NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
491661 | 2jv1 | 15464 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 5 GLN H 5 GLN HB2 3.01 (#peak 12) &rst ixpk= 12, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 5 GLN H 5 GLN HB3 3.01 (#peak 13) &rst ixpk= 13, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 7 CYSS H 7 CYSS HB3 3.37 (#peak 18) &rst ixpk= 18, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 10 ILE H 10 ILE HB 3.84 (#peak 22) &rst ixpk= 22, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 11 CYSS H 11 CYSS HB3 3.66 (#peak 921) &rst ixpk= 921, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 13 LEU H 13 LEU HB3 3.54 (#peak 27) &rst ixpk= 27, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 14 TYR H 14 TYR HA 2.87 (#peak 31) &rst ixpk= 31, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 14 TYR H 14 TYR HB3 3.34 (#peak 32) WB &rst ixpk= 32, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 14 TYR H 14 TYR HB2 3.34 (#peak 33) WB &rst ixpk= 33, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 15 GLN H 15 GLN HB3 3.55 (#peak 37) WB &rst ixpk= 37, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 17 GLU H 17 GLU HB3 3.12 (#peak 46) &rst ixpk= 46, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 20 CYSS H 20 CYSS HB3 3.95 (#peak 56) &rst ixpk= 56, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 21 ASN H 21 ASN HB3 3.73 (#peak 536) &rst ixpk= 536, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 103 ASN H 103 ASN HB2 3.37 (#peak 62) WB &rst ixpk= 62, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 103 ASN H 103 ASN HB3 3.37 (#peak 63) WB &rst ixpk= 63, nxpk= 0, iat= 352, 357, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.17, &end # # 106 LEU H 106 LEU HB2 3.80 (#peak 73) &rst ixpk= 73, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 106 LEU H 106 LEU HB3 3.80 (#peak 583) &rst ixpk= 583, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 115 LEU H 115 LEU HA 2.94 (#peak 89) &rst ixpk= 89, nxpk= 0, iat= 524, 526, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 122 ARG H 122 ARG HA 2.80 (#peak 101) WB &rst ixpk= 101, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 125 PHE H 125 PHE HB2 3.95 (#peak 113) &rst ixpk= 113, nxpk= 0, iat= 682, 686, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 125 PHE H 125 PHE HB3 3.95 (#peak 114) &rst ixpk= 114, nxpk= 0, iat= 682, 687, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 126 TYR H 126 TYR HA 2.80 (#peak 115) WB &rst ixpk= 115, nxpk= 0, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 127 THR H 127 THR HB 3.77 (#peak 120) &rst ixpk= 120, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 9 SER HA 10 ILE H 3.12 (#peak 125) &rst ixpk= 125, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 14 TYR HA 15 GLN H 3.48 (#peak 126) &rst ixpk= 126, nxpk= 0, iat= 184, 203, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 20 CYSS HA 21 ASN H 3.01 (#peak 127) &rst ixpk= 127, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 2 ILE HB 3 VAL H 4.74 (#peak 1226) &rst ixpk= 1226, nxpk= 0, iat= 15, 30, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 3 VAL H 3 VAL HB 2.98 (#peak 507) &rst ixpk= 507, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 3 VAL HB 4 GLU H 3.26 (#peak 697) &rst ixpk= 697, nxpk= 0, iat= 34, 46, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 11 CYSS HB2 12 SER H 3.66 (#peak 189) &rst ixpk= 189, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 12 SER HA 13 LEU H 2.76 (#peak 191) &rst ixpk= 191, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 14 TYR HB2 15 GLN H 3.80 (#peak 194) WB &rst ixpk= 194, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 14 TYR HB3 15 GLN H 3.80 (#peak 195) &rst ixpk= 195, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 19 TYR HB3 20 CYSS H 4.27 (#peak 199) &rst ixpk= 199, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 102 VAL HA 103 ASN H 2.65 (#peak 200) &rst ixpk= 200, nxpk= 0, iat= 338, 352, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 103 ASN HA 104 GLN H 2.65 (#peak 203) &rst ixpk= 203, nxpk= 0, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 103 ASN HB3 104 GLN H 4.06 (#peak 694) &rst ixpk= 694, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 104 GLN HB3 105 HIS H 3.44 (#peak 208) &rst ixpk= 208, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 104 GLN HB2 105 HIS H 