1436,1437,1438, &end # # 100 MET HG3 111 PHE QD 4.44 (#peak 3550) &rst ixpk= 3550, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=1606,1614, &end # # 100 MET HG3 111 PHE QE 5.79 (#peak 1190) &rst ixpk= 1190, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1608,1612, &end # # 100 MET HG3 116 LEU QD2 5.90 (#peak 1781) &rst ixpk= 1781, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1683,1684,1685, &end # # 100 MET QE 111 PHE HN 4.83 (#peak 117) &rst ixpk= 117, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1436,1437,1438, &end # # 100 MET QE 111 PHE HA 3.00 (#peak 5421) &rst ixpk= 5421, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1436,1437,1438, &end # # 100 MET QE 111 PHE HB2 3.44 (#peak 5418) &rst ixpk= 5418, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1=1436,1437,1438, &end # # 100 MET QE 111 PHE HB3 3.28 (#peak 3382) &rst ixpk= 3382, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=1436,1437,1438, &end # # 100 MET QE 111 PHE QD 3.57 (#peak 1181) &rst ixpk= 1181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1=1436,1437,1438, igr2=1606,1614, &end # # 100 MET QE 111 PHE QE 4.16 (#peak 4558) &rst ixpk= 4558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1436,1437,1438, igr2=1608,1612, &end # # 100 MET QE 112 ASN HN 4.74 (#peak 667) &rst ixpk= 667, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1436,1437,1438, &end # # 100 MET QE 112 ASN HB3 4.84 (#peak 3103) &rst ixpk= 3103, nxpk= 0, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1436,1437,1438, &end # # 100 MET QE 113 THR HA 3.78 (#peak 5419) &rst ixpk= 5419, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=1436,1437,1438, &end # # 100 MET QE 116 LEU QD2 3.52 (#peak 4766) &rst ixpk= 4766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1436,1437,1438, igr2=1683,1684,1685, &end # # 101 LYS HN 101 LYS HD2 5.04 (#peak 1045) &rst ixpk= 1045, nxpk= 0, iat=1442,1452, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 101 LYS HN 101 LYS HD3 4.20 (#peak 361) &rst ixpk= 361, nxpk= 0, iat=1442,1453, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 101 LYS HN 101 LYS HG2 3.83 (#peak 2400) &rst ixpk= 2400, nxpk= 0, iat=1442,1449, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 101 LYS HN 101 LYS HG3 4.07 (#peak 362) &rst ixpk= 362, nxpk= 0, iat=1442,1450, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 101 LYS HN 101 LYS QE 4.65 (#peak 3610) &rst ixpk= 3610, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1455,1456, &end # # 101 LYS HN 102 LYS HN 5.35 (#peak 403) &rst ixpk= 403, nxpk= 0, iat=1442,1464, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 101 LYS HN 111 PHE QE 5.20 (#peak 353) &rst ixpk= 353, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1608,1612, &end # # 101 LYS HA 102 LYS HN 3.40 (#peak 1190) &rst ixpk= 1190, nxpk= 0, iat=1444,1464, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 101 LYS HA 102 LYS HA 5.56 (#peak 1558) &rst ixpk= 1558, nxpk= 0, iat=1444,1466, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 101 LYS HA 102 LYS HB2 5.60 (#peak 3988) &rst ixpk= 3988, nxpk= 0, iat=1444,1468, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 101 LYS HA 111 PHE QE 4.55 (#peak 1128) &rst ixpk= 1128, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1608,1612, &end # # 101 LYS HB2 101 LYS HD2 3.61 (#peak 1114) &rst ixpk= 1114, nxpk= 0, iat=1446,1452, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 101 LYS HB2 101 LYS HD3 3.92 (#peak 1051) &rst ixpk= 1051, nxpk= 0, iat=1446,1453, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 101 LYS HB2 101 LYS QE 4.55 (#peak 5201) &rst ixpk= 5201, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1455,1456, &end # # 101 LYS HB2 102 LYS HN 4.27 (#peak 408) &rst ixpk= 408, nxpk= 0, iat=1446,1464, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 101 LYS HB3 101 LYS HD3 2.66 (#peak 5208) &rst ixpk= 5208, nxpk= 0, iat=1447,1453, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 101 LYS HB3 102 LYS HN 4.52 (#peak 410) &rst ixpk= 410, nxpk= 0, iat=1447,1464, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 101 LYS HD3 101 LYS QE 2.74 (#peak 3555) &rst ixpk= 3555, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, igr2=1455,1456, &end # # 101 LYS HG2 101 LYS QE 3.69 (#peak 2402) &rst ixpk= 2402, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1455,1456, &end # # 101 LYS HG2 102 LYS HN 5.24 (#peak 2399) &rst ixpk= 2399, nxpk= 0, iat=1449,1464, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 101 LYS HG3 101 LYS QE 3.73 (#peak 2408) &rst ixpk= 2408, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1455,1456, &end # # 101 LYS HG3 102 LYS HN 4.77 (#peak 2381) &rst ixpk= 2381, nxpk= 0, iat=1450,1464, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 101 LYS HG3 102 LYS HA 5.04 (#peak 2380) &rst ixpk= 2380, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 102 LYS HN 102 LYS HB3 4.01 (#peak 4152) &rst ixpk= 4152, nxpk= 0, iat=1464,1469, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 102 LYS HN 102 LYS QG 4.80 (#peak 2183) &rst ixpk= 2183, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1471,1472, &end # # 102 LYS HN 103 LEU HN 5.00 (#peak 479) &rst ixpk= 479, nxpk= 0, iat=1464,1486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 LYS HN 109 ALA QB 5.18 (#peak 134) &rst ixpk= 134, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=1570,1571,1572, &end # # 102 LYS HN 63 PHE O 2.4 &rst ixpk= 134, nxpk= 0, iat=1464, 895, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 102 LYS HA 102 LYS QD 4.65 (#peak 1288) &rst ixpk= 1288, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1474,1475, &end # # 102 LYS HA 102 LYS QE 5.00 (#peak 349) &rst ixpk= 349, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1477,1478, &end # # 102 LYS HA 102 LYS QG 2.98 (#peak 351) &rst ixpk= 351, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=1471,1472, &end # # 102 LYS HA 103 LEU HN 3.01 (#peak 350) &rst ixpk= 350, nxpk= 0, iat=1466,1486, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 102 LYS HA 103 LEU HA 5.24 (#peak 1091) &rst ixpk= 1091, nxpk= 0, iat=1466,1488, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 102 LYS HA 103 LEU HB2 4.70 (#peak 3241) &rst ixpk= 3241, nxpk= 0, iat=1466,1490, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 102 LYS HA 103 LEU HG 4.51 (#peak 1895) &rst ixpk= 1895, nxpk= 0, iat=1466,1493, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 102 LYS HA 109 ALA QB 5.32 (#peak 3483) &rst ixpk= 3483, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=1570,1571,1572, &end # # 102 LYS HB2 102 LYS QE 4.59 (#peak 4883) &rst ixpk= 4883, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1477,1478, &end # # 102 LYS HB2 103 LEU HN 4.60 (#peak 4882) &rst ixpk= 4882, nxpk= 0, iat=1468,1486, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 102 LYS HB3 102 LYS QD 2.91 (#peak 4050) &rst ixpk= 4050, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=1474,1475, &end # # 102 LYS HB3 102 LYS QE 4.26 (#peak 4886) &rst ixpk= 4886, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1477,1478, &end # # 102 LYS HB3 103 LEU HN 4.37 (#peak 4887) &rst ixpk= 4887, nxpk= 0, iat=1469,1486, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 102 LYS N 63 PHE O 3.3 &rst ixpk= 4887, nxpk= 0, iat=1463, 895, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 102 LYS QD 102 LYS QE 2.48 (#peak 3865) &rst ixpk= 3865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr1=1474,1475, igr2=1477,1478, &end # # 102 LYS QD 103 LEU HN 4.24 (#peak 1289) &rst ixpk= 1289, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1474,1475, &end # # 102 LYS QD 109 ALA HA 3.98 (#peak 1885) &rst ixpk= 1885, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=1474,1475, &end # # 102 LYS QD 109 ALA QB 2.98 (#peak 3457) &rst ixpk= 3457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1474,1475, igr2=1570,1571,1572, &end # # 102 LYS QD 110 LYS HN 4.35 (#peak 4004) &rst ixpk= 4004, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=1474,1475, &end # # 102 LYS QD 110 LYS HB3 5.57 (#peak 1255) &rst ixpk= 1255, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr1=1474,1475, &end # # 102 LYS QD 111 PHE QE 4.33 (#peak 38) &rst ixpk= 38, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1474,1475, igr2=1608,1612, &end # # 102 LYS QE 103 LEU HN 4.89 (#peak 2955) &rst ixpk= 2955, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1477,1478, &end # # 102 LYS QE 104 THR HA 5.53 (#peak 2948) &rst ixpk= 2948, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=1477,1478, &end # # 102 LYS QE 105 GLU HN 5.90 (#peak 315) &rst ixpk= 315, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1477,1478, &end # # 102 LYS QE 109 ALA HA 3.13 (#peak 2126) &rst ixpk= 2126, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr1=1477,1478, &end # # 102 LYS QE 109 ALA QB 5.45 (#peak 2970) &rst ixpk= 2970, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1=1477,1478, igr2=1570,1571,1572, &end # # 102 LYS QE 110 LYS HN 5.32 (#peak 295) &rst ixpk= 295, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=1477,1478, &end # # 102 LYS QE 111 PHE HZ 5.90 (#peak 1525) &rst ixpk= 1525, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1477,1478, &end # # 102 LYS QG 102 LYS QE 3.19 (#peak 2207) &rst ixpk= 2207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1471,1472, igr2=1477,1478, &end # # 102 LYS QG 103 LEU HN 3.57 (#peak 2184) &rst ixpk= 2184, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1=1471,1472, &end # # 102 LYS QG 111 PHE QD 5.90 (#peak 4075) &rst ixpk= 4075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1=1471,1472, igr2=1606,1614, &end # # 102 LYS QG 111 PHE QE 5.12 (#peak 2185) &rst ixpk= 2185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1=1471,1472, igr2=1608,1612, &end # # 103 LEU HN 103 LEU HB2 3.39 (#peak 482) &rst ixpk= 482, nxpk= 0, iat=1486,1490, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 103 LEU HN 103 LEU HB3 3.70 (#peak 483) &rst ixpk= 483, nxpk= 0, iat=1486,1491, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 103 LEU HN 103 LEU HG 3.64 (#peak 484) &rst ixpk= 484, nxpk= 0, iat=1486,1493, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 103 LEU HN 103 LEU QQD 3.54 (#peak 2285) &rst ixpk= 2285, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1499,1500,1501,1495,1496,1497, &end # # 103 LEU HN 104 THR HN 5.05 (#peak 478) &rst ixpk= 478, nxpk= 0, iat=1486,1505, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 103 LEU HA 103 LEU HG 4.26 (#peak 1894) &rst ixpk= 1894, nxpk= 0, iat=1488,1493, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 103 LEU HA 103 LEU QQD 3.00 (#peak 2308) &rst ixpk= 2308, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=1499,1500,1501,1495,1496,1497, &end # # 103 LEU HA 104 THR HN 3.36 (#peak 1063) &rst ixpk= 1063, nxpk= 0, iat=1488,1505, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 103 LEU HA 111 PHE HZ 5.90 (#peak 473) &rst ixpk= 473, nxpk= 0, iat=1488,1610, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 103 LEU HB2 104 THR HN 4.67 (#peak 3707) &rst ixpk= 3707, nxpk= 0, iat=1490,1505, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 103 LEU HB3 103 LEU QQD 3.26 (#peak 2289) &rst ixpk= 2289, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1499,1500,1501,1495,1496,1497, &end # # 103 LEU HB3 104 THR HN 4.35 (#peak 1366) &rst ixpk= 1366, nxpk= 0, iat=1491,1505, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 103 LEU QQD 104 THR HN 4.14 (#peak 2305) &rst ixpk= 2305, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=1499,1500,1501,1495,1496,1497, &end # # 104 THR HN 104 THR HG1 5.61 (#peak 4866) &rst ixpk= 4866, nxpk= 0, iat=1505,1515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 104 THR HN 104 THR QG2 3.53 (#peak 2047) &rst ixpk= 2047, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1511,1512,1513, &end # # 104 THR HN 105 GLU HN 5.41 (#peak 308) &rst ixpk= 308, nxpk= 0, iat=1505,1519, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 104 THR HN 109 ALA QB 3.98 (#peak 3449) &rst ixpk= 3449, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1570,1571,1572, &end # # 104 THR HA 104 THR QG2 3.21 (#peak 2054) &rst ixpk= 2054, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=1511,1512,1513, &end # # 104 THR HA 105 GLU HN 3.30 (#peak 4513) &rst ixpk= 4513, nxpk= 0, iat=1507,1519, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 104 THR HA 105 GLU HB3 5.81 (#peak 2682) &rst ixpk= 2682, nxpk= 0, iat=1507,1524, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end # # 104 THR HA 105 GLU HG2 4.68 (#peak 2671) &rst ixpk= 2671, nxpk= 0, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 104 THR HA 105 GLU HG3 4.88 (#peak 2672) &rst ixpk= 2672, nxpk= 0, iat=1507,1527, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 104 THR HA 108 GLY HN 5.00 (#peak 4528) &rst ixpk= 4528, nxpk= 0, iat=1507,1559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 104 THR HA 109 ALA HN 4.76 (#peak 2668) &rst ixpk= 2668, nxpk= 0, iat=1507,1566, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 104 THR HA 109 ALA HA 3.86 (#peak 1883) &rst ixpk= 1883, nxpk= 0, iat=1507,1568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 104 THR HA 109 ALA QB 3.15 (#peak 3454) &rst ixpk= 3454, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=1570,1571,1572, &end # # 104 THR HB 105 GLU HN 4.15 (#peak 2746) &rst ixpk= 2746, nxpk= 0, iat=1509,1519, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 104 THR HB 108 GLY HN 4.72 (#peak 1563) &rst ixpk= 1563, nxpk= 0, iat=1509,1559, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 104 THR HB 108 GLY HA2 4.09 (#peak 2394) &rst ixpk= 2394, nxpk= 0, iat=1509,1561, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 104 THR HB 108 GLY HA3 5.16 (#peak 3302) &rst ixpk= 3302, nxpk= 0, iat=1509,1562, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 104 THR HB 109 ALA HN 5.09 (#peak 1850) &rst ixpk= 1850, nxpk= 0, iat=1509,1566, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 104 THR HB 109 ALA QB 4.37 (#peak 3452) &rst ixpk= 3452, nxpk= 0, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1570,1571,1572, &end # # 104 THR HG1 105 GLU HN 5.90 (#peak 4863) &rst ixpk= 4863, nxpk= 0, iat=1515,1519, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 104 THR HG1 109 ALA QB 5.90 (#peak 4872) &rst ixpk= 4872, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1570,1571,1572, &end # # 104 THR QG2 104 THR HG1 3.88 (#peak 4868) &rst ixpk= 4868, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1511,1512,1513, &end # # 104 THR QG2 105 GLU HN 3.95 (#peak 2050) &rst ixpk= 2050, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=1511,1512,1513, &end # # 104 THR QG2 108 GLY HN 5.14 (#peak 1112) &rst ixpk= 1112, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1511,1512,1513, &end # # 104 THR QG2 108 GLY HA2 4.40 (#peak 3296) &rst ixpk= 3296, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=1511,1512,1513, &end # # 104 THR QG2 108 GLY HA3 4.38 (#peak 3304) &rst ixpk= 3304, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1=1511,1512,1513, &end # # 104 THR QG2 109 ALA HN 3.40 (#peak 2048) &rst ixpk= 2048, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1=1511,1512,1513, &end # # 104 THR QG2 109 ALA HA 4.43 (#peak 1909) &rst ixpk= 1909, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1511,1512,1513, &end # # 104 THR QG2 109 ALA QB 2.91 (#peak 2056) &rst ixpk= 2056, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1511,1512,1513, igr2=1570,1571,1572, &end # # 105 GLU HN 105 GLU HB3 3.98 (#peak 317) &rst ixpk= 317, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 105 GLU HN 105 GLU HG2 3.91 (#peak 316) &rst ixpk= 316, nxpk= 0, iat=1519,1526, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 105 GLU HN 105 GLU HG3 4.08 (#peak 4878) &rst ixpk= 4878, nxpk= 0, iat=1519,1527, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 105 GLU HN 106 ALA HN 4.85 (#peak 289) &rst ixpk= 289, nxpk= 0, iat=1519,1534, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 105 GLU HN 107 GLU HN 5.11 (#peak 1411) &rst ixpk= 1411, nxpk= 0, iat=1519,1544, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 105 GLU HN 108 GLY HN 4.73 (#peak 1036) &rst ixpk= 1036, nxpk= 0, iat=1519,1559, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 105 GLU HN 108 GLY HA3 5.90 (#peak 2641) &rst ixpk= 2641, nxpk= 0, iat=1519,1562, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 105 GLU HN 109 ALA HN 4.76 (#peak 186) &rst ixpk= 186, nxpk= 0, iat=1519,1566, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 105 GLU HN 109 ALA HA 4.43 (#peak 1908) &rst ixpk= 1908, nxpk= 0, iat=1519,1568, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 105 GLU HN 109 ALA QB 3.88 (#peak 1033) &rst ixpk= 1033, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1570,1571,1572, &end # # 105 GLU HA 105 GLU HG2 4.19 (#peak 4874) &rst ixpk= 4874, nxpk= 0, iat=1521,1526, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 105 GLU HA 105 GLU HG3 3.72 (#peak 2054) &rst ixpk= 2054, nxpk= 0, iat=1521,1527, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 