3.84 (#peak 209) &rst ixpk= 209, nxpk= 0, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 104 GLN HA 105 HIS H 2.83 (#peak 210) &rst ixpk= 210, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 105 HIS HB2 106 LEU H 4.49 (#peak 211) &rst ixpk= 211, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 109 SER QB 110 HIS H 4.65 (#peak 213) &rst ixpk= 213, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 440, 441, &end # # 113 GLU HB3 114 ALA H 3.48 (#peak 217) &rst ixpk= 217, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 115 LEU HB3 116 TYR H 3.52 (#peak 221) &rst ixpk= 221, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 118 VAL HA 119 CYSS H 3.55 (#peak 222) &rst ixpk= 222, nxpk= 0, iat= 585, 599, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 118 VAL HB 119 CYSS H 3.05 (#peak 223) &rst ixpk= 223, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 119 CYSS HA 120 GLY H 3.37 (#peak 224) WB &rst ixpk= 224, nxpk= 0, iat= 601, 609, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 119 CYSS HB2 120 GLY H 4.34 (#peak 225) &rst ixpk= 225, nxpk= 0, iat= 603, 609, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 119 CYSS HB3 120 GLY H 4.34 (#peak 226) &rst ixpk= 226, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 123 GLY HA2 124 PHE H 3.30 (#peak 230) &rst ixpk= 230, nxpk= 0, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 123 GLY HA3 124 PHE H 3.30 (#peak 231) &rst ixpk= 231, nxpk= 0, iat= 658, 662, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 124 PHE HA 125 PHE H 3.01 (#peak 232) &rst ixpk= 232, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 19 TYR H 19 TYR HB3 3.52 (#peak 237) &rst ixpk= 237, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 20 CYSS H 20 CYSS HB2 3.95 (#peak 246) &rst ixpk= 246, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 18 ASN H 18 ASN HB2 3.30 (#peak 48) &rst ixpk= 48, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 18 ASN H 18 ASN HB3 3.30 (#peak 248) &rst ixpk= 248, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 17 GLU HB2 18 ASN H 4.13 (#peak 251) &rst ixpk= 251, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 17 GLU HB3 18 ASN H 4.13 (#peak 252) &rst ixpk= 252, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 112 VAL H 112 VAL HB 3.16 (#peak 84) &rst ixpk= 84, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 13 LEU HB3 14 TYR H 3.73 (#peak 192) &rst ixpk= 192, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 13 LEU HB2 14 TYR H 3.73 (#peak 256) &rst ixpk= 256, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 111 LEU HB3 112 VAL H 3.77 (#peak 258) &rst ixpk= 258, nxpk= 0, iat= 469, 483, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 112 VAL HA 113 GLU H 3.55 (#peak 215) &rst ixpk= 215, nxpk= 0, iat= 485, 499, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 122 ARG HA 122 ARG HB2 2.90 (#peak 320) WB &rst ixpk= 320, nxpk= 0, iat= 633, 635, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 122 ARG HA 122 ARG HB3 2.90 (#peak 321) &rst ixpk= 321, nxpk= 0, iat= 633, 636, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 2 ILE H 3 VAL H 3.44 (#peak 338) &rst ixpk= 338, nxpk= 0, iat= 11, 30, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 7 CYSS H 8 THR H 2.69 (#peak 340) &rst ixpk= 340, nxpk= 0, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 8 THR H 9 SER H 3.08 (#peak 341) &rst ixpk= 341, nxpk= 0, iat= 98, 112, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 9 SER H 10 ILE H 4.34 (#peak 343) &rst ixpk= 343, nxpk= 0, iat= 112, 123, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 11 CYSS H 12 SER H 4.60 (#peak 344) &rst ixpk= 344, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 13 LEU H 14 TYR H 3.16 (#peak 346) &rst ixpk= 346, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 15 GLN H 16 LEU H 2.98 (#peak 348) &rst ixpk= 348, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 17 GLU H 18 ASN H 2.98 (#peak 349) &rst ixpk= 349, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 105 HIS H 106 LEU H 4.63 (#peak 351) &rst ixpk= 351, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 106 LEU H 107 CYSS H 3.88 (#peak 353) WB &rst ixpk= 353, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 107 CYSS H 108 GLY H 4.31 (#peak 355) &rst ixpk= 355, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 109 SER H 110 HIS H 3.26 (#peak 357) &rst ixpk= 357, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 110 HIS H 111 LEU H 2.94 (#peak 359) &rst ixpk= 359, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 112 VAL H 113 GLU H 3.16 (#peak 362) &rst ixpk= 362, nxpk= 0, iat= 483, 499, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 113 GLU H 114 ALA H 2.83 (#peak 364) &rst ixpk= 364, nxpk= 0, iat= 499, 514, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 114 ALA H 115 LEU H 2.94 (#peak 365) &rst ixpk= 365, nxpk= 0, iat= 514, 524, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 117 LEU H 118 VAL H 3.12 (#peak 368) &rst ixpk= 368, nxpk= 0, iat= 564, 583, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 116 TYR H 117 LEU H 2.94 (#peak 369) &rst ixpk= 369, nxpk= 0, iat= 543, 564, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 118 VAL H 119 CYSS H 2.98 (#peak 371) &rst ixpk= 371, nxpk= 0, iat= 583, 599, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 119 CYSS H 120 GLY H 2.94 (#peak 373) &rst ixpk= 373, nxpk= 0, iat= 599, 609, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 121 GLU H 122 ARG H 2.98 (#peak 376) &rst ixpk= 376, nxpk= 0, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 124 PHE H 125 PHE H 4.31 (#peak 377) WB &rst ixpk= 377, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 125 PHE H 126 TYR H 4.31 (#peak 379) WB &rst ixpk= 379, nxpk= 0, iat= 682, 702, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 12 SER H 15 GLN H 3.80 (#peak 380) &rst ixpk= 380, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 13 LEU H 16 LEU H 4.74 (#peak 383) &rst ixpk= 383, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 108 GLY H 111 LEU H 5.10 (#peak 384) &rst ixpk= 384, nxpk= 0, iat= 429, 464, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 109 SER H 112 VAL H 5.89 (#peak 385) &rst ixpk= 385, nxpk= 0, iat= 436, 483, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 13 LEU HA 16 LEU HB2 4.09 (#peak 449) &rst ixpk= 449, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 13 LEU HA 16 LEU HB3 4.09 (#peak 451) &rst ixpk= 451, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 110 HIS HA 113 GLU HB3 4.16 (#peak 456) &rst ixpk= 456, nxpk= 0, iat= 449, 504, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 110 HIS HA 113 GLU HB2 4.16 (#peak 457) &rst ixpk= 457, nxpk= 0, iat= 449, 503, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 113 GLU HA 116 TYR QB 4.22 (#peak 459) &rst ixpk= 459, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 547, 548, &end # # 115 LEU HA 118 VAL HB 3.88 (#peak 460) &rst ixpk= 460, nxpk= 0, iat= 526, 587, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 3 VAL HA 7 CYSS H 4.81 (#peak 462) &rst ixpk= 462, nxpk= 0, iat= 32, 88, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 12 SER HA 14 TYR H 4.96 (#peak 463) &rst ixpk= 463, nxpk= 0, iat= 154, 182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 12 SER H 15 GLN HB2 3.95 (#peak 475) &rst ixpk= 475, nxpk= 0, iat= 152, 207, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 112 VAL HA 116 TYR H 4.31 (#peak 485) &rst ixpk= 485, nxpk= 0, iat= 485, 543, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 112 VAL HA 115 LEU H 4.02 (#peak 487) &rst ixpk= 487, nxpk= 0, iat= 485, 524, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 117 LEU HA 119 CYSS H 4.24 (#peak 489) WB &rst ixpk= 489, nxpk= 0, iat= 566, 599, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 115 LEU HA 119 CYSS H 4.02 (#peak 490) &rst ixpk= 490, nxpk= 0, iat= 526, 599, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 116 TYR HA 119 CYSS H 3.95 (#peak 491) &rst ixpk= 491, nxpk= 0, iat= 545, 599, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 119 CYSS H 120 GLY QA 5.15 (#peak 492) &rst ixpk= 492, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 611, 612, &end # # 115 LEU HB2 116 TYR H 3.52 (#peak 220) WB &rst ixpk= 220, nxpk= 0, iat= 528, 543, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 102 VAL H 102 VAL HB 3.95 (#peak 508) &rst ixpk= 508, nxpk= 0, iat= 336, 340, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 101 PHE HA 102 VAL H 3.69 (#peak 512) &rst ixpk= 512, nxpk= 0, iat= 318, 336, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 108 GLY HA2 109 SER H 3.44 (#peak 530) &rst ixpk= 530, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 18 ASN HB2 19 TYR H 4.16 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 18 ASN HB3 19 TYR H 4.16 (#peak 