105 GLU HA 107 GLU HN 5.70 (#peak 2047) &rst ixpk= 2047, nxpk= 0, iat=1521,1544, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 105 GLU HB2 106 ALA HN 3.66 (#peak 852) &rst ixpk= 852, nxpk= 0, iat=1523,1534, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 105 GLU HB2 106 ALA HA 5.39 (#peak 3211) &rst ixpk= 3211, nxpk= 0, iat=1523,1536, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 105 GLU HB2 106 ALA QB 3.79 (#peak 3804) &rst ixpk= 3804, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1538,1539,1540, &end # # 105 GLU HB2 107 GLU HN 4.44 (#peak 1622) &rst ixpk= 1622, nxpk= 0, iat=1523,1544, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 105 GLU HB2 108 GLY HN 5.90 (#peak 3218) &rst ixpk= 3218, nxpk= 0, iat=1523,1559, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 105 GLU HB3 105 GLU HG2 2.88 (#peak 3242) &rst ixpk= 3242, nxpk= 0, iat=1524,1526, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 105 GLU HB3 106 ALA HN 3.94 (#peak 3475) &rst ixpk= 3475, nxpk= 0, iat=1524,1534, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 105 GLU HB3 106 ALA QB 5.25 (#peak 812) &rst ixpk= 812, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=1538,1539,1540, &end # # 105 GLU HB3 107 GLU HN 5.53 (#peak 857) &rst ixpk= 857, nxpk= 0, iat=1524,1544, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 105 GLU HG2 106 ALA HN 4.56 (#peak 4865) &rst ixpk= 4865, nxpk= 0, iat=1526,1534, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 105 GLU HG2 107 GLU HN 4.66 (#peak 1419) &rst ixpk= 1419, nxpk= 0, iat=1526,1544, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 105 GLU HG2 108 GLY HN 5.07 (#peak 3252) &rst ixpk= 3252, nxpk= 0, iat=1526,1559, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 105 GLU HG2 109 ALA HN 5.90 (#peak 339) &rst ixpk= 339, nxpk= 0, iat=1526,1566, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 105 GLU HG3 106 ALA HN 4.19 (#peak 4898) &rst ixpk= 4898, nxpk= 0, iat=1527,1534, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 105 GLU HG3 106 ALA HA 5.00 (#peak 3320) &rst ixpk= 3320, nxpk= 0, iat=1527,1536, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 105 GLU HG3 107 GLU HN 5.22 (#peak 4902) &rst ixpk= 4902, nxpk= 0, iat=1527,1544, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 105 GLU HG3 108 GLY HN 5.30 (#peak 3319) &rst ixpk= 3319, nxpk= 0, iat=1527,1559, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 106 ALA HN 106 ALA QB 2.85 (#peak 3801) &rst ixpk= 3801, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=1538,1539,1540, &end # # 106 ALA HN 107 GLU HN 3.95 (#peak 1414) &rst ixpk= 1414, nxpk= 0, iat=1534,1544, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 106 ALA HN 108 GLY HN 5.24 (#peak 1561) &rst ixpk= 1561, nxpk= 0, iat=1534,1559, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 106 ALA HA 107 GLU HA 4.83 (#peak 729) &rst ixpk= 729, nxpk= 0, iat=1536,1546, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 106 ALA HA 108 GLY HN 4.91 (#peak 1107) &rst ixpk= 1107, nxpk= 0, iat=1536,1559, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 106 ALA QB 107 GLU HN 3.11 (#peak 3802) &rst ixpk= 3802, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr1=1538,1539,1540, &end # # 106 ALA QB 107 GLU HA 4.60 (#peak 1994) &rst ixpk= 1994, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=1538,1539,1540, &end # # 106 ALA QB 107 GLU QG 3.40 (#peak 3805) &rst ixpk= 3805, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1538,1539,1540, igr2=1551,1552, &end # # 106 ALA QB 108 GLY HN 4.48 (#peak 3833) &rst ixpk= 3833, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1538,1539,1540, &end # # 107 GLU HN 107 GLU HB2 4.05 (#peak 1094) &rst ixpk= 1094, nxpk= 0, iat=1544,1548, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 107 GLU HN 107 GLU HB3 3.54 (#peak 1421) &rst ixpk= 1421, nxpk= 0, iat=1544,1549, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 107 GLU HN 107 GLU QG 3.53 (#peak 1420) &rst ixpk= 1420, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=1551,1552, &end # # 107 GLU HN 108 GLY HN 3.72 (#peak 1412) &rst ixpk= 1412, nxpk= 0, iat=1544,1559, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 107 GLU HN 108 GLY HA3 5.77 (#peak 2640) &rst ixpk= 2640, nxpk= 0, iat=1544,1562, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 107 GLU HA 107 GLU QG 3.10 (#peak 910) &rst ixpk= 910, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=1551,1552, &end # # 107 GLU HA 108 GLY HA3 4.78 (#peak 3299) &rst ixpk= 3299, nxpk= 0, iat=1546,1562, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 107 GLU HB2 108 GLY HN 5.87 (#peak 1109) &rst ixpk= 1109, nxpk= 0, iat=1548,1559, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 107 GLU HB3 108 GLY HN 4.50 (#peak 1567) &rst ixpk= 1567, nxpk= 0, iat=1549,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 GLU QG 108 GLY HN 4.79 (#peak 5008) &rst ixpk= 5008, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1551,1552, &end # # 108 GLY HN 109 ALA HN 4.69 (#peak 333) &rst ixpk= 333, nxpk= 0, iat=1559,1566, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 108 GLY HN 109 ALA QB 5.83 (#peak 1569) &rst ixpk= 1569, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2=1570,1571,1572, &end # # 108 GLY HA3 109 ALA QB 4.90 (#peak 3306) &rst ixpk= 3306, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=1570,1571,1572, &end # # 109 ALA HN 109 ALA QB 3.23 (#peak 3450) &rst ixpk= 3450, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=1570,1571,1572, &end # # 109 ALA HN 111 PHE QD 5.26 (#peak 334) &rst ixpk= 334, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1606,1614, &end # # 109 ALA HN 21 VAL O 2.4 &rst ixpk= 334, nxpk= 0, iat=1566, 279, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 109 ALA HA 111 PHE QD 5.06 (#peak 2152) &rst ixpk= 2152, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1606,1614, &end # # 109 ALA N 21 VAL O 3.3 &rst ixpk= 2152, nxpk= 0, iat=1565, 279, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 109 ALA QB 110 LYS HN 5.75 (#peak 282) &rst ixpk= 282, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1=1570,1571,1572, &end # # 109 ALA QB 111 PHE QE 5.19 (#peak 4187) &rst ixpk= 4187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1570,1571,1572, igr2=1608,1612, &end # # 110 LYS HA 111 PHE HN 3.55 (#peak 120) &rst ixpk= 120, nxpk= 0, iat=1578,1598, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 110 LYS HB2 111 PHE HN 5.60 (#peak 139) &rst ixpk= 139, nxpk= 0, iat=1580,1598, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 110 LYS HB3 111 PHE HN 5.03 (#peak 278) &rst ixpk= 278, nxpk= 0, iat=1581,1598, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 110 LYS QE 112 ASN HA 3.48 (#peak 1312) &rst ixpk= 1312, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1=1589,1590, &end # # 110 LYS QE 112 ASN HB2 3.48 (#peak 965) &rst ixpk= 965, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1=1589,1590, &end # # 110 LYS QG 110 LYS QD 2.78 (#peak 1233) &rst ixpk= 1233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1=1583,1584, igr2=1586,1587, &end # # 110 LYS QG 111 PHE HN 5.28 (#peak 2171) &rst ixpk= 2171, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=1583,1584, &end # # 111 PHE HN 111 PHE QD 4.42 (#peak 124) &rst ixpk= 124, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1606,1614, &end # # 111 PHE HN 112 ASN HN 5.46 (#peak 117) &rst ixpk= 117, nxpk= 0, iat=1598,1618, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 111 PHE HN 113 THR QG2 5.25 (#peak 2773) &rst ixpk= 2773, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=1638,1639,1640, &end # # 111 PHE HN 19 VAL O 2.4 &rst ixpk= 2773, nxpk= 0, iat=1598, 249, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 111 PHE HA 111 PHE QD 4.21 (#peak 155) &rst ixpk= 155, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1606,1614, &end # # 111 PHE HA 111 PHE QE 4.83 (#peak 27) &rst ixpk= 27, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1608,1612, &end # # 111 PHE HA 112 ASN HN 3.50 (#peak 154) &rst ixpk= 154, nxpk= 0, iat=1600,1618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 111 PHE HA 112 ASN HB2 4.97 (#peak 4805) &rst ixpk= 4805, nxpk= 0, iat=1600,1622, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 111 PHE HB3 112 ASN HN 4.61 (#peak 3377) &rst ixpk= 3377, nxpk= 0, iat=1603,1618, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 111 PHE HB3 113 THR QG2 3.93 (#peak 2673) &rst ixpk= 2673, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1638,1639,1640, &end # # 111 PHE N 19 VAL O 3.3 &rst ixpk= 2673, nxpk= 0, iat=1597, 249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 111 PHE QD 112 ASN HN 5.19 (#peak 661) &rst ixpk= 661, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=1606,1614, &end # # 112 ASN HN 112 ASN HB2 3.83 (#peak 664) &rst ixpk= 664, nxpk= 0, iat=1618,1622, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 112 ASN HN 112 ASN HB3 3.98 (#peak 3086) &rst ixpk= 3086, nxpk= 0, iat=1618,1623, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 112 ASN HN 112 ASN HD21 5.90 (#peak 676) &rst ixpk= 676, nxpk= 0, iat=1618,1627, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 112 ASN HN 112 ASN HD22 5.77 (#peak 253) &rst ixpk= 253, nxpk= 0, iat=1618,1628, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end # # 112 ASN HA 112 ASN HD21 5.58 (#peak 1988) &rst ixpk= 1988, nxpk= 0, iat=1620,1627, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end # # 112 ASN HA 112 ASN HD22 5.88 (#peak 1439) &rst ixpk= 1439, nxpk= 0, iat=1620,1628, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 112 ASN HA 113 THR HN 3.52 (#peak 1278) &rst ixpk= 1278, nxpk= 0, iat=1620,1632, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 112 ASN HA 113 THR QG2 4.42 (#peak 1991) &rst ixpk= 1991, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1638,1639,1640, &end # # 112 ASN HB2 113 THR HN 4.71 (#peak 1094) &rst ixpk= 1094, nxpk= 0, iat=1622,1632, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 112 ASN HB2 114 ALA HN 4.96 (#peak 252) &rst ixpk= 252, nxpk= 0, iat=1622,1646, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 112 ASN HB3 113 THR HN 4.70 (#peak 1099) &rst ixpk= 1099, nxpk= 0, iat=1623,1632, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 112 ASN HB3 113 THR HA 5.21 (#peak 3084) &rst ixpk= 3084, nxpk= 0, iat=1623,1634, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 112 ASN HB3 114 ALA HN 5.46 (#peak 281) &rst ixpk= 281, nxpk= 0, iat=1623,1646, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 112 ASN HD21 114 ALA QB 4.54 (#peak 3819) &rst ixpk= 3819, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2=1650,1651,1652, &end # # 112 ASN HD22 114 ALA HN 4.90 (#peak 648) &rst ixpk= 648, nxpk= 0, iat=1628,1646, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 112 ASN HD22 114 ALA QB 4.11 (#peak 3498) &rst ixpk= 3498, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1650,1651,1652, &end # # 112 ASN HD22 115 ASN HD21 4.23 (#peak 229) &rst ixpk= 229, nxpk= 0, iat=1628,1665, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 112 ASN HD22 116 LEU QD2 5.57 (#peak 1778) &rst ixpk= 1778, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2=1683,1684,1685, &end # # 113 THR HN 113 THR QG2 3.64 (#peak 2701) &rst ixpk= 2701, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1638,1639,1640, &end # # 113 THR HN 114 ALA HN 3.67 (#peak 1098) &rst ixpk= 1098, nxpk= 0, iat=1632,1646, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 113 THR HN 114 ALA QB 4.12 (#peak 3519) &rst ixpk= 3519, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1650,1651,1652, &end # # 113 THR HN 17 THR O 2.4 &rst ixpk= 3519, nxpk= 0, iat=1632, 222, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 113 THR HA 113 THR QG2 3.21 (#peak 2704) &rst ixpk= 2704, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=1638,1639,1640, &end # # 113 THR HA 115 ASN HN 4.96 (#peak 2522) &rst ixpk= 2522, nxpk= 0, iat=1634,1656, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 113 THR HA 116 LEU HN 4.35 (#peak 4840) &rst ixpk= 4840, nxpk= 0, iat=1634,1670, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 113 THR HA 116 LEU HB2 5.08 (#peak 4836) &rst ixpk= 4836, nxpk= 0, iat=1634,1674, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 113 THR HA 116 LEU HG 4.48 (#peak 4837) &rst ixpk= 4837, nxpk= 0, iat=1634,1677, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 113 THR HA 116 LEU QD1 4.58 (#peak 2529) &rst ixpk= 2529, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1679,1680,1681, &end # # 113 THR HA 116 LEU QD2 3.72 (#peak 1854) &rst ixpk= 1854, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1683,1684,1685, &end # # 113 THR HA 152 LEU QD2 5.90 (#peak 1591) &rst ixpk= 1591, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2230,2231,2232, &end # # 113 THR HB 116 LEU HN 5.22 (#peak 1204) &rst ixpk= 1204, nxpk= 0, iat=1636,1670, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 113 THR HB 116 LEU HB2 5.16 (#peak 3474) &rst ixpk= 3474, nxpk= 0, iat=1636,1674, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 113 THR HB 116 LEU HB3 5.39 (#peak 3475) &rst ixpk= 3475, nxpk= 0, iat=1636,1675, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 113 THR HB 116 LEU QD2 3.83 (#peak 4757) &rst ixpk= 4757, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1683,1684,1685, &end # # 113 THR HB 152 LEU QD2 4.12 (#peak 5402) &rst ixpk= 5402, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=2230,2231,2232, &end # # 113 THR N 17 THR O 3.3 &rst ixpk= 5402, nxpk= 0, iat=1631, 222, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 113 THR QG2 114 ALA HN 4.41 (#peak 285) &rst ixpk= 285, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1638,1639,1640, &end # # 113 THR QG2 116 LEU HN 4.73 (#peak 2671) &rst ixpk= 2671, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=1638,1639,1640, &end # # 113 THR QG2 116 LEU HB2 4.47 (#peak 2674) &rst ixpk= 2674, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1638,1639,1640, &end # # 113 THR QG2 116 LEU HG 4.23 (#peak 4551) &rst ixpk= 4551, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1638,1639,1640, &end # # 113 THR QG2 116 LEU QD2 3.29 (#peak 2707) &rst ixpk= 2707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1=1638,1639,1640, igr2=1683,1684,1685, &end # # 114 ALA HN 114 ALA QB 2.80 (#peak 3501) &rst ixpk= 3501, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1650,1651,1652, &end # # 114 ALA HN 115 ASN HN 4.18 (#peak 1341) &rst ixpk= 1341, nxpk= 0, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 114 ALA HN 116 LEU HN 5.10 (#peak 247) &rst ixpk= 247, nxpk= 0, iat=1646,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 114 ALA HN 116 LEU QD2 5.69 (#peak 4747) &rst ixpk= 4747, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2=1683,1684,1685, &end # # 114 ALA HA 116 LEU HN 4.86 (#peak 706) &rst ixpk= 706, nxpk= 0, iat=1648,1670, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 114 ALA QB 115 ASN HN 3.72 (#peak 1350) &rst ixpk= 1350, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=1650,1651,1652, &end # # 114 ALA QB 115 ASN HB2 5.04 (#peak 3520) &rst ixpk= 3520, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1650,1651,1652, &end # # 114 ALA QB 115 ASN HD21 3.88 (#peak 3818) &rst ixpk= 3818, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1650,1651,1652, &end # # 114 ALA QB 115 ASN HD22 4.82 (#peak 3817) &rst ixpk= 3817, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=1650,1651,1652, &end # # 115 ASN HN 115 ASN HB2 3.90 (#peak 1348) &rst ixpk= 1348, nxpk= 0, iat=1656,1660, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 115 ASN HN 115 ASN HB3 3.79 (#peak 4464) &rst ixpk= 4464, nxpk= 0, iat=1656,1661, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 115 ASN HN 115 ASN HD21 4.86 (#peak 1344) &rst ixpk= 1344, nxpk= 0, iat=1656,1665, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 115 ASN HN 115 ASN HD22 4.81 (#peak 338) &rst ixpk= 338, nxpk= 0, iat=1656,1666, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 115 ASN HN 116 LEU HN 3.60 (#peak 777) &rst ixpk= 777, nxpk= 0, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 115 ASN HN 116 LEU HA 5.10 (#peak 1346) &rst ixpk= 1346, nxpk= 0, iat=1656,1672, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 115 ASN HN 116 LEU QD1 5.09 (#peak 4612) &rst ixpk= 4612, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=1679,1680,1681, &end # # 115 ASN HN 116 LEU QD2 4.82 (#peak 1903) &rst ixpk= 1903, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1683,1684,1685, &end # # 115 ASN HA 115 ASN HD22 5.12 (#peak 1357) &rst ixpk= 1357, nxpk= 0, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 115 ASN HB2 116 LEU HN 4.50 (#peak 781) &rst ixpk= 781, nxpk= 0, iat=1660,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 115 ASN HB3 116 LEU HN 4.56 (#peak 782) &rst ixpk= 782, nxpk= 0, iat=1661,1670, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 115 ASN HB3 116 LEU QD1 5.09 (#peak 3197) &rst ixpk= 3197, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=1679,1680,1681, &end # # 116 LEU HN 116 LEU HB2 3.70 (#peak 783) &rst ixpk= 783, nxpk= 0, iat=1670,1674, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 116 LEU HN 116 LEU HG 4.15 (#peak 784) &rst ixpk= 784, nxpk= 0, iat=1670,1677, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 116 LEU HN 116 LEU QD1 4.04 (#peak 785) &rst ixpk= 785, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1679,1680,1681, &end # # 116 LEU HN 116 LEU QD2 4.00 (#peak 786) &rst ixpk= 786, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1683,1684,1685, &end # # 116 LEU HN 117 PRO HD2 5.46 (#peak 2465) &rst ixpk= 2465, nxpk= 0, iat=1670,1690, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 116 LEU HN 117 PRO HD3 5.44 (#peak 780) &rst ixpk= 780, nxpk= 0, iat=1670,1691, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 116 LEU HA 116 LEU HG 3.75 (#peak 1414) &rst ixpk= 1414, nxpk= 0, iat=1672,1677, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 116 LEU HA 116 LEU QD1 2.98 (#peak 2455) &rst ixpk= 2455, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=1679,1680,1681, &end # # 116 LEU HA 116 LEU QD2 4.10 (#peak 2281) &rst ixpk= 2281, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1683,1684,1685, &end # # 116 LEU HA 117 PRO HD2 3.39 (#peak 1725) &rst ixpk= 1725, nxpk= 0, iat=1672,1690, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 116 LEU HA 117 PRO HD3 3.15 (#peak 1738) &rst ixpk= 1738, nxpk= 0, iat=1672,1691, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 116 LEU HA 117 PRO HG2 4.61 (#peak 1413) &rst ixpk= 1413, nxpk= 0, iat=1672,1693, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 116 LEU HA 117 PRO HG3 4.60 (#peak 1489) &rst ixpk= 1489, nxpk= 0, iat=1672,1694, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 116 LEU HA 121 TYR HE2 5.88 (#peak 1380) &rst ixpk= 1380, nxpk= 0, iat=1672,1760, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 116 LEU HA 121 TYR HH 4.34 (#peak 2282) &rst ixpk= 2282, nxpk= 0, iat=1672,1758, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 116 LEU HB2 116 LEU QD1 3.98 (#peak 1697) &rst ixpk= 1697, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1679,1680,1681, &end # # 116 LEU HB2 116 LEU QD2 3.58 (#peak 1855) &rst ixpk= 1855, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1683,1684,1685, &end # # 116 LEU HB2 117 PRO HD2 4.81 (#peak 2473) &rst ixpk= 2473, nxpk= 0, iat=1674,1690, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 116 LEU HB2 117 PRO HD3 5.39 (#peak 1790) &rst ixpk= 1790, nxpk= 0, iat=1674,1691, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 116 LEU HB2 121 TYR HH 4.86 (#peak 3835) &rst ixpk= 3835, nxpk= 0, iat=1674,1758, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 116 LEU HB2 152 LEU QD2 3.52 (#peak 1656) &rst ixpk= 1656, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=2230,2231,2232, &end # # 116 LEU HB3 116 LEU QD1 3.87 (#peak 4078) &rst ixpk= 4078, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1679,1680,1681, &end # # 116 LEU HB3 116 LEU QD2 3.71 (#peak 4079) &rst ixpk= 4079, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1683,1684,1685, &end # # 116 LEU HB3 117 PRO HD3 4.65 (#peak 2721) &rst ixpk= 2721, nxpk= 0, iat=1675,1691, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 116 LEU HB3 121 TYR HH 4.12 (#peak 4134) &rst ixpk= 4134, nxpk= 0, iat=1675,1758, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 116 LEU HB3 152 LEU QD1 4.04 (#peak 5441) &rst ixpk= 5441, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=2226,2227,2228, &end # # 116 LEU QD1 117 PRO HD2 3.03 (#peak 2456) &rst ixpk= 2456, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr1=1679,1680,1681, &end # # 116 LEU QD1 117 PRO HD3 3.22 (#peak 2422) &rst ixpk= 2422, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=1679,1680,1681, &end # # 116 LEU QD1 117 PRO HG2 4.90 (#peak 4626) &rst ixpk= 4626, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1679,1680,1681, &end # # 116 LEU QD1 117 PRO HG3 4.89 (#peak 3497) &rst ixpk= 3497, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=1679,1680,1681, &end # # 116 LEU QD1 121 TYR HE2 4.31 (#peak 4617) &rst ixpk= 4617, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=1679,1680,1681, &end # # 116 LEU QD1 121 TYR HH 4.32 (#peak 4611) &rst ixpk= 4611, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1679,1680,1681, &end # # 116 LEU QD1 121 TYR QD 4.46 (#peak 1292) &rst ixpk= 1292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1679,1680,1681, igr2=1753,1762, &end # # 116 LEU QD2 117 PRO HD2 4.71 (#peak 2475) &rst ixpk= 2475, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1683,1684,1685, &end # # 116 LEU QD2 117 PRO HD3 5.19 (#peak 2723) &rst ixpk= 2723, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=1683,1684,1685, &end # # 116 LEU QD2 121 TYR HB3 5.90 (#peak 3286) &rst ixpk= 3286, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1683,1684,1685, &end # # 116 LEU QD2 121 TYR HE1 5.90 (#peak 1408) &rst ixpk= 1408, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1683,1684,1685, &end # # 116 LEU QD2 121 TYR HE2 4.83 (#peak 4751) &rst ixpk= 4751, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1683,1684,1685, &end # # 116 LEU QD2 121 TYR HH 4.86 (#peak 20) &rst ixpk= 20, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1683,1684,1685, &end # # 116 LEU QD2 152 LEU QD1 4.95 (#peak 5440) &rst ixpk= 5440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1683,1684,1685, igr2=2226,2227,2228, &end # # 116 LEU QD2 152 LEU QD2 4.48 (#peak 1654) &rst ixpk= 1654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1=1683,1684,1685, igr2=2230,2231,2232, &end # # 117 PRO HA 118 ALA HN 3.50 (#peak 4827) &rst ixpk= 4827, nxpk= 0, iat=1699,1703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 PRO HA 118 ALA QB 4.22 (#peak 4831) &rst ixpk= 4831, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=1707,1708,1709, &end # # 117 PRO HA 121 TYR HH 5.39 (#peak 2101) &rst ixpk= 2101, nxpk= 0, iat=1699,1758, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 117 PRO HB2 118 ALA HN 3.70 (#peak 254) &rst ixpk= 254, nxpk= 0, iat=1696,1703, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 117 PRO HB2 118 ALA QB 3.88 (#peak 3845) &rst ixpk= 3845, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1707,1708,1709, &end # # 117 PRO HB2 121 TYR HH 4.86 (#peak 3303) &rst ixpk= 3303, nxpk= 0, iat=1696,1758, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 117 PRO HB3 118 ALA HN 3.48 (#peak 273) &rst ixpk= 273, nxpk= 0, iat=1697,1703, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 117 PRO HB3 121 TYR HH 5.39 (#peak 272) &rst ixpk= 272, nxpk= 0, iat=1697,1758, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 117 PRO HD2 121 TYR HH 4.39 (#peak 2470) &rst ixpk= 2470, nxpk= 0, iat=1690,1758, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 117 PRO HD3 121 TYR HH 4.44 (#peak 2724) &rst ixpk= 2724, nxpk= 0, iat=1691,1758, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 117 PRO HG2 121 TYR HE1 5.70 (#peak 3469) &rst ixpk= 3469, nxpk= 0, iat=1693,1755, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 117 PRO HG2 121 TYR HH 4.31 (#peak 3458) &rst ixpk= 3458, nxpk= 0, iat=1693,1758, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 117 PRO HG3 118 ALA HN 5.15 (#peak 397) &rst ixpk= 397, nxpk= 0, iat=1694,1703, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 117 PRO HG3 121 TYR HH 4.41 (#peak 1486) &rst ixpk= 1486, nxpk= 0, iat=1694,1758, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 118 ALA HN 118 ALA QB 2.88 (#peak 3916) &rst ixpk= 3916, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=1707,1708,1709, &end # # 118 ALA HN 119 ALA HN 4.25 (#peak 390) &rst ixpk= 390, nxpk= 0, iat=1703,1713, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 118 ALA HN 119 ALA HA 5.47 (#peak 392) &rst ixpk= 392, nxpk= 0, iat=1703,1715, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 118 ALA HN 121 TYR HH 5.63 (#peak 4) &rst ixpk= 4, nxpk= 0, iat=1703,1758, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end # # 118 ALA HA 119 ALA HN 3.34 (#peak 710) &rst ixpk= 710, nxpk= 0, iat=1705,1713, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 118 ALA HA 121 TYR HE1 4.57 (#peak 2435) &rst ixpk= 2435, nxpk= 0, iat=1705,1755, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 118 ALA HA 121 TYR HH 5.90 (#peak 4846) &rst ixpk= 4846, nxpk= 0, iat=1705,1758, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 118 ALA HA 152 LEU HN 5.90 (#peak 1600) &rst ixpk= 1600, nxpk= 0, iat=1705,2217, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 118 ALA HA 152 LEU HB2 4.28 (#peak 3583) &rst ixpk= 3583, nxpk= 0, iat=1705,2221, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 118 ALA QB 119 ALA HN 3.67 (#peak 3895) &rst ixpk= 3895, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1707,1708,1709, &end # # 118 ALA QB 121 TYR HH 5.66 (#peak 3878) &rst ixpk= 3878, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1=1707,1708,1709, &end # # 119 ALA HN 119 ALA QB 3.29 (#peak 3510) &rst ixpk= 3510, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=1717,1718,1719, &end # # 119 ALA HN 120 LYS HN 4.75 (#peak 217) &rst ixpk= 217, nxpk= 0, iat=1713,1723, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 119 ALA HN 121 TYR HE1 4.10 (#peak 256) &rst ixpk= 256, nxpk= 0, iat=1713,1755, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 119 ALA HN 121 TYR HE2 5.90 (#peak 1377) &rst ixpk= 1377, nxpk= 0, iat=1713,1760, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 119 ALA HN 121 TYR HH 4.96 (#peak 254) &rst ixpk= 254, nxpk= 0, iat=1713,1758, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 119 ALA HN 121 TYR QD 5.62 (#peak 1269) &rst ixpk= 1269, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr2=1753,1762, &end # # 119 ALA HN 151 GLU HA 5.43 (#peak 257) &rst ixpk= 257, nxpk= 0, iat=1713,2204, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 119 ALA HN 151 GLU QG 4.43 (#peak 221) &rst ixpk= 221, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=2209,2210, &end # # 119 ALA HN 152 LEU HB3 5.62 (#peak 223) &rst ixpk= 223, nxpk= 0, iat=1713,2222, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 119 ALA HN 152 LEU HG 4.56 (#peak 3592) &rst ixpk= 3592, nxpk= 0, iat=1713,2224, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 119 ALA HN 152 LEU QD1 4.86 (#peak 225) &rst ixpk= 225, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=2226,2227,2228, &end # # 119 ALA HA 120 LYS HN 3.00 (#peak 1565) &rst ixpk= 1565, nxpk= 0, iat=1715,1723, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 119 ALA HA 121 TYR HE1 5.09 (#peak 2285) &rst ixpk= 2285, nxpk= 0, iat=1715,1755, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 119 ALA QB 120 LYS HN 2.66 (#peak 3511) &rst ixpk= 3511, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr1=1717,1718,1719, &end # # 119 ALA QB 121 TYR HE1 4.36 (#peak 1404) &rst ixpk= 1404, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=1717,1718,1719, &end # # 119 ALA QB 121 TYR HH 3.67 (#peak 5435) &rst ixpk= 5435, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1717,1718,1719, &end # # 120 LYS HN 120 LYS HB2 4.09 (#peak 63) &rst ixpk= 63, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 120 LYS HN 120 LYS HB3 3.89 (#peak 1053) &rst ixpk= 1053, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 120 LYS HN 120 LYS HG2 4.57 (#peak 1983) &rst ixpk= 1983, nxpk= 0, iat=1723,1730, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 120 LYS HN 120 LYS HG3 3.62 (#peak 1054) &rst ixpk= 1054, nxpk= 0, iat=1723,1731, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 120 LYS HN 120 LYS QD 4.44 (#peak 1127) &rst ixpk= 1127, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=1733,1734, &end # # 120 LYS HN 120 LYS QE 5.12 (#peak 1039) &rst ixpk= 1039, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=1736,1737, &end # # 120 LYS HN 121 TYR HN 4.72 (#peak 1055) &rst ixpk= 1055, nxpk= 0, iat=1723,1745, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 120 LYS HN 121 TYR HE1 5.55 (#peak 1049) &rst ixpk= 1049, nxpk= 0, iat=1723,1755, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 120 LYS HN 121 TYR HH 5.90 (#peak 1088) &rst ixpk= 1088, nxpk= 0, iat=1723,1758, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 120 LYS HN 151 GLU HA 5.75 (#peak 1040) &rst ixpk= 1040, nxpk= 0, iat=1723,2204, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 120 LYS HN 151 GLU QG 4.58 (#peak 878) &rst ixpk= 878, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=2209,2210, &end # # 120 LYS HA 120 LYS HG3 3.99 (#peak 1950) &rst ixpk= 1950, nxpk= 0, iat=1725,1731, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 120 LYS HA 120 LYS QD 5.01 (#peak 1027) &rst ixpk= 1027, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1733,1734, &end # # 120 LYS HA 121 TYR HN 3.32 (#peak 865) &rst ixpk= 865, nxpk= 0, iat=1725,1745, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 120 LYS HA 151 GLU QG 3.88 (#peak 5039) &rst ixpk= 5039, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=2209,2210, &end # # 120 LYS HA 152 LEU HN 4.97 (#peak 708) &rst ixpk= 708, nxpk= 0, iat=1725,2217, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 120 LYS HB2 120 LYS QD 3.37 (#peak 3761) &rst ixpk= 3761, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=1733,1734, &end # # 120 LYS HB2 120 LYS QE 4.54 (#peak 62) &rst ixpk= 62, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1736,1737, &end # # 120 LYS HB2 121 TYR HN 4.39 (#peak 49) &rst ixpk= 49, nxpk= 0, iat=1727,1745, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 120 LYS HB3 120 LYS QE 4.36 (#peak 79) &rst ixpk= 79, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1736,1737, &end # # 120 LYS HB3 121 TYR HN 4.60 (#peak 66) &rst ixpk= 66, nxpk= 0, iat=1728,1745, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 120 LYS HG2 120 LYS QE 3.61 (#peak 1985) &rst ixpk= 1985, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1736,1737, &end # # 120 LYS HG2 151 GLU HA 4.83 (#peak 889) &rst ixpk= 889, nxpk= 0, iat=1730,2204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 120 LYS HG2 151 GLU HB2 4.73 (#peak 561) &rst ixpk= 561, nxpk= 0, iat=1730,2206, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 120 LYS HG2 151 GLU HB3 5.13 (#peak 565) &rst ixpk= 565, nxpk= 0, iat=1730,2207, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 120 LYS HG2 151 GLU QG 4.28 (#peak 5040) &rst ixpk= 5040, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=2209,2210, &end # # 120 LYS HG3 120 LYS QE 3.71 (#peak 1991) &rst ixpk= 1991, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=1736,1737, &end # # 120 LYS HG3 121 TYR HN 4.86 (#peak 1949) &rst ixpk= 1949, nxpk= 0, iat=1731,1745, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 120 LYS HG3 151 GLU HA 4.64 (#peak 891) &rst ixpk= 891, nxpk= 0, iat=1731,2204, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 120 LYS HG3 151 GLU HB2 5.21 (#peak 562) &rst ixpk= 562, nxpk= 0, iat=1731,2206, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 120 LYS HG3 151 GLU HB3 4.87 (#peak 566) &rst ixpk= 566, nxpk= 0, iat=1731,2207, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 120 LYS HG3 151 GLU QG 3.84 (#peak 5058) &rst ixpk= 5058, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=2209,2210, &end # # 120 LYS QE 121 TYR HN 5.50 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1736,1737, &end # # 121 TYR HN 121 TYR HE1 5.34 (#peak 863) &rst ixpk= 863, nxpk= 0, iat=1745,1755, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 121 TYR HN 121 TYR QD 4.27 (#peak 862) &rst ixpk= 862, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1753,1762, &end # # 121 TYR HN 122 LYS HN 5.02 (#peak 184) &rst ixpk= 184, nxpk= 0, iat=1745,1766, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 121 TYR HN 122 LYS QE 5.50 (#peak 868) &rst ixpk= 868, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1779,1780, &end # # 121 TYR HN 150 ILE HN 4.21 (#peak 858) &rst ixpk= 858, nxpk= 0, iat=1745,2183, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 121 TYR HN 150 ILE HA 5.86 (#peak 866) &rst ixpk= 866, nxpk= 0, iat=1745,2185, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 121 TYR HN 150 ILE O 2.4 &rst ixpk= 866, nxpk= 0, iat=1745,2200, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 121 TYR HN 150 ILE QG2 3.88 (#peak 4260) &rst ixpk= 4260, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=2189,2190,2191, &end # # 121 TYR HN 151 GLU HN 5.90 (#peak 176) &rst ixpk= 176, nxpk= 0, iat=1745,2202, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 121 TYR HN 151 GLU HA 3.99 (#peak 864) &rst ixpk= 864, nxpk= 0, iat=1745,2204, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 121 TYR HN 151 GLU HB2 5.27 (#peak 3530) &rst ixpk= 3530, nxpk= 0, iat=1745,2206, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 121 TYR HN 151 GLU QG 4.83 (#peak 5041) &rst ixpk= 5041, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=2209,2210, &end # # 121 TYR HA 121 TYR QD 3.55 (#peak 142) &rst ixpk= 142, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=1753,1762, &end # # 121 TYR HA 122 LYS HN 3.30 (#peak 1932) &rst ixpk= 1932, nxpk= 0, iat=1747,1766, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 121 TYR HA 123 ILE QD1 5.90 (#peak 1792) &rst ixpk= 1792, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1801,1802,1803, &end # # 121 TYR HB2 121 TYR HE1 4.93 (#peak 2792) &rst ixpk= 2792, nxpk= 0, iat=1749,1755, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 121 TYR HB2 122 LYS HN 4.00 (#peak 914) &rst ixpk= 914, nxpk= 0, iat=1749,1766, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 121 TYR HB2 150 ILE QG2 3.61 (#peak 4224) &rst ixpk= 4224, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=2189,2190,2191, &end # # 121 TYR HB3 122 LYS HN 3.89 (#peak 3276) &rst ixpk= 3276, nxpk= 0, iat=1750,1766, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 121 TYR HB3 150 ILE QG2 3.49 (#peak 4263) &rst ixpk= 4263, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=2189,2190,2191, &end # # 121 TYR HE1 121 TYR HH 3.52 (#peak 9) &rst ixpk= 9, nxpk= 0, iat=1755,1758, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 121 TYR HE1 152 LEU HN 5.10 (#peak 667) &rst ixpk= 667, nxpk= 0, iat=1755,2217, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 121 TYR HE1 152 LEU HG 4.65 (#peak 3602) &rst ixpk= 3602, nxpk= 0, iat=1755,2224, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 121 TYR HE1 152 LEU QD2 4.10 (#peak 4217) &rst ixpk= 4217, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=2230,2231,2232, &end # # 121 TYR HE2 121 TYR HH 3.51 (#peak 8) &rst ixpk= 8, nxpk= 0, iat=1760,1758, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 121 TYR HE2 152 LEU QD2 5.39 (#peak 4223) &rst ixpk= 4223, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=2230,2231,2232, &end # # 121 TYR HH 152 LEU HG 5.27 (#peak 3588) &rst ixpk= 3588, nxpk= 0, iat=1758,2224, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 121 TYR HH 152 LEU QD2 4.16 (#peak 1650) &rst ixpk= 1650, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=2230,2231,2232, &end # # 121 TYR N 150 ILE O 3.3 &rst ixpk= 1650, nxpk= 0, iat=1744,2200, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 121 TYR QD 121 TYR HE1 3.65 (#peak 1275) &rst ixpk= 1275, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1=1753,1762, &end # # 121 TYR QD 121 TYR HE2 3.80 (#peak 1274) &rst ixpk= 1274, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1=1753,1762, &end # # 121 TYR QD 121 TYR HH 4.71 (#peak 1271) &rst ixpk= 1271, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=1753,1762, &end # # 121 TYR QD 122 LYS HN 4.32 (#peak 910) &rst ixpk= 910, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1753,1762, &end # # 121 TYR QD 150 ILE HN 5.48 (#peak 368) &rst ixpk= 368, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=1753,1762, &end # # 121 TYR QD 150 ILE QG2 3.85 (#peak 1286) &rst ixpk= 1286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1753,1762, igr2=2189,2190,2191, &end # # 121 TYR QD 151 GLU HA 5.41 (#peak 471) &rst ixpk= 471, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1753,1762, &end # # 121 TYR QD 151 GLU QG 5.90 (#peak 1153) &rst ixpk= 1153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1=1753,1762, igr2=2209,2210, &end # # 121 TYR QD 152 LEU QD2 5.39 (#peak 5443) &rst ixpk= 5443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1=1753,1762, igr2=2230,2231,2232, &end # # 122 LYS HN 122 LYS HB2 4.17 (#peak 933) &rst ixpk= 933, nxpk= 0, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 122 LYS HN 122 LYS QG 4.79 (#peak 1869) &rst ixpk= 1869, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1773,1774, &end # # 122 LYS HN 124 TYR QE 5.86 (#peak 1376) &rst ixpk= 1376, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1817,1822, &end # # 122 LYS HN 150 ILE QG2 4.90 (#peak 916) &rst ixpk= 916, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=2189,2190,2191, &end # # 122 LYS HN 66 THR O 2.4 &rst ixpk= 916, nxpk= 0, iat=1766, 949, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 122 LYS HA 122 LYS HD2 5.44 (#peak 1731) &rst ixpk= 1731, nxpk= 0, iat=1768,1776, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 122 LYS HA 122 LYS HD3 5.90 (#peak 420) &rst ixpk= 420, nxpk= 0, iat=1768,1777, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 122 LYS HA 122 LYS QE 5.54 (#peak 976) &rst ixpk= 976, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=1779,1780, &end # # 122 LYS HA 122 LYS QG 3.43 (#peak 935) &rst ixpk= 935, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2=1773,1774, &end # # 122 LYS HA 123 ILE HN 3.48 (#peak 932) &rst ixpk= 932, nxpk= 0, iat=1768,1788, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 122 LYS HA 123 ILE HA 5.57 (#peak 1728) &rst ixpk= 1728, nxpk= 0, iat=1768,1790, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 122 LYS HA 124 TYR QE 5.36 (#peak 1727) &rst ixpk= 1727, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1817,1822, &end # # 122 LYS HA 148 ILE HB 5.18 (#peak 1734) &rst ixpk= 1734, nxpk= 0, iat=1768,2153, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 122 LYS HA 148 ILE QG2 5.23 (#peak 4106) &rst ixpk= 4106, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr2=2155,2156,2157, &end # # 122 LYS HA 149 GLU HN 5.55 (#peak 208) &rst ixpk= 208, nxpk= 0, iat=1768,2168, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 122 LYS HA 149 GLU HA 4.25 (#peak 933) &rst ixpk= 933, nxpk= 0, iat=1768,2170, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 122 LYS HA 150 ILE HN 4.47 (#peak 525) &rst ixpk= 525, nxpk= 0, iat=1768,2183, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 122 LYS HA 150 ILE QG2 4.88 (#peak 1733) &rst ixpk= 1733, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=2189,2190,2191, &end # # 122 LYS HB2 122 LYS HD3 3.97 (#peak 928) &rst ixpk= 928, nxpk= 0, iat=1770,1777, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 122 LYS HB2 122 LYS QE 3.78 (#peak 3645) &rst ixpk= 3645, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1779,1780, &end # # 122 LYS HB2 123 ILE HN 5.11 (#peak 1043) &rst ixpk= 1043, nxpk= 0, iat=1770,1788, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 122 LYS HB2 123 ILE QD1 5.28 (#peak 4786) &rst ixpk= 4786, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2=1801,1802,1803, &end # # 122 LYS HB2 124 TYR QD 5.23 (#peak 3553) &rst ixpk= 3553, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1815,1824, &end # # 122 LYS HB2 124 TYR QE 4.02 (#peak 3552) &rst ixpk= 3552, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=1817,1822, &end # # 122 LYS HB3 122 LYS HD2 3.43 (#peak 3685) &rst ixpk= 3685, nxpk= 0, iat=1771,1776, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 122 LYS HB3 122 LYS QE 4.83 (#peak 5092) &rst ixpk= 5092, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1779,1780, &end # # 122 LYS HB3 123 ILE HN 4.75 (#peak 5124) &rst ixpk= 5124, nxpk= 0, iat=1771,1788, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 122 LYS HB3 124 TYR QD 4.60 (#peak 4101) &rst ixpk= 4101, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1815,1824, &end # # 122 LYS HB3 124 TYR QE 3.68 (#peak 4113) &rst ixpk= 4113, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1817,1822, &end # # 122 LYS HD2 124 TYR QD 4.99 (#peak 257) &rst ixpk= 257, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1815,1824, &end # # 122 LYS HD2 124 TYR QE 3.69 (#peak 3690) &rst ixpk= 3690, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1817,1822, &end # # 122 LYS HD3 124 TYR QE 4.25 (#peak 3786) &rst ixpk= 3786, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1817,1822, &end # # 122 LYS HD3 149 GLU HA 4.37 (#peak 799) &rst ixpk= 799, nxpk= 0, iat=1777,2170, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 122 LYS N 66 THR O 3.3 &rst ixpk= 799, nxpk= 0, iat=1765, 949, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 122 LYS QE 124 TYR QE 4.81 (#peak 3035) &rst ixpk= 3035, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=1779,1780, igr2=1817,1822, &end # # 122 LYS QE 149 GLU HN 5.80 (#peak 210) &rst ixpk= 210, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1779,1780, &end # # 122 LYS QE 149 GLU HA 3.68 (#peak 1945) &rst ixpk= 1945, nxpk= 0, iat= -1,2170, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1=1779,1780, &end # # 122 LYS QE 149 GLU HB2 4.45 (#peak 3736) &rst ixpk= 3736, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=1779,1780, &end # # 122 LYS QE 149 GLU QG 4.28 (#peak 3701) &rst ixpk= 3701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1779,1780, igr2=2175,2176, &end # # 122 LYS QG 122 LYS QE 2.92 (#peak 3675) &rst ixpk= 3675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1=1773,1774, igr2=1779,1780, &end # # 122 LYS QG 124 TYR QE 5.17 (#peak 1825) &rst ixpk= 1825, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1773,1774, igr2=1817,1822, &end # # 122 LYS QG 149 GLU HA 5.05 (#peak 1927) &rst ixpk= 1927, nxpk= 0, iat= -1,2170, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1773,1774, &end # # 122 LYS QG 149 GLU HB2 4.34 (#peak 757) &rst ixpk= 757, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1=1773,1774, &end # # 122 LYS QG 149 GLU HB3 4.79 (#peak 760) &rst ixpk= 760, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1773,1774, &end # # 122 LYS QG 150 ILE HN 4.98 (#peak 530) &rst ixpk= 530, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=1773,1774, &end # # 123 ILE HN 123 ILE HB 4.07 (#peak 4424) &rst ixpk= 4424, nxpk= 0, iat=1788,1792, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 123 ILE HN 123 ILE HG12 4.73 (#peak 2233) &rst ixpk= 2233, nxpk= 0, iat=1788,1798, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 123 ILE HN 123 ILE HG13 5.22 (#peak 4834) &rst ixpk= 4834, nxpk= 0, iat=1788,1799, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 123 ILE HN 123 ILE QD1 3.86 (#peak 4721) &rst ixpk= 4721, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1801,1802,1803, &end # # 123 ILE HN 123 ILE QG2 4.01 (#peak 3635) &rst ixpk= 3635, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1794,1795,1796, &end # # 123 ILE HN 124 TYR HN 5.24 (#peak 179) &rst ixpk= 179, nxpk= 0, iat=1788,1807, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 123 ILE HN 124 TYR QD 5.08 (#peak 606) &rst ixpk= 606, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=1815,1824, &end # # 123 ILE HN 124 TYR QE 5.06 (#peak 604) &rst ixpk= 604, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1817,1822, &end # # 123 ILE HN 148 ILE O 2.4 &rst ixpk= 604, nxpk= 0, iat=1788,2166, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 123 ILE HN 150 ILE QG2 4.79 (#peak 1045) &rst ixpk= 1045, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=2189,2190,2191, &end # # 123 ILE HA 123 ILE QD1 4.34 (#peak 4783) &rst ixpk= 4783, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1801,1802,1803, &end # # 123 ILE HA 123 ILE QG2 3.16 (#peak 3599) &rst ixpk= 3599, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1794,1795,1796, &end # # 123 ILE HA 124 TYR HN 3.39 (#peak 5158) &rst ixpk= 5158, nxpk= 0, iat=1790,1807, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 123 ILE HA 124 TYR HB2 4.92 (#peak 5160) &rst ixpk= 5160, nxpk= 0, iat=1790,1811, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 123 ILE HA 124 TYR QD 4.36 (#peak 253) &rst ixpk= 253, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1815,1824, &end # # 123 ILE HB 123 ILE QD1 3.39 (#peak 4690) &rst ixpk= 4690, nxpk= 0, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1801,1802,1803, &end # # 123 ILE HB 124 TYR HN 5.43 (#peak 72) &rst ixpk= 72, nxpk= 0, iat=1792,1807, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 123 ILE HB 148 ILE HB 3.79 (#peak 4276) &rst ixpk= 4276, nxpk= 0, iat=1792,2153, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 123 ILE HB 148 ILE HG12 4.72 (#peak 1449) &rst ixpk= 1449, nxpk= 0, iat=1792,2159, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 123 ILE HB 148 ILE QD1 5.43 (#peak 4427) &rst ixpk= 4427, nxpk= 0, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=2162,2163,2164, &end # # 123 ILE HG12 124 TYR HN 5.66 (#peak 4678) &rst ixpk= 4678, nxpk= 0, iat=1798,1807, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 123 ILE HG12 148 ILE HB 5.14 (#peak 4682) &rst ixpk= 4682, nxpk= 0, iat=1798,2153, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 123 ILE HG12 150 ILE QD1 4.85 (#peak 4502) &rst ixpk= 4502, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2=2196,2197,2198, &end # # 123 ILE HG12 162 VAL QG2 5.44 (#peak 4520) &rst ixpk= 4520, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=2376,2377,2378, &end # # 123 ILE HG13 124 TYR HN 5.50 (#peak 192) &rst ixpk= 192, nxpk= 0, iat=1799,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 ILE HG13 148 ILE HB 5.57 (#peak 4839) &rst ixpk= 4839, nxpk= 0, iat=1799,2153, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 123 ILE HG13 150 ILE QG2 4.27 (#peak 4841) &rst ixpk= 4841, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=2189,2190,2191, &end # # 123 ILE N 148 ILE O 3.3 &rst ixpk= 4841, nxpk= 0, iat=1787,2166, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 123 ILE QD1 124 TYR HN 5.07 (#peak 4776) &rst ixpk= 4776, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=1801,1802,1803, &end # # 123 ILE QD1 148 ILE HA 5.43 (#peak 2519) &rst ixpk= 2519, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=1801,1802,1803, &end # # 123 ILE QD1 148 ILE HB 4.00 (#peak 3811) &rst ixpk= 3811, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1801,1802,1803, &end # # 123 ILE QD1 148 ILE HG12 5.19 (#peak 3755) &rst ixpk= 3755, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=1801,1802,1803, &end # # 123 ILE QD1 148 ILE QD1 3.27 (#peak 5488) &rst ixpk= 5488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1801,1802,1803, igr2=2162,2163,2164, &end # # 123 ILE QD1 148 ILE QG2 3.20 (#peak 4082) &rst ixpk= 4082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1801,1802,1803, igr2=2155,2156,2157, &end # # 123 ILE QD1 149 GLU HA 5.05 (#peak 1931) &rst ixpk= 1931, nxpk= 0, iat= -1,2170, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=1801,1802,1803, &end # # 123 ILE QD1 150 ILE HA 5.61 (#peak 2079) &rst ixpk= 2079, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1801,1802,1803, &end # # 123 ILE QD1 150 ILE HB 4.07 (#peak 3914) &rst ixpk= 3914, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=1801,1802,1803, &end # # 123 ILE QD1 150 ILE HG12 4.55 (#peak 1457) &rst ixpk= 1457, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1801,1802,1803, &end # # 123 ILE QD1 150 ILE HG13 4.86 (#peak 1466) &rst ixpk= 1466, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1801,1802,1803, &end # # 123 ILE QD1 150 ILE QD1 3.24 (#peak 4503) &rst ixpk= 4503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1=1801,1802,1803, igr2=2196,2197,2198, &end # # 123 ILE QD1 150 ILE QG2 2.50 (#peak 4691) &rst ixpk= 4691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1=1801,1802,1803, igr2=2189,2190,2191, &end # # 123 ILE QD1 162 VAL HB 4.77 (#peak 3599) &rst ixpk= 3599, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=1801,1802,1803, &end # # 123 ILE QD1 162 VAL QG1 3.94 (#peak 4801) &rst ixpk= 4801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=1801,1802,1803, igr2=2372,2373,2374, &end # # 123 ILE QG2 123 ILE HG12 3.67 (#peak 3603) &rst ixpk= 3603, nxpk= 0, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1794,1795,1796, &end # # 123 ILE QG2 123 ILE HG13 3.39 (#peak 3605) &rst ixpk= 3605, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=1794,1795,1796, &end # # 123 ILE QG2 123 ILE QD1 3.16 (#peak 4791) &rst ixpk= 4791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=1794,1795,1796, igr2=1801,1802,1803, &end # # 123 ILE QG2 124 TYR HN 3.85 (#peak 3595) &rst ixpk= 3595, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1794,1795,1796, &end # # 123 ILE QG2 124 TYR HB3 5.90 (#peak 3273) &rst ixpk= 3273, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1794,1795,1796, &end # # 123 ILE QG2 124 TYR QD 5.34 (#peak 4651) &rst ixpk= 4651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=1794,1795,1796, igr2=1815,1824, &end # # 123 ILE QG2 125 GLU HB2 4.68 (#peak 3637) &rst ixpk= 3637, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1794,1795,1796, &end # # 123 ILE QG2 148 ILE HB 4.32 (#peak 3548) &rst ixpk= 3548, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1794,1795,1796, &end # # 123 ILE QG2 148 ILE QD1 3.84 (#peak 1709) &rst ixpk= 1709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=1794,1795,1796, igr2=2162,2163,2164, &end # # 123 ILE QG2 162 VAL HB 5.90 (#peak 5251) &rst ixpk= 5251, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1794,1795,1796, &end # # 123 ILE QG2 162 VAL QG2 4.27 (#peak 3199) &rst ixpk= 3199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=1794,1795,1796, igr2=2376,2377,2378, &end # # 124 TYR HN 124 TYR QD 3.91 (#peak 76) &rst ixpk= 76, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1815,1824, &end # # 124 TYR HN 124 TYR QE 5.50 (#peak 1357) &rst ixpk= 1357, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1817,1822, &end # # 124 TYR HN 126 ILE QD1 5.76 (#peak 83) &rst ixpk= 83, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr2=1856,1857,1858, &end # # 124 TYR HN 64 VAL O 2.4 &rst ixpk= 83, nxpk= 0, iat=1807, 911, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 124 TYR HA 124 TYR QD 3.65 (#peak 2242) &rst ixpk= 2242, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=1815,1824, &end # # 124 TYR HA 124 TYR QE 5.90 (#peak 594) &rst ixpk= 594, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1817,1822, &end # # 124 TYR HA 147 PRO HA 3.81 (#peak 36) &rst ixpk= 36, nxpk= 0, iat=1809,2145, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 124 TYR HB2 126 ILE QD1 3.50 (#peak 5471) &rst ixpk= 5471, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1856,1857,1858, &end # # 124 TYR HB3 126 ILE HG12 4.94 (#peak 1758) &rst ixpk= 1758, nxpk= 0, iat=1812,1853, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 124 TYR HB3 126 ILE QD1 3.43 (#peak 5470) &rst ixpk= 5470, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1856,1857,1858, &end # # 124 TYR N 64 VAL O 3.3 &rst ixpk= 5470, nxpk= 0, iat=1806, 911, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 124 TYR QD 126 ILE QD1 3.97 (#peak 4407) &rst ixpk= 4407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=1815,1824, igr2=1856,1857,1858, &end # # 124 TYR QD 147 PRO HB2 4.43 (#peak 4060) &rst ixpk= 4060, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=1815,1824, &end # # 124 TYR QD 147 PRO HB3 5.23 (#peak 807) &rst ixpk= 807, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=1815,1824, &end # # 124 TYR QD 147 PRO HD3 5.40 (#peak 2663) &rst ixpk= 2663, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=1815,1824, &end # # 124 TYR QD 147 PRO HG3 5.00 (#peak 1341) &rst ixpk= 1341, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1815,1824, &end # # 124 TYR QE 147 PRO HA 5.90 (#peak 601) &rst ixpk= 601, nxpk= 0, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1817,1822, &end # # 124 TYR QE 147 PRO HB2 3.75 (#peak 4018) &rst ixpk= 4018, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1=1817,1822, &end # # 124 TYR QE 147 PRO HB3 3.68 (#peak 220) &rst ixpk= 220, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1=1817,1822, &end # # 124 TYR QE 147 PRO HD2 5.73 (#peak 773) &rst ixpk= 773, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=1817,1822, &end # # 124 TYR QE 147 PRO HD3 4.90 (#peak 1710) &rst ixpk= 1710, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=1817,1822, &end # # 124 TYR QE 147 PRO HG2 4.79 (#peak 1173) &rst ixpk= 1173, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1817,1822, &end # # 124 TYR QE 147 PRO HG3 4.12 (#peak 1371) &rst ixpk= 1371, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1817,1822, &end # # 125 GLU HA 126 ILE HN 3.01 (#peak 774) &rst ixpk= 774, nxpk= 0, iat=1830,1843, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 125 GLU HG2 126 ILE HA 5.14 (#peak 2165) &rst ixpk= 2165, nxpk= 0, iat=1835,1845, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 125 GLU HG3 126 ILE HN 4.62 (#peak 5252) &rst ixpk= 5252, nxpk= 0, iat=1836,1843, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 126 ILE HN 126 ILE HB 4.10 (#peak 173) &rst ixpk= 173, nxpk= 0, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 126 ILE HN 126 ILE HG12 4.45 (#peak 174) &rst ixpk= 174, nxpk= 0, iat=1843,1853, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 126 ILE HN 126 ILE QD1 4.73 (#peak 545) &rst ixpk= 545, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1856,1857,1858, &end # # 126 ILE HN 126 ILE QG2 4.17 (#peak 3968) &rst ixpk= 3968, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1849,1850,1851, &end # # 126 ILE HA 126 ILE QD1 3.25 (#peak 118) &rst ixpk= 118, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=1856,1857,1858, &end # # 126 ILE HA 126 ILE QG2 3.41 (#peak 3971) &rst ixpk= 3971, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=1849,1850,1851, &end # # 126 ILE QG2 126 ILE HG13 3.22 (#peak 1797) &rst ixpk= 1797, nxpk= 0, iat= -1,1854, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=1849,1850,1851, &end # # 126 ILE QG2 126 ILE QD1 2.69 (#peak 121) &rst ixpk= 121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1=1849,1850,1851, igr2=1856,1857,1858, &end # # 126 ILE QG2 128 SER HA 4.71 (#peak 5003) &rst ixpk= 5003, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1849,1850,1851, &end # # 126 ILE QG2 128 SER HB2 4.11 (#peak 4644) &rst ixpk= 4644, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1849,1850,1851, &end # # 126 ILE QG2 128 SER HB3 4.21 (#peak 4598) &rst ixpk= 4598, nxpk= 0, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=1849,1850,1851, &end # # 126 ILE QG2 129 LEU HN 3.49 (#peak 3969) &rst ixpk= 3969, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1=1849,1850,1851, &end # # 128 SER HA 129 LEU HA 5.34 (#peak 5015) &rst ixpk= 5015, nxpk= 0, iat=1881,1892, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 128 SER HB2 129 LEU HN 4.90 (#peak 4623) &rst ixpk= 4623, nxpk= 0, iat=1883,1890, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 129 LEU HN 129 LEU HG 4.79 (#peak 876) &rst ixpk= 876, nxpk= 0, iat=1890,1897, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 129 LEU HN 129 LEU QD1 4.54 (#peak 2603) &rst ixpk= 2603, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2=1899,1900,1901, &end # # 129 LEU HN 129 LEU QD2 4.44 (#peak 878) &rst ixpk= 878, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=1903,1904,1905, &end # # 129 LEU HA 129 LEU QD1 2.79 (#peak 2634) &rst ixpk= 2634, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr2=1899,1900,1901, &end # # 129 LEU HA 129 LEU QD2 4.39 (#peak 1826) &rst ixpk= 1826, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=1903,1904,1905, &end # # 129 LEU HA 129 LEU QQD 3.71 (#peak 1524) &rst ixpk= 1524, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1903,1904,1905,1899,1900,1901, &end # # 129 LEU HB2 129 LEU QD1 3.22 (#peak 2635) &rst ixpk= 2635, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=1899,1900,1901, &end # # 129 LEU HB2 129 LEU QD2 3.25 (#peak 3279) &rst ixpk= 3279, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=1903,1904,1905, &end # # 129 LEU HB3 129 LEU QD1 3.73 (#peak 2636) &rst ixpk= 2636, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1899,1900,1901, &end # # 129 LEU HB3 129 LEU QQD 3.02 (#peak 3974) &rst ixpk= 3974, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1903,1904,1905,1899,1900,1901, &end # # 132 TYR HA 132 TYR QD 3.90 (#peak 2293) &rst ixpk= 2293, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1942,1951, &end # # 132 TYR HA 133 VAL HA 5.13 (#peak 5336) &rst ixpk= 5336, nxpk= 0, iat=1936,1957, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 132 TYR HA 133 VAL HB 5.31 (#peak 5299) &rst ixpk= 5299, nxpk= 0, iat=1936,1959, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 132 TYR HB2 140 LEU QD1 5.31 (#peak 3235) &rst ixpk= 3235, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=2045,2046,2047, &end # # 132 TYR QD 133 VAL QG1 5.05 (#peak 1236) &rst ixpk= 1236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1942,1951, igr2=1961,1962,1963, &end # # 132 TYR QD 140 LEU QD1 3.54 (#peak 2014) &rst ixpk= 2014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1942,1951, igr2=2045,2046,2047, &end # # 132 TYR QD 140 LEU QD2 4.04 (#peak 2390) &rst ixpk= 2390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1942,1951, igr2=2049,2050,2051, &end # # 132 TYR QE 133 VAL QG1 5.49 (#peak 265) &rst ixpk= 265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr1=1944,1949, igr2=1961,1962,1963, &end # # 132 TYR QE 134 GLY HA2 4.53 (#peak 3172) &rst ixpk= 3172, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1944,1949, &end # # 132 TYR QE 134 GLY HA3 4.66 (#peak 3144) &rst ixpk= 3144, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1=1944,1949, &end # # 132 TYR QE 138 ALA QB 5.30 (#peak 1453) &rst ixpk= 1453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1944,1949, igr2=2016,2017,2018, &end # # 132 TYR QE 140 LEU QB 5.13 (#peak 1448) &rst ixpk= 1448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1=1944,1949, igr2=2040,2041, &end # # 132 TYR QE 140 LEU QD1 4.00 (#peak 1454) &rst ixpk= 1454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1944,1949, igr2=2045,2046,2047, &end # # 132 TYR QE 140 LEU QD2 4.61 (#peak 1455) &rst ixpk= 1455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=1944,1949, igr2=2049,2050,2051, &end # # 133 VAL HA 133 VAL QG1 3.44 (#peak 2543) &rst ixpk= 2543, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1961,1962,1963, &end # # 133 VAL HB 134 GLY HN 4.81 (#peak 89) &rst ixpk= 89, nxpk= 0, iat=1959,1971, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 133 VAL QG1 134 GLY HN 5.90 (#peak 1401) &rst ixpk= 1401, nxpk= 0, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=1961,1962,1963, &end # # 133 VAL QG1 136 ASP HB3 5.15 (#peak 4273) &rst ixpk= 4273, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1=1961,1962,1963, &end # # 133 VAL QG1 137 GLY HN 5.10 (#peak 1495) &rst ixpk= 1495, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1=1961,1962,1963, &end # # 133 VAL QG1 138 ALA HN 4.47 (#peak 426) &rst ixpk= 426, nxpk= 0, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1961,1962,1963, &end # # 133 VAL QG1 138 ALA QB 3.69 (#peak 3049) &rst ixpk= 3049, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1961,1962,1963, igr2=2016,2017,2018, &end # # 134 GLY HN 135 GLU QG 4.64 (#peak 5023) &rst ixpk= 5023, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1985,1986, &end # # 134 GLY HN 136 ASP HB2 5.35 (#peak 4209) &rst ixpk= 4209, nxpk= 0, iat=1971,1997, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 134 GLY HA2 138 ALA HN 4.92 (#peak 3121) &rst ixpk= 3121, nxpk= 0, iat=1973,2012, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 134 GLY HA2 140 LEU HN 4.56 (#peak 3106) &rst ixpk= 3106, nxpk= 0, iat=1973,2036, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 134 GLY HA2 140 LEU QD2 4.52 (#peak 3122) &rst ixpk= 3122, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=2049,2050,2051, &end # # 134 GLY HA3 136 ASP HN 5.35 (#peak 931) &rst ixpk= 931, nxpk= 0, iat=1974,1993, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 134 GLY HA3 138 ALA QB 4.24 (#peak 3488) &rst ixpk= 3488, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2=2016,2017,2018, &end # # 134 GLY HA3 140 LEU QD1 4.65 (#peak 3124) &rst ixpk= 3124, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=2045,2046,2047, &end # # 134 GLY HA3 140 LEU QD2 4.27 (#peak 2392) &rst ixpk= 2392, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=2049,2050,2051, &end # # 135 GLU HN 135 GLU HB3 3.98 (#peak 3506) &rst ixpk= 3506, nxpk= 0, iat=1978,1983, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 135 GLU HN 135 GLU QG 4.39 (#peak 5048) &rst ixpk= 5048, nxpk= 0, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2=1985,1986, &end # # 135 GLU HA 135 GLU QG 3.29 (#peak 3333) &rst ixpk= 3333, nxpk= 0, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=1985,1986, &end # # 135 GLU HA 136 ASP HN 3.56 (#peak 966) &rst ixpk= 966, nxpk= 0, iat=1980,1993, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 135 GLU HA 138 ALA QB 5.21 (#peak 136) &rst ixpk= 136, nxpk= 0, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2=2016,2017,2018, &end # # 135 GLU HB2 135 GLU QG 2.55 (#peak 5051) &rst ixpk= 5051, nxpk= 0, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, igr2=1985,1986, &end # # 135 GLU HB2 136 ASP HA 5.90 (#peak 547) &rst ixpk= 547, nxpk= 0, iat=1982,1995, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 135 GLU HB3 135 GLU QG 2.88 (#peak 3502) &rst ixpk= 3502, nxpk= 0, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr2=1985,1986, &end # # 135 GLU QG 136 ASP HB2 5.27 (#peak 3059) &rst ixpk= 3059, nxpk= 0, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1985,1986, &end # # 135 GLU QG 136 ASP HB3 5.21 (#peak 3124) &rst ixpk= 3124, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=1985,1986, &end # # 136 ASP HN 136 ASP HB2 3.40 (#peak 4233) &rst ixpk= 4233, nxpk= 0, iat=1993,1997, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 136 ASP HN 136 ASP HB3 3.81 (#peak 3118) &rst ixpk= 3118, nxpk= 0, iat=1993,1998, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 136 ASP HN 138 ALA HN 5.78 (#peak 964) &rst ixpk= 964, nxpk= 0, iat=1993,2012, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 136 ASP HA 136 ASP HB2 2.91 (#peak 4235) &rst ixpk= 4235, nxpk= 0, iat=1995,1997, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 136 ASP HA 138 ALA HN 5.72 (#peak 2169) &rst ixpk= 2169, nxpk= 0, iat=1995,2012, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 136 ASP HB2 137 GLY HN 4.65 (#peak 1493) &rst ixpk= 1493, nxpk= 0, iat=1997,2005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 136 ASP HB2 138 ALA HN 5.37 (#peak 418) &rst ixpk= 418, nxpk= 0, iat=1997,2012, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 136 ASP HB3 137 GLY HN 4.58 (#peak 1487) &rst ixpk= 1487, nxpk= 0, iat=1998,2005, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 136 ASP HB3 137 GLY HA2 5.90 (#peak 2437) &rst ixpk= 2437, nxpk= 0, iat=1998,2007, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 136 ASP HB3 138 ALA HN 5.60 (#peak 416) &rst ixpk= 416, nxpk= 0, iat=1998,2012, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 136 ASP HB3 138 ALA QB 4.67 (#peak 3523) &rst ixpk= 3523, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=2016,2017,2018, &end # # 137 GLY HN 138 ALA HN 3.58 (#peak 826) &rst ixpk= 826, nxpk= 0, iat=2005,2012, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 137 GLY HN 138 ALA QB 4.60 (#peak 1494) &rst ixpk= 1494, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=2016,2017,2018, &end # # 137 GLY HA3 138 ALA HA 5.25 (#peak 1327) &rst ixpk= 1327, nxpk= 0, iat=2008,2014, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 138 ALA HN 138 ALA QB 2.99 (#peak 3881) &rst ixpk= 3881, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=2016,2017,2018, &end # # 138 ALA HA 139 THR HN 3.13 (#peak 1326) &rst ixpk= 1326, nxpk= 0, iat=2014,2022, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 138 ALA QB 139 THR HN 3.42 (#peak 3506) &rst ixpk= 3506, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=2016,2017,2018, &end # # 138 ALA QB 139 THR HB 4.89 (#peak 2604) &rst ixpk= 2604, nxpk= 0, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=2016,2017,2018, &end # # 138 ALA QB 140 LEU HA 5.39 (#peak 671) &rst ixpk= 671, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=2016,2017,2018, &end # # 138 ALA QB 140 LEU QB 4.12 (#peak 3919) &rst ixpk= 3919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=2016,2017,2018, igr2=2040,2041, &end # # 138 ALA QB 140 LEU QD1 4.51 (#peak 3877) &rst ixpk= 3877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=2016,2017,2018, igr2=2045,2046,2047, &end # # 139 THR HN 140 LEU HN 5.48 (#peak 1282) &rst ixpk= 1282, nxpk= 0, iat=2022,2036, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 140 LEU HN 140 LEU QD1 4.95 (#peak 2030) &rst ixpk= 2030, nxpk= 0, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=2045,2046,2047, &end # # 140 LEU HN 140 LEU QD2 4.57 (#peak 2389) &rst ixpk= 2389, nxpk= 0, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=2049,2050,2051, &end # # 140 LEU HA 140 LEU QD1 4.10 (#peak 2326) &rst ixpk= 2326, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=2045,2046,2047, &end # # 140 LEU HA 140 LEU QD2 3.53 (#peak 663) &rst ixpk= 663, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=2049,2050,2051, &end # # 140 LEU QB 140 LEU QD1 3.09 (#peak 1386) &rst ixpk= 1386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1=2040,2041, igr2=2045,2046,2047, &end # # 140 LEU QB 140 LEU QD2 3.20 (#peak 1382) &rst ixpk= 1382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=2040,2041, igr2=2049,2050,2051, &end # # 140 LEU QB 141 THR HN 5.10 (#peak 1254) &rst ixpk= 1254, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=2040,2041, &end # # 140 LEU QD2 141 THR HN 4.90 (#peak 778) &rst ixpk= 778, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=2049,2050,2051, &end # # 141 THR HN 141 THR QG2 4.46 (#peak 2793) &rst ixpk= 2793, nxpk= 0, iat=2055, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2=2061,2062,2063, &end # # 141 THR HA 141 THR QG2 3.61 (#peak 2869) &rst ixpk= 2869, nxpk= 0, iat=2057, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=2061,2062,2063, &end # # 141 THR HA 143 SER HN 4.54 (#peak 1139) &rst ixpk= 1139, nxpk= 0, iat=2057,2076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 141 THR QG2 143 SER HN 5.90 (#peak 1138) &rst ixpk= 1138, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=2061,2062,2063, &end # # 141 THR QG2 143 SER QB 4.30 (#peak 4214) &rst ixpk= 4214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=2061,2062,2063, igr2=2080,2081, &end # # 143 SER HN 143 SER QB 4.11 (#peak 2589) &rst ixpk= 2589, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=2080,2081, &end # # 143 SER HN 144 LYS HN 5.90 (#peak 1135) &rst ixpk= 1135, nxpk= 0, iat=2076,2087, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 143 SER QB 144 LYS HN 4.57 (#peak 5484) &rst ixpk= 5484, nxpk= 0, iat= -1,2087, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=2080,2081, &end # # 143 SER QB 144 LYS QB 5.08 (#peak 4205) &rst ixpk= 4205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=2080,2081, igr2=2091,2092, &end # # 143 SER QB 166 ASN HD21 4.02 (#peak 4199) &rst ixpk= 4199, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1=2080,2081, &end # # 144 LYS HN 144 LYS QB 4.15 (#peak 3667) &rst ixpk= 3667, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=2091,2092, &end # # 144 LYS HN 144 LYS QG 4.40 (#peak 443) &rst ixpk= 443, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=2094,2095, &end # # 144 LYS HN 166 ASN HD21 5.90 (#peak 1631) &rst ixpk= 1631, nxpk= 0, iat=2087,2448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 144 LYS HN 167 THR HN 5.80 (#peak 1624) &rst ixpk= 1624, nxpk= 0, iat=2087,2453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 144 LYS HN 167 THR QG2 5.59 (#peak 1625) &rst ixpk= 1625, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr2=2459,2460,2461, &end # # 144 LYS HA 144 LYS QG 4.21 (#peak 4178) &rst ixpk= 4178, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=2094,2095, &end # # 144 LYS QB 145 ALA HN 4.91 (#peak 71) &rst ixpk= 71, nxpk= 0, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=2091,2092, &end # # 144 LYS QB 146 VAL HA 5.90 (#peak 5237) &rst ixpk= 5237, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=2091,2092, &end # # 144 LYS QB 167 THR HN 5.90 (#peak 1233) &rst ixpk= 1233, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=2091,2092, &end # # 144 LYS QD 146 VAL QG2 4.99 (#peak 1052) &rst ixpk= 1052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2097,2098, igr2=2129,2130,2131, &end # # 144 LYS QE 145 ALA HA 4.71 (#peak 1438) &rst ixpk= 1438, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=2100,2101, &end # # 144 LYS QE 146 VAL HA 4.83 (#peak 2074) &rst ixpk= 2074, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=2100,2101, &end # # 144 LYS QE 146 VAL QG1 4.92 (#peak 1460) &rst ixpk= 1460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=2100,2101, igr2=2125,2126,2127, &end # # 144 LYS QE 146 VAL QG2 4.14 (#peak 3946) &rst ixpk= 3946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=2100,2101, igr2=2129,2130,2131, &end # # 144 LYS QE 167 THR HN 5.23 (#peak 1251) &rst ixpk= 1251, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=2100,2101, &end # # 144 LYS QE 167 THR QG2 4.87 (#peak 3077) &rst ixpk= 3077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=2100,2101, igr2=2459,2460,2461, &end # # 144 LYS QE 168 GLU HN 5.19 (#peak 470) &rst ixpk= 470, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=2100,2101, &end # # 144 LYS QG 144 LYS QE 3.68 (#peak 3945) &rst ixpk= 3945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=2094,2095, igr2=2100,2101, &end # # 144 LYS QG 167 THR HN 5.90 (#peak 1234) &rst ixpk= 1234, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=2094,2095, &end # # 145 ALA HN 145 ALA QB 3.42 (#peak 3424) &rst ixpk= 3424, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=2113,2114,2115, &end # # 145 ALA HA 146 VAL HN 3.28 (#peak 1473) &rst ixpk= 1473, nxpk= 0, iat=2111,2119, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 145 ALA HA 146 VAL QG2 4.32 (#peak 1519) &rst ixpk= 1519, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=2129,2130,2131, &end # # 145 ALA HA 166 ASN HA 3.81 (#peak 1474) &rst ixpk= 1474, nxpk= 0, iat=2111,2441, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 145 ALA QB 146 VAL HN 3.66 (#peak 3393) &rst ixpk= 3393, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=2113,2114,2115, &end # # 145 ALA QB 164 PRO HB2 4.62 (#peak 432) &rst ixpk= 432, nxpk= 0, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=2113,2114,2115, &end # # 145 ALA QB 164 PRO HB3 4.56 (#peak 3426) &rst ixpk= 3426, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1=2113,2114,2115, &end # # 145 ALA QB 166 ASN HA 5.90 (#peak 5496) &rst ixpk= 5496, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=2113,2114,2115, &end # # 146 VAL HN 146 VAL HB 3.77 (#peak 216) &rst ixpk= 216, nxpk= 0, iat=2119,2123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 146 VAL HN 146 VAL QG1 3.73 (#peak 3039) &rst ixpk= 3039, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=2125,2126,2127, &end # # 146 VAL HN 146 VAL QG2 3.13 (#peak 3176) &rst ixpk= 3176, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2=2129,2130,2131, &end # # 146 VAL HN 165 LYS HN 5.90 (#peak 1623) &rst ixpk= 1623, nxpk= 0, iat=2119,2417, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 146 VAL HA 146 VAL QG1 3.13 (#peak 3065) &rst ixpk= 3065, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2=2125,2126,2127, &end # # 146 VAL HA 146 VAL QG2 3.19 (#peak 3177) &rst ixpk= 3177, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=2129,2130,2131, &end # # 146 VAL HA 147 PRO HD2 3.12 (#peak 1663) &rst ixpk= 1663, nxpk= 0, iat=2121,2136, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 146 VAL HA 147 PRO HD3 2.87 (#peak 2100) &rst ixpk= 2100, nxpk= 0, iat=2121,2137, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 146 VAL HB 147 PRO HD2 4.06 (#peak 1687) &rst ixpk= 1687, nxpk= 0, iat=2123,2136, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 146 VAL HB 147 PRO HD3 3.59 (#peak 1676) &rst ixpk= 1676, nxpk= 0, iat=2123,2137, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 146 VAL HB 167 THR QG2 4.22 (#peak 2861) &rst ixpk= 2861, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=2459,2460,2461, &end # # 146 VAL QG1 147 PRO HD2 3.67 (#peak 1666) &rst ixpk= 1666, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2125,2126,2127, &end # # 146 VAL QG1 147 PRO HD3 3.47 (#peak 1675) &rst ixpk= 1675, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1=2125,2126,2127, &end # # 146 VAL QG1 166 ASN HA 4.40 (#peak 1841) &rst ixpk= 1841, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=2125,2126,2127, &end # # 146 VAL QG1 167 THR HN 4.64 (#peak 2949) &rst ixpk= 2949, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=2125,2126,2127, &end # # 146 VAL QG1 167 THR HA 5.90 (#peak 5497) &rst ixpk= 5497, nxpk= 0, iat= -1,2455, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=2125,2126,2127, &end # # 146 VAL QG2 147 PRO HD2 3.93 (#peak 3179) &rst ixpk= 3179, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2129,2130,2131, &end # # 146 VAL QG2 165 LYS HN 4.55 (#peak 3154) &rst ixpk= 3154, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=2129,2130,2131, &end # # 146 VAL QG2 165 LYS HB2 5.08 (#peak 73) &rst ixpk= 73, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1=2129,2130,2131, &end # # 146 VAL QG2 166 ASN HN 4.95 (#peak 3219) &rst ixpk= 3219, nxpk= 0, iat= -1,2439, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=2129,2130,2131, &end # # 146 VAL QG2 166 ASN HA 4.37 (#peak 3220) &rst ixpk= 3220, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=2129,2130,2131, &end # # 146 VAL QG2 167 THR HN 5.64 (#peak 1235) &rst ixpk= 1235, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=2129,2130,2131, &end # # 146 VAL QG2 167 THR HA 4.86 (#peak 4851) &rst ixpk= 4851, nxpk= 0, iat= -1,2455, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=2129,2130,2131, &end # # 146 VAL QG2 167 THR HB 4.97 (#peak 2642) &rst ixpk= 2642, nxpk= 0, iat= -1,2457, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=2129,2130,2131, &end # # 146 VAL QG2 167 THR QG2 3.18 (#peak 2763) &rst ixpk= 2763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=2129,2130,2131, igr2=2459,2460,2461, &end # # 146 VAL QG2 168 GLU HN 5.75 (#peak 469) &rst ixpk= 469, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1=2129,2130,2131, &end # # 147 PRO HA 148 ILE HN 2.76 (#peak 509) &rst ixpk= 509, nxpk= 0, iat=2145,2149, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 147 PRO HB2 148 ILE HN 4.09 (#peak 782) &rst ixpk= 782, nxpk= 0, iat=2142,2149, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 147 PRO HB3 148 ILE HN 4.26 (#peak 790) &rst ixpk= 790, nxpk= 0, iat=2143,2149, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 148 ILE HN 148 ILE HB 3.56 (#peak 489) &rst ixpk= 489, nxpk= 0, iat=2149,2153, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 148 ILE HN 148 ILE HG12 4.56 (#peak 3756) &rst ixpk= 3756, nxpk= 0, iat=2149,2159, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 148 ILE HN 148 ILE HG13 4.08 (#peak 1458) &rst ixpk= 1458, nxpk= 0, iat=2149,2160, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 148 ILE HN 148 ILE QD1 3.95 (#peak 621) &rst ixpk= 621, nxpk= 0, iat=2149, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=2162,2163,2164, &end # # 148 ILE HA 148 ILE HG12 3.96 (#peak 1447) &rst ixpk= 1447, nxpk= 0, iat=2151,2159, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 148 ILE HA 148 ILE HG13 3.91 (#peak 5133) &rst ixpk= 5133, nxpk= 0, iat=2151,2160, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 148 ILE HA 148 ILE QD1 5.90 (#peak 4856) &rst ixpk= 4856, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2162,2163,2164, &end # # 148 ILE HA 148 ILE QG2 3.15 (#peak 4108) &rst ixpk= 4108, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=2155,2156,2157, &end # # 148 ILE HA 149 GLU HN 3.01 (#peak 5098) &rst ixpk= 5098, nxpk= 0, iat=2151,2168, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 148 ILE HA 149 GLU HA 4.59 (#peak 5097) &rst ixpk= 5097, nxpk= 0, iat=2151,2170, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 148 ILE HA 149 GLU HB3 5.17 (#peak 781) &rst ixpk= 781, nxpk= 0, iat=2151,2173, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 148 ILE HG12 164 PRO HA 5.11 (#peak 1446) &rst ixpk= 1446, nxpk= 0, iat=2159,2413, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 148 ILE HG12 164 PRO HB2 4.71 (#peak 1448) &rst ixpk= 1448, nxpk= 0, iat=2159,2410, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 148 ILE HG13 164 PRO HA 4.18 (#peak 4225) &rst ixpk= 4225, nxpk= 0, iat=2160,2413, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 148 ILE HG13 164 PRO HB2 4.58 (#peak 461) &rst ixpk= 461, nxpk= 0, iat=2160,2410, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 148 ILE HG13 164 PRO HB3 4.42 (#peak 438) &rst ixpk= 438, nxpk= 0, iat=2160,2411, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 148 ILE QD1 149 GLU HN 5.90 (#peak 4853) &rst ixpk= 4853, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HA 3.83 (#peak 4651) &rst ixpk= 4651, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HB2 3.90 (#peak 462) &rst ixpk= 462, nxpk= 0, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HB3 4.07 (#peak 4495) &rst ixpk= 4495, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HD2 5.04 (#peak 4640) &rst ixpk= 4640, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HD3 4.22 (#peak 2807) &rst ixpk= 2807, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HG2 4.36 (#peak 1523) &rst ixpk= 1523, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=2162,2163,2164, &end # # 148 ILE QD1 164 PRO HG3 4.02 (#peak 4671) &rst ixpk= 4671, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=2162,2163,2164, &end # # 148 ILE QG2 149 GLU HN 3.14 (#peak 4105) &rst ixpk= 4105, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2155,2156,2157, &end # # 148 ILE QG2 164 PRO HA 4.31 (#peak 4107) &rst ixpk= 4107, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=2155,2156,2157, &end # # 149 GLU HN 149 GLU HB2 3.76 (#peak 211) &rst ixpk= 211, nxpk= 0, iat=2168,2172, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 149 GLU HN 149 GLU HB3 3.61 (#peak 739) &rst ixpk= 739, nxpk= 0, iat=2168,2173, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 149 GLU HN 149 GLU QG 4.21 (#peak 215) &rst ixpk= 215, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=2175,2176, &end # # 149 GLU HN 150 ILE HN 4.76 (#peak 385) &rst ixpk= 385, nxpk= 0, iat=2168,2183, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 149 GLU HA 149 GLU QG 3.94 (#peak 1923) &rst ixpk= 1923, nxpk= 0, iat=2170, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=2175,2176, &end # # 149 GLU HA 150 ILE HN 3.35 (#peak 526) &rst ixpk= 526, nxpk= 0, iat=2170,2183, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 149 GLU HA 150 ILE QG2 4.34 (#peak 4223) &rst ixpk= 4223, nxpk= 0, iat=2170, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=2189,2190,2191, &end # # 149 GLU HB2 150 ILE HN 4.32 (#peak 528) &rst ixpk= 528, nxpk= 0, iat=2172,2183, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 149 GLU HB2 150 ILE QG2 5.90 (#peak 758) &rst ixpk= 758, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2189,2190,2191, &end # # 149 GLU HB3 150 ILE HN 4.52 (#peak 738) &rst ixpk= 738, nxpk= 0, iat=2173,2183, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 149 GLU HB3 150 ILE QG2 5.90 (#peak 742) &rst ixpk= 742, nxpk= 0, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2189,2190,2191, &end # # 150 ILE HN 121 TYR O 2.4 &rst ixpk= 742, nxpk= 0, iat=2183,1764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 150 ILE HN 150 ILE HB 4.04 (#peak 529) &rst ixpk= 529, nxpk= 0, iat=2183,2187, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 150 ILE HN 150 ILE HG12 4.61 (#peak 1430) &rst ixpk= 1430, nxpk= 0, iat=2183,2193, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 150 ILE HN 150 ILE HG13 4.97 (#peak 1464) &rst ixpk= 1464, nxpk= 0, iat=2183,2194, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 150 ILE HN 150 ILE QD1 5.90 (#peak 1590) &rst ixpk= 1590, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2196,2197,2198, &end # # 150 ILE HN 150 ILE QG2 3.31 (#peak 4220) &rst ixpk= 4220, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=2189,2190,2191, &end # # 150 ILE HN 151 GLU HN 4.86 (#peak 198) &rst ixpk= 198, nxpk= 0, iat=2183,2202, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 150 ILE HA 150 ILE HG12 3.54 (#peak 1454) &rst ixpk= 1454, nxpk= 0, iat=2185,2193, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 150 ILE HA 150 ILE HG13 4.11 (#peak 1465) &rst ixpk= 1465, nxpk= 0, iat=2185,2194, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 150 ILE HA 150 ILE QD1 3.93 (#peak 4500) &rst ixpk= 4500, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2196,2197,2198, &end # # 150 ILE HA 150 ILE QG2 3.59 (#peak 5349) &rst ixpk= 5349, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=2189,2190,2191, &end # # 150 ILE HA 151 GLU HN 2.90 (#peak 5366) &rst ixpk= 5366, nxpk= 0, iat=2185,2202, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 150 ILE HA 151 GLU HA 4.67 (#peak 460) &rst ixpk= 460, nxpk= 0, iat=2185,2204, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 150 ILE HA 151 GLU HB2 4.90 (#peak 560) &rst ixpk= 560, nxpk= 0, iat=2185,2206, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 150 ILE HB 151 GLU HN 5.90 (#peak 5387) &rst ixpk= 5387, nxpk= 0, iat=2187,2202, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 150 ILE HG12 151 GLU HN 3.41 (#peak 204) &rst ixpk= 204, nxpk= 0, iat=2193,2202, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 150 ILE HG13 151 GLU HN 4.09 (#peak 1433) &rst ixpk= 1433, nxpk= 0, iat=2194,2202, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 150 ILE N 121 TYR O 3.3 &rst ixpk= 1433, nxpk= 0, iat=2182,1764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 150 ILE QD1 151 GLU HN 4.12 (#peak 4478) &rst ixpk= 4478, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2196,2197,2198, &end # # 150 ILE QG2 150 ILE QD1 2.56 (#peak 4501) &rst ixpk= 4501, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1=2189,2190,2191, igr2=2196,2197,2198, &end # # 150 ILE QG2 151 GLU HN 4.06 (#peak 4262) &rst ixpk= 4262, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=2189,2190,2191, &end # # 151 GLU HN 151 GLU HB2 3.65 (#peak 202) &rst ixpk= 202, nxpk= 0, iat=2202,2206, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 151 GLU HN 151 GLU HB3 3.72 (#peak 203) &rst ixpk= 203, nxpk= 0, iat=2202,2207, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 151 GLU HN 151 GLU QG 4.17 (#peak 731) &rst ixpk= 731, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=2209,2210, &end # # 151 GLU HA 151 GLU QG 3.46 (#peak 875) &rst ixpk= 875, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=2209,2210, &end # # 151 GLU HA 152 LEU HN 3.17 (#peak 873) &rst ixpk= 873, nxpk= 0, iat=2204,2217, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 151 GLU QG 152 LEU HN 3.56 (#peak 5053) &rst ixpk= 5053, nxpk= 0, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=2209,2210, &end # # 152 LEU HN 152 LEU HB2 3.83 (#peak 682) &rst ixpk= 682, nxpk= 0, iat=2217,2221, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 152 LEU HN 152 LEU HG 4.56 (#peak 1537) &rst ixpk= 1537, nxpk= 0, iat=2217,2224, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 152 LEU HN 152 LEU QD1 4.40 (#peak 2354) &rst ixpk= 2354, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2226,2227,2228, &end # # 152 LEU HN 152 LEU QD2 4.70 (#peak 1655) &rst ixpk= 1655, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=2230,2231,2232, &end # # 152 LEU HA 152 LEU QD1 4.32 (#peak 2366) &rst ixpk= 2366, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=2226,2227,2228, &end # # 152 LEU HA 152 LEU QD2 4.21 (#peak 1972) &rst ixpk= 1972, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=2230,2231,2232, &end # # 152 LEU HB2 152 LEU QD1 4.14 (#peak 2314) &rst ixpk= 2314, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=2226,2227,2228, &end # # 152 LEU HB3 152 LEU QD1 4.08 (#peak 2318) &rst ixpk= 2318, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2=2226,2227,2228, &end # # 152 LEU HB3 152 LEU QD2 3.43 (#peak 1592) &rst ixpk= 1592, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=2230,2231,2232, &end # # 152 LEU HB3 153 PRO HA 5.05 (#peak 3580) &rst ixpk= 3580, nxpk= 0, iat=2222,2246, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 152 LEU HB3 154 LEU HN 5.43 (#peak 380) &rst ixpk= 380, nxpk= 0, iat=2222,2250, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 153 PRO HA 154 LEU HN 3.44 (#peak 4521) &rst ixpk= 4521, nxpk= 0, iat=2246,2250, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 153 PRO HB3 154 LEU HN 4.67 (#peak 5361) &rst ixpk= 5361, nxpk= 0, iat=2244,2250, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 154 LEU HN 154 LEU HB2 3.97 (#peak 4039) &rst ixpk= 4039, nxpk= 0, iat=2250,2254, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 154 LEU HN 154 LEU HB3 3.83 (#peak 4043) &rst ixpk= 4043, nxpk= 0, iat=2250,2255, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 154 LEU HN 154 LEU HG 5.08 (#peak 3607) &rst ixpk= 3607, nxpk= 0, iat=2250,2257, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 154 LEU HN 154 LEU QQD 3.92 (#peak 378) &rst ixpk= 378, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2263,2264,2265,2259,2260,2261, &end # # 154 LEU HN 155 ASN HN 4.96 (#peak 367) &rst ixpk= 367, nxpk= 0, iat=2250,2269, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 154 LEU HA 154 LEU HG 3.73 (#peak 1367) &rst ixpk= 1367, nxpk= 0, iat=2252,2257, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 154 LEU HA 154 LEU QQD 3.01 (#peak 2102) &rst ixpk= 2102, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=2263,2264,2265,2259,2260,2261, &end # # 154 LEU HA 155 ASN HN 3.15 (#peak 974) &rst ixpk= 974, nxpk= 0, iat=2252,2269, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 154 LEU HB2 154 LEU QQD 3.62 (#peak 4042) &rst ixpk= 4042, nxpk= 0, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=2263,2264,2265,2259,2260,2261, &end # # 154 LEU HB2 155 ASN HN 4.77 (#peak 705) &rst ixpk= 705, nxpk= 0, iat=2254,2269, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 154 LEU HB3 154 LEU QQD 3.20 (#peak 4048) &rst ixpk= 4048, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=2263,2264,2265,2259,2260,2261, &end # # 154 LEU HB3 155 ASN HN 4.74 (#peak 692) &rst ixpk= 692, nxpk= 0, iat=2255,2269, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 155 ASN HN 155 ASN QB 3.96 (#peak 691) &rst ixpk= 691, nxpk= 0, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=2273,2274, &end # # 155 ASN HN 157 VAL QG2 4.44 (#peak 693) &rst ixpk= 693, nxpk= 0, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=2305,2306,2307, &end # # 155 ASN HA 155 ASN HD21 4.70 (#peak 955) &rst ixpk= 955, nxpk= 0, iat=2271,2278, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 155 ASN HA 155 ASN HD22 5.80 (#peak 1250) &rst ixpk= 1250, nxpk= 0, iat=2271,2279, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 155 ASN HA 157 VAL QG2 5.66 (#peak 804) &rst ixpk= 804, nxpk= 0, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr2=2305,2306,2307, &end # # 155 ASN HB2 155 ASN HD21 3.89 (#peak 4710) &rst ixpk= 4710, nxpk= 0, iat=2273,2278, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 155 ASN HB2 156 ASP HN 4.82 (#peak 4708) &rst ixpk= 4708, nxpk= 0, iat=2273,2283, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 155 ASN HB2 157 VAL QG1 4.02 (#peak 4709) &rst ixpk= 4709, nxpk= 0, iat=2273, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=2301,2302,2303, &end # # 155 ASN HB2 157 VAL QG2 5.09 (#peak 4675) &rst ixpk= 4675, nxpk= 0, iat=2273, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=2305,2306,2307, &end # # 155 ASN HB3 155 ASN HD21 3.63 (#peak 4715) &rst ixpk= 4715, nxpk= 0, iat=2274,2278, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 155 ASN HB3 156 ASP HN 4.85 (#peak 4714) &rst ixpk= 4714, nxpk= 0, iat=2274,2283, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 155 ASN HB3 157 VAL QG1 3.81 (#peak 2728) &rst ixpk= 2728, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=2301,2302,2303, &end # # 155 ASN HB3 157 VAL QG2 4.91 (#peak 4679) &rst ixpk= 4679, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=2305,2306,2307, &end # # 155 ASN HD21 156 ASP HN 5.90 (#peak 1236) &rst ixpk= 1236, nxpk= 0, iat=2278,2283, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 155 ASN HD21 157 VAL QG2 5.13 (#peak 1242) &rst ixpk= 1242, nxpk= 0, iat=2278, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=2305,2306,2307, &end # # 155 ASN HD22 157 VAL QG1 5.70 (#peak 151) &rst ixpk= 151, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=2301,2302,2303, &end # # 155 ASN HD22 157 VAL QG2 5.12 (#peak 1191) &rst ixpk= 1191, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=2305,2306,2307, &end # # 155 ASN QB 155 ASN HD21 3.99 (#peak 1238) &rst ixpk= 1238, nxpk= 0, iat= -1,2278, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=2273,2274, &end # # 155 ASN QB 156 ASP HN 3.96 (#peak 2984) &rst ixpk= 2984, nxpk= 0, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=2273,2274, &end # # 155 ASN QB 157 VAL HN 4.42 (#peak 628) &rst ixpk= 628, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1=2273,2274, &end # # 155 ASN QB 157 VAL QG2 4.59 (#peak 4292) &rst ixpk= 4292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=2273,2274, igr2=2305,2306,2307, &end # # 156 ASP HN 156 ASP QB 3.78 (#peak 790) &rst ixpk= 790, nxpk= 0, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=2287,2288, &end # # 156 ASP HN 157 VAL HN 4.84 (#peak 762) &rst ixpk= 762, nxpk= 0, iat=2283,2295, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 156 ASP HN 157 VAL QG1 4.13 (#peak 4108) &rst ixpk= 4108, nxpk= 0, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=2301,2302,2303, &end # # 156 ASP QB 157 VAL HN 4.07 (#peak 635) &rst ixpk= 635, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=2287,2288, &end # # 156 ASP QB 157 VAL HA 4.53 (#peak 2571) &rst ixpk= 2571, nxpk= 0, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=2287,2288, &end # # 156 ASP QB 157 VAL QG1 4.80 (#peak 3078) &rst ixpk= 3078, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=2287,2288, igr2=2301,2302,2303, &end # # 157 VAL HN 157 VAL HB 3.75 (#peak 420) &rst ixpk= 420, nxpk= 0, iat=2295,2299, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 157 VAL HN 157 VAL QG1 2.97 (#peak 2730) &rst ixpk= 2730, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2=2301,2302,2303, &end # # 157 VAL HN 157 VAL QG2 4.00 (#peak 2657) &rst ixpk= 2657, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=2305,2306,2307, &end # # 157 VAL HN 158 VAL HN 5.14 (#peak 3) &rst ixpk= 3, nxpk= 0, iat=2295,2311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 157 VAL HA 157 VAL QG1 2.90 (#peak 2695) &rst ixpk= 2695, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=2301,2302,2303, &end # # 157 VAL HA 157 VAL QG2 3.16 (#peak 4422) &rst ixpk= 4422, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=2305,2306,2307, &end # # 157 VAL HA 158 VAL HN 3.06 (#peak 4439) &rst ixpk= 4439, nxpk= 0, iat=2297,2311, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 157 VAL HA 158 VAL HB 4.84 (#peak 291) &rst ixpk= 291, nxpk= 0, iat=2297,2315, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 157 VAL HA 158 VAL QQG 3.49 (#peak 2568) &rst ixpk= 2568, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=2317,2318,2319,2321,2322,2323, &end # # 157 VAL HA 159 ASP HN 4.12 (#peak 957) &rst ixpk= 957, nxpk= 0, iat=2297,2327, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 157 VAL HB 158 VAL HN 4.65 (#peak 384) &rst ixpk= 384, nxpk= 0, iat=2299,2311, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 157 VAL HB 159 ASP HN 5.30 (#peak 1063) &rst ixpk= 1063, nxpk= 0, iat=2299,2327, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 157 VAL HB 160 ALA QB 5.39 (#peak 2549) &rst ixpk= 2549, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=2343,2344,2345, &end # # 157 VAL QG1 158 VAL HN 4.03 (#peak 2654) &rst ixpk= 2654, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=2301,2302,2303, &end # # 157 VAL QG1 160 ALA HA 5.90 (#peak 1619) &rst ixpk= 1619, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=2301,2302,2303, &end # # 157 VAL QG2 158 VAL HN 3.81 (#peak 2656) &rst ixpk= 2656, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=2305,2306,2307, &end # # 157 VAL QG2 159 ASP HN 3.28 (#peak 2658) &rst ixpk= 2658, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=2305,2306,2307, &end # # 157 VAL QG2 159 ASP HA 4.45 (#peak 1775) &rst ixpk= 1775, nxpk= 0, iat= -1,2329, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=2305,2306,2307, &end # # 157 VAL QG2 159 ASP QB 4.57 (#peak 3966) &rst ixpk= 3966, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=2305,2306,2307, igr2=2331,2332, &end # # 157 VAL QG2 160 ALA HA 3.10 (#peak 2631) &rst ixpk= 2631, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1=2305,2306,2307, &end # # 157 VAL QG2 160 ALA QB 3.22 (#peak 2558) &rst ixpk= 2558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=2305,2306,2307, igr2=2343,2344,2345, &end # # 157 VAL QG2 161 HIS HN 4.75 (#peak 2655) &rst ixpk= 2655, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=2305,2306,2307, &end # # 157 VAL QG2 161 HIS HD2 4.58 (#peak 111) &rst ixpk= 111, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=2305,2306,2307, &end # # 158 VAL HN 158 VAL HB 3.37 (#peak 492) &rst ixpk= 492, nxpk= 0, iat=2311,2315, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 158 VAL HN 158 VAL QQG 2.89 (#peak 2843) &rst ixpk= 2843, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=2317,2318,2319,2321,2322,2323, &end # # 158 VAL HN 159 ASP HN 3.54 (#peak 1060) &rst ixpk= 1060, nxpk= 0, iat=2311,2327, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 158 VAL HN 159 ASP QB 5.35 (#peak 504) &rst ixpk= 504, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2=2331,2332, &end # # 158 VAL HA 158 VAL QQG 2.75 (#peak 2871) &rst ixpk= 2871, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2=2317,2318,2319,2321,2322,2323, &end # # 158 VAL HB 159 ASP HN 3.36 (#peak 1064) &rst ixpk= 1064, nxpk= 0, iat=2315,2327, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 158 VAL HB 159 ASP HA 5.90 (#peak 1770) &rst ixpk= 1770, nxpk= 0, iat=2315,2329, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 158 VAL HB 159 ASP QB 4.90 (#peak 3949) &rst ixpk= 3949, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=2331,2332, &end # # 158 VAL QQG 159 ASP HN 3.42 (#peak 2948) &rst ixpk= 2948, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=2317,2318,2319,2321,2322,2323, &end # # 158 VAL QQG 159 ASP HA 4.12 (#peak 1346) &rst ixpk= 1346, nxpk= 0, iat= -1,2329, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=2317,2318,2319,2321,2322,2323, &end # # 158 VAL QQG 159 ASP QB 3.98 (#peak 3952) &rst ixpk= 3952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1=2317,2318,2319,2321,2322,2323, igr2=2331,2332, &end # # 159 ASP HN 159 ASP QB 3.41 (#peak 3947) &rst ixpk= 3947, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=2331,2332, &end # # 159 ASP HN 160 ALA HN 5.01 (#peak 500) &rst ixpk= 500, nxpk= 0, iat=2327,2339, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 159 ASP HN 160 ALA HA 5.06 (#peak 1858) &rst ixpk= 1858, nxpk= 0, iat=2327,2341, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 159 ASP HN 160 ALA QB 5.26 (#peak 1065) &rst ixpk= 1065, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr2=2343,2344,2345, &end # # 159 ASP HA 160 ALA HN 3.16 (#peak 1378) &rst ixpk= 1378, nxpk= 0, iat=2329,2339, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 159 ASP HA 160 ALA QB 4.47 (#peak 1345) &rst ixpk= 1345, nxpk= 0, iat=2329, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=2343,2344,2345, &end # # 159 ASP QB 160 ALA HN 4.25 (#peak 3200) &rst ixpk= 3200, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=2331,2332, &end # # 160 ALA HN 160 ALA QB 3.04 (#peak 2552) &rst ixpk= 2552, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2=2343,2344,2345, &end # # 160 ALA HN 161 HIS HN 5.38 (#peak 90) &rst ixpk= 90, nxpk= 0, iat=2339,2349, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 160 ALA HA 161 HIS HN 3.27 (#peak 1658) &rst ixpk= 1658, nxpk= 0, iat=2341,2349, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 160 ALA HA 161 HIS HD2 3.59 (#peak 1859) &rst ixpk= 1859, nxpk= 0, iat=2341,2362, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 160 ALA QB 161 HIS HN 3.28 (#peak 2550) &rst ixpk= 2550, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=2343,2344,2345, &end # # 160 ALA QB 161 HIS HA 3.95 (#peak 1774) &rst ixpk= 1774, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=2343,2344,2345, &end # # 160 ALA QB 161 HIS HD2 4.61 (#peak 2528) &rst ixpk= 2528, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=2343,2344,2345, &end # # 161 HIS HN 161 HIS HD2 3.91 (#peak 91) &rst ixpk= 91, nxpk= 0, iat=2349,2362, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 161 HIS HN 162 VAL HN 5.35 (#peak 1104) &rst ixpk= 1104, nxpk= 0, iat=2349,2366, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 161 HIS HN 163 TYR QE 5.71 (#peak 1494) &rst ixpk= 1494, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2=2392,2397, &end # # 161 HIS HA 161 HIS HD2 4.12 (#peak 1117) &rst ixpk= 1117, nxpk= 0, iat=2351,2362, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 161 HIS HA 161 HIS HE1 5.90 (#peak 17) &rst ixpk= 17, nxpk= 0, iat=2351,2359, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 161 HIS HA 162 VAL HN 3.20 (#peak 394) &rst ixpk= 394, nxpk= 0, iat=2351,2366, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 161 HIS HA 162 VAL HA 4.67 (#peak 396) &rst ixpk= 396, nxpk= 0, iat=2351,2368, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 161 HIS HA 162 VAL QG1 5.57 (#peak 1781) &rst ixpk= 1781, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2=2372,2373,2374, &end # # 161 HIS HA 162 VAL QG2 3.91 (#peak 4533) &rst ixpk= 4533, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=2376,2377,2378, &end # # 161 HIS HB2 162 VAL HN 4.41 (#peak 1111) &rst ixpk= 1111, nxpk= 0, iat=2353,2366, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 161 HIS HB2 163 TYR QE 4.58 (#peak 1510) &rst ixpk= 1510, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=2392,2397, &end # # 161 HIS HB3 162 VAL HN 4.70 (#peak 5343) &rst ixpk= 5343, nxpk= 0, iat=2354,2366, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 161 HIS HB3 162 VAL QG2 5.31 (#peak 3111) &rst ixpk= 3111, nxpk= 0, iat=2354, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=2376,2377,2378, &end # # 161 HIS HB3 163 TYR QE 4.57 (#peak 1511) &rst ixpk= 1511, nxpk= 0, iat=2354, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=2392,2397, &end # # 161 HIS HD2 163 TYR QE 5.08 (#peak 4857) &rst ixpk= 4857, nxpk= 0, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=2392,2397, &end # # 162 VAL HN 162 VAL QG1 4.18 (#peak 277) &rst ixpk= 277, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2372,2373,2374, &end # # 162 VAL HN 162 VAL QG2 3.24 (#peak 3191) &rst ixpk= 3191, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=2376,2377,2378, &end # # 162 VAL HN 163 TYR QD 5.33 (#peak 1101) &rst ixpk= 1101, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=2390,2399, &end # # 162 VAL HN 163 TYR QE 5.68 (#peak 1100) &rst ixpk= 1100, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=2392,2397, &end # # 162 VAL HA 162 VAL QG1 3.19 (#peak 2925) &rst ixpk= 2925, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=2372,2373,2374, &end # # 162 VAL HA 162 VAL QG2 3.56 (#peak 3193) &rst ixpk= 3193, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=2376,2377,2378, &end # # 162 VAL HA 163 TYR QD 3.81 (#peak 1978) &rst ixpk= 1978, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=2390,2399, &end # # 162 VAL HA 163 TYR QE 5.70 (#peak 1979) &rst ixpk= 1979, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=2392,2397, &end # # 162 VAL HB 163 TYR HN 4.15 (#peak 314) &rst ixpk= 314, nxpk= 0, iat=2370,2382, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 162 VAL QG1 163 TYR HN 3.68 (#peak 316) &rst ixpk= 316, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=2372,2373,2374, &end # # 162 VAL QG1 163 TYR QD 4.69 (#peak 1330) &rst ixpk= 1330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=2372,2373,2374, igr2=2390,2399, &end # # 162 VAL QG1 164 PRO HD3 4.12 (#peak 2962) &rst ixpk= 2962, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2372,2373,2374, &end # # 162 VAL QG2 163 TYR HA 5.76 (#peak 798) &rst ixpk= 798, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1=2376,2377,2378, &end # # 162 VAL QG2 164 PRO HD3 4.80 (#peak 3133) &rst ixpk= 3133, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=2376,2377,2378, &end # # 163 TYR HN 163 TYR QD 3.73 (#peak 319) &rst ixpk= 319, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=2390,2399, &end # # 163 TYR HN 163 TYR QE 5.59 (#peak 572) &rst ixpk= 572, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2=2392,2397, &end # # 163 TYR HN 164 PRO HD3 5.90 (#peak 564) &rst ixpk= 564, nxpk= 0, iat=2382,2405, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 163 TYR HA 163 TYR QD 3.93 (#peak 763) &rst ixpk= 763, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=2390,2399, &end # # 163 TYR HA 163 TYR QE 5.07 (#peak 472) &rst ixpk= 472, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=2392,2397, &end # # 163 TYR HA 164 PRO HD2 3.43 (#peak 1802) &rst ixpk= 1802, nxpk= 0, iat=2384,2404, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 163 TYR HA 164 PRO HD3 3.50 (#peak 5451) &rst ixpk= 5451, nxpk= 0, iat=2384,2405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 163 TYR HA 164 PRO HG2 4.81 (#peak 719) &rst ixpk= 719, nxpk= 0, iat=2384,2407, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 163 TYR HA 164 PRO HG3 5.20 (#peak 767) &rst ixpk= 767, nxpk= 0, iat=2384,2408, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 163 TYR HA 165 LYS QG 5.36 (#peak 479) &rst ixpk= 479, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=2424,2425, &end # # 163 TYR HB2 164 PRO HD2 5.01 (#peak 4306) &rst ixpk= 4306, nxpk= 0, iat=2386,2404, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 163 TYR HB3 164 PRO HD2 4.69 (#peak 1803) &rst ixpk= 1803, nxpk= 0, iat=2387,2404, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 163 TYR HB3 164 PRO HD3 4.99 (#peak 1816) &rst ixpk= 1816, nxpk= 0, iat=2387,2405, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 163 TYR QD 164 PRO HD2 4.91 (#peak 1801) &rst ixpk= 1801, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=2390,2399, &end # # 163 TYR QD 164 PRO HD3 5.22 (#peak 1813) &rst ixpk= 1813, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=2390,2399, &end # # 164 PRO HA 165 LYS HN 3.16 (#peak 4536) &rst ixpk= 4536, nxpk= 0, iat=2413,2417, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 164 PRO HA 165 LYS QG 4.93 (#peak 2197) &rst ixpk= 2197, nxpk= 0, iat=2413, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=2424,2425, &end # # 164 PRO HB2 165 LYS HN 4.31 (#peak 457) &rst ixpk= 457, nxpk= 0, iat=2410,2417, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 164 PRO HB3 165 LYS HN 4.40 (#peak 435) &rst ixpk= 435, nxpk= 0, iat=2411,2417, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 165 LYS HN 165 LYS HB3 3.94 (#peak 58) &rst ixpk= 58, nxpk= 0, iat=2417,2422, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 165 LYS HN 165 LYS QE 4.83 (#peak 3977) &rst ixpk= 3977, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=2430,2431, &end # # 165 LYS HN 165 LYS QG 3.89 (#peak 2223) &rst ixpk= 2223, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=2424,2425, &end # # 165 LYS HA 165 LYS QD 4.33 (#peak 1173) &rst ixpk= 1173, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=2427,2428, &end # # 165 LYS HA 165 LYS QE 5.12 (#peak 640) &rst ixpk= 640, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=2430,2431, &end # # 165 LYS HA 165 LYS QG 3.79 (#peak 659) &rst ixpk= 659, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=2424,2425, &end # # 165 LYS HA 166 ASN HN 3.55 (#peak 654) &rst ixpk= 654, nxpk= 0, iat=2419,2439, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 165 LYS HB2 165 LYS QE 4.53 (#peak 72) &rst ixpk= 72, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=2430,2431, &end # # 165 LYS HB2 166 ASN HN 4.55 (#peak 55) &rst ixpk= 55, nxpk= 0, iat=2421,2439, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 165 LYS HB3 165 LYS QE 4.45 (#peak 91) &rst ixpk= 91, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2=2430,2431, &end # # 165 LYS HB3 166 ASN HN 3.99 (#peak 3636) &rst ixpk= 3636, nxpk= 0, iat=2422,2439, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 165 LYS QG 165 LYS QE 3.32 (#peak 2241) &rst ixpk= 2241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1=2424,2425, igr2=2430,2431, &end # # 165 LYS QG 166 ASN HN 4.78 (#peak 886) &rst ixpk= 886, nxpk= 0, iat= -1,2439, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=2424,2425, &end # # 166 ASN HN 166 ASN HD21 5.90 (#peak 879) &rst ixpk= 879, nxpk= 0, iat=2439,2448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 166 ASN HN 166 ASN HD22 5.87 (#peak 377) &rst ixpk= 377, nxpk= 0, iat=2439,2449, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 166 ASN HN 167 THR HN 5.90 (#peak 889) &rst ixpk= 889, nxpk= 0, iat=2439,2453, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 166 ASN HA 166 ASN HD21 5.08 (#peak 1846) &rst ixpk= 1846, nxpk= 0, iat=2441,2448, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 166 ASN HA 166 ASN HD22 5.55 (#peak 1157) &rst ixpk= 1157, nxpk= 0, iat=2441,2449, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 166 ASN HA 167 THR QG2 4.12 (#peak 1840) &rst ixpk= 1840, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=2459,2460,2461, &end # # 166 ASN HB2 166 ASN HD21 3.68 (#peak 3054) &rst ixpk= 3054, nxpk= 0, iat=2443,2448, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 166 ASN HB3 166 ASN HD21 3.65 (#peak 4388) &rst ixpk= 4388, nxpk= 0, iat=2444,2448, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 167 THR HN 167 THR QG2 3.75 (#peak 2864) &rst ixpk= 2864, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=2459,2460,2461, &end # # 167 THR HN 168 GLU HN 5.88 (#peak 1230) &rst ixpk= 1230, nxpk= 0, iat=2453,2467, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end # # 167 THR HA 167 THR QG2 3.26 (#peak 4832) &rst ixpk= 4832, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=2459,2460,2461, &end # # 167 THR HB 168 GLU HN 4.07 (#peak 2676) &rst ixpk= 2676, nxpk= 0, iat=2457,2467, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 167 THR QG2 168 GLU HN 3.63 (#peak 2863) &rst ixpk= 2863, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=2459,2460,2461, &end # # 167 THR QG2 168 GLU QG 4.94 (#peak 5106) &rst ixpk= 5106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr1=2459,2460,2461, igr2=2474,2475, &end # # 167 THR QG2 169 ALA HN 5.90 (#peak 206) &rst ixpk= 206, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1=2459,2460,2461, &end # # 168 GLU HN 168 GLU HB3 3.81 (#peak 467) &rst ixpk= 467, nxpk= 0, iat=2467,2472, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 168 GLU HN 168 GLU QG 4.26 (#peak 466) &rst ixpk= 466, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=2474,2475, &end # # 168 GLU HA 168 GLU QG 3.51 (#peak 429) &rst ixpk= 429, nxpk= 0, iat=2469, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2=2474,2475, &end # # 168 GLU HA 169 ALA HN 3.56 (#peak 193) &rst ixpk= 193, nxpk= 0, iat=2469,2482, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 168 GLU HA 169 ALA QB 5.25 (#peak 453) &rst ixpk= 453, nxpk= 0, iat=2469, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=2486,2487,2488, &end # # 168 GLU HB2 169 ALA HN 4.57 (#peak 168) &rst ixpk= 168, nxpk= 0, iat=2471,2482, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 168 GLU HB3 168 GLU QG 2.95 (#peak 832) &rst ixpk= 832, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2=2474,2475, &end # # 168 GLU QG 169 ALA HN 4.99 (#peak 167) &rst ixpk= 167, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=2474,2475, &end # # 168 GLU QG 169 ALA HA 4.37 (#peak 5024) &rst ixpk= 5024, nxpk= 0, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=2474,2475, &end # # 168 GLU QG 169 ALA QB 4.44 (#peak 5107) &rst ixpk= 5107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=2474,2475, igr2=2486,2487,2488, &end # # 169 ALA HN 169 ALA QB 3.58 (#peak 194) &rst ixpk= 194, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=2486,2487,2488, &end # # 169 ALA HA 170 LYS QG 4.93 (#peak 2156) &rst ixpk= 2156, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=2499,2500, &end # # 169 ALA QB 170 LYS HN 3.45 (#peak 3508) &rst ixpk= 3508, nxpk= 0, iat= -1,2492, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=2486,2487,2488, &end # # 170 LYS HN 170 LYS HB3 3.66 (#peak 3696) &rst ixpk= 3696, nxpk= 0, iat=2492,2497, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 170 LYS HN 170 LYS QE 5.85 (#peak 608) &rst ixpk= 608, nxpk= 0, iat=2492, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=2505,2506, &end # # 170 LYS HA 170 LYS QE 5.90 (#peak 3861) &rst ixpk= 3861, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=2505,2506, &end # # 170 LYS HA 170 LYS QG 3.84 (#peak 2240) &rst ixpk= 2240, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=2499,2500, &end # # 170 LYS HA 171 PRO HA 4.64 (#peak 4490) &rst ixpk= 4490, nxpk= 0, iat=2494,2524, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 170 LYS HA 171 PRO HB3 5.83 (#peak 511) &rst ixpk= 511, nxpk= 0, iat=2494,2522, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end # # 170 LYS HA 171 PRO HD2 2.66 (#peak 1762) &rst ixpk= 1762, nxpk= 0, iat=2494,2515, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 170 LYS HA 171 PRO HD3 2.83 (#peak 972) &rst ixpk= 972, nxpk= 0, iat=2494,2516, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 170 LYS HA 171 PRO QG 4.47 (#peak 955) &rst ixpk= 955, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2518,2519, &end # # 170 LYS HB2 171 PRO HD3 3.55 (#peak 2719) &rst ixpk= 2719, nxpk= 0, iat=2496,2516, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 170 LYS HB3 170 LYS QE 4.53 (#peak 391) &rst ixpk= 391, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=2505,2506, &end # # 170 LYS HB3 171 PRO HD2 5.28 (#peak 2643) &rst ixpk= 2643, nxpk= 0, iat=2497,2515, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 170 LYS HB3 171 PRO HD3 4.68 (#peak 390) &rst ixpk= 390, nxpk= 0, iat=2497,2516, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 170 LYS QD 171 PRO HD3 5.44 (#peak 1268) &rst ixpk= 1268, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=2502,2503, &end # # 170 LYS QE 171 PRO QG 5.90 (#peak 1167) &rst ixpk= 1167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1=2505,2506, igr2=2518,2519, &end # # 170 LYS QG 170 LYS QE 3.36 (#peak 2201) &rst ixpk= 2201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=2499,2500, igr2=2505,2506, &end # # 170 LYS QG 171 PRO HD3 5.66 (#peak 2174) &rst ixpk= 2174, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=2499,2500, &end # # 171 PRO HA 172 LYS HN 3.05 (#peak 567) &rst ixpk= 567, nxpk= 0, iat=2524,2528, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 171 PRO HA 173 ILE QD1 4.29 (#peak 4997) &rst ixpk= 4997, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=2563,2564,2565, &end # # 171 PRO HB2 172 LYS HN 4.13 (#peak 3344) &rst ixpk= 3344, nxpk= 0, iat=2521,2528, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 171 PRO HB2 172 LYS HA 4.53 (#peak 2355) &rst ixpk= 2355, nxpk= 0, iat=2521,2530, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 171 PRO HB2 174 LEU HN 4.11 (#peak 529) &rst ixpk= 529, nxpk= 0, iat=2521,2569, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 171 PRO HB2 174 LEU QD1 4.35 (#peak 580) &rst ixpk= 580, nxpk= 0, iat=2521, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=2578,2579,2580, &end # # 171 PRO HB3 173 ILE QD1 4.35 (#peak 492) &rst ixpk= 492, nxpk= 0, iat=2522, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=2563,2564,2565, &end # # 171 PRO HD3 174 LEU QD1 5.07 (#peak 1791) &rst ixpk= 1791, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=2578,2579,2580, &end # # 172 LYS HN 172 LYS HG3 4.51 (#peak 2139) &rst ixpk= 2139, nxpk= 0, iat=2528,2536, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 172 LYS HN 172 LYS QB 3.44 (#peak 566) &rst ixpk= 566, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=2532,2533, &end # # 172 LYS HN 172 LYS QD 4.52 (#peak 1250) &rst ixpk= 1250, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=2538,2539, &end # # 172 LYS HN 172 LYS QE 4.55 (#peak 465) &rst ixpk= 465, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=2541,2542, &end # # 172 LYS HN 173 ILE HN 5.57 (#peak 551) &rst ixpk= 551, nxpk= 0, iat=2528,2550, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 172 LYS HN 173 ILE QD1 5.69 (#peak 554) &rst ixpk= 554, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2=2563,2564,2565, &end # # 172 LYS HA 172 LYS QE 5.90 (#peak 411) &rst ixpk= 411, nxpk= 0, iat=2530, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=2541,2542, &end # # 172 LYS HG2 172 LYS QD 2.44 (#peak 1182) &rst ixpk= 1182, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, igr2=2538,2539, &end # # 172 LYS HG3 173 ILE QD1 5.03 (#peak 2142) &rst ixpk= 2142, nxpk= 0, iat=2536, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=2563,2564,2565, &end # # 172 LYS QD 172 LYS QE 2.66 (#peak 1249) &rst ixpk= 1249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr1=2538,2539, igr2=2541,2542, &end # # 172 LYS QE 173 ILE HN 5.16 (#peak 510) &rst ixpk= 510, nxpk= 0, iat= -1,2550, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=2541,2542, &end # # 172 LYS QE 173 ILE QD1 4.58 (#peak 2952) &rst ixpk= 2952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2541,2542, igr2=2563,2564,2565, &end # # 173 ILE HN 173 ILE HG12 4.23 (#peak 1644) &rst ixpk= 1644, nxpk= 0, iat=2550,2560, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 173 ILE HN 173 ILE HG13 4.83 (#peak 512) &rst ixpk= 512, nxpk= 0, iat=2550,2561, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 173 ILE HN 173 ILE QD1 3.62 (#peak 513) &rst ixpk= 513, nxpk= 0, iat=2550, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=2563,2564,2565, &end # # 173 ILE HN 174 LEU HN 5.22 (#peak 84) &rst ixpk= 84, nxpk= 0, iat=2550,2569, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 173 ILE HA 173 ILE QD1 4.95 (#peak 4998) &rst ixpk= 4998, nxpk= 0, iat=2552, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=2563,2564,2565, &end # # 173 ILE HA 173 ILE QG2 3.29 (#peak 4949) &rst ixpk= 4949, nxpk= 0, iat=2552, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=2556,2557,2558, &end # # 173 ILE HA 174 LEU HN 3.56 (#peak 4984) &rst ixpk= 4984, nxpk= 0, iat=2552,2569, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 173 ILE HB 173 ILE QD1 3.97 (#peak 5012) &rst ixpk= 5012, nxpk= 0, iat=2554, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=2563,2564,2565, &end # # 173 ILE HB 174 LEU HN 4.56 (#peak 103) &rst ixpk= 103, nxpk= 0, iat=2554,2569, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 173 ILE HG13 174 LEU HN 5.82 (#peak 88) &rst ixpk= 88, nxpk= 0, iat=2561,2569, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 173 ILE QD1 174 LEU HN 4.14 (#peak 89) &rst ixpk= 89, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=2563,2564,2565, &end # # 173 ILE QG2 173 ILE HG12 3.86 (#peak 4030) &rst ixpk= 4030, nxpk= 0, iat= -1,2560, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=2556,2557,2558, &end # # 173 ILE QG2 173 ILE HG13 3.28 (#peak 4031) &rst ixpk= 4031, nxpk= 0, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=2556,2557,2558, &end # # 174 LEU HN 174 LEU HB2 3.43 (#peak 87) &rst ixpk= 87, nxpk= 0, iat=2569,2573, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 174 LEU HN 174 LEU HG 4.44 (#peak 1696) &rst ixpk= 1696, nxpk= 0, iat=2569,2576, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 174 LEU HA 174 LEU QD2 3.27 (#peak 2290) &rst ixpk= 2290, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2582,2583,2584, &end # # 174 LEU HA 175 GLU HN 2.78 (#peak 586) &rst ixpk= 586, nxpk= 0, iat=2571,2588, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end # # 174 LEU HB2 174 LEU QD1 3.18 (#peak 2208) &rst ixpk= 2208, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=2578,2579,2580, &end # # 174 LEU HB2 174 LEU QD2 4.00 (#peak 3839) &rst ixpk= 3839, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=2582,2583,2584, &end # # 174 LEU HB3 174 LEU QD1 4.18 (#peak 3706) &rst ixpk= 3706, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2578,2579,2580, &end # # 174 LEU HB3 174 LEU QD2 3.18 (#peak 4335) &rst ixpk= 4335, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=2582,2583,2584, &end # # 174 LEU HB3 175 GLU HN 4.21 (#peak 518) &rst ixpk= 518, nxpk= 0, iat=2574,2588, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 174 LEU QD1 175 GLU HN 5.48 (#peak 580) &rst ixpk= 580, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1=2578,2579,2580, &end # # 175 GLU HN 175 GLU HB3 3.37 (#peak 609) &rst ixpk= 609, nxpk= 0, iat=2588,2593, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 175 GLU HN 175 GLU HG2 4.59 (#peak 5112) &rst ixpk= 5112, nxpk= 0, iat=2588,2595, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 175 GLU HA 175 GLU HG2 4.24 (#peak 5081) &rst ixpk= 5081, nxpk= 0, iat=2590,2595, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # 2704 atoms read from pdb file ./prm_2.pdb.
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