534) &rst ixpk= 534, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 117 LEU HA 118 VAL H 3.48 (#peak 547) &rst ixpk= 547, nxpk= 0, iat= 566, 583, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 11 CYSS HA 12 SER H 2.76 (#peak 548) &rst ixpk= 548, nxpk= 0, iat= 144, 152, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 107 CYSS HA 108 GLY H 2.80 (#peak 549) &rst ixpk= 549, nxpk= 0, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 117 LEU HB3 118 VAL H 3.97 (#peak 550) &rst ixpk= 550, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 117 LEU HB2 118 VAL H 3.37 (#peak 554) &rst ixpk= 554, nxpk= 0, iat= 568, 583, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 107 CYSS HB3 108 GLY H 3.59 (#peak 558) &rst ixpk= 558, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 107 CYSS HB2 108 GLY H 3.59 (#peak 557) WB &rst ixpk= 557, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 119 CYSS H 119 CYSS HB3 3.74 (#peak 97) &rst ixpk= 97, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 119 CYSS H 119 CYSS HB2 3.34 (#peak 96) &rst ixpk= 96, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 105 HIS H 105 HIS HB3 3.34 (#peak 70) WB &rst ixpk= 70, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 105 HIS H 105 HIS HB2 3.34 (#peak 212) &rst ixpk= 212, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 12 SER H 16 LEU H 4.16 (#peak 596) WB &rst ixpk= 596, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 118 VAL H 120 GLY H 3.91 (#peak 598) WB &rst ixpk= 598, nxpk= 0, iat= 583, 609, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.71, &end # # 7 CYSS HA 106 LEU H 3.12 (#peak 606) &rst ixpk= 606, nxpk= 0, iat= 90, 400, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 6 CYSS HA 11 CYSS H 3.91 (#peak 607) &rst ixpk= 607, nxpk= 0, iat= 80, 142, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 10 ILE HA 11 CYSS H 3.01 (#peak 608) &rst ixpk= 608, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 116 TYR QB 117 LEU H 4.61 (#peak 610) &rst ixpk= 610, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 547, 548, &end # # 110 HIS H 110 HIS HB2 3.70 (#peak 80) &rst ixpk= 80, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 116 TYR H 116 TYR QB 3.93 (#peak 94) &rst ixpk= 94, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 547, 548, &end # # 116 TYR HA 117 LEU H 3.52 (#peak 618) &rst ixpk= 618, nxpk= 0, iat= 545, 564, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 106 LEU HA 107 CYSS H 2.69 (#peak 619) &rst ixpk= 619, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 110 HIS HB2 111 LEU H 4.20 (#peak 634) &rst ixpk= 634, nxpk= 0, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 13 LEU H 13 LEU HB2 3.34 (#peak 636) &rst ixpk= 636, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 115 LEU HA 118 VAL H 4.16 (#peak 638) &rst ixpk= 638, nxpk= 0, iat= 526, 583, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 21 ASN H 124 PHE HA 3.84 (#peak 639) &rst ixpk= 639, nxpk= 0, iat= 299, 664, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 2 ILE H 2 ILE HB 3.55 (#peak 645) WB &rst ixpk= 645, nxpk= 0, iat= 11, 15, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 118 VAL H 118 VAL HB 2.94 (#peak 99) &rst ixpk= 99, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 12 SER H 15 GLN HB3 3.95 (#peak 658) &rst ixpk= 658, nxpk= 0, iat= 152, 208, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 13 LEU H 14 TYR HA 5.35 (#peak 660) &rst ixpk= 660, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 116 TYR HA 118 VAL H 4.70 (#peak 661) &rst ixpk= 661, nxpk= 0, iat= 545, 583, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 3 VAL H 128 PRO HA 3.98 (#peak 666) &rst ixpk= 666, nxpk= 0, iat= 30, 747, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 103 ASN H 104 GLN HA 5.53 (#peak 667) &rst ixpk= 667, nxpk= 0, iat= 352, 368, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 107 CYSS HA 111 LEU HB3 4.63 (#peak 675) &rst ixpk= 675, nxpk= 0, iat= 421, 469, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 4 GLU HA 5 GLN H 3.48 (#peak 679) WB &rst ixpk= 679, nxpk= 0, iat= 48, 61, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 7 CYSS H 7 CYSS HB2 3.37 (#peak 17) &rst ixpk= 17, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 103 ASN HB2 104 GLN H 4.06 (#peak 695) &rst ixpk= 695, nxpk= 0, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 6 CYSS HB2 7 CYSS H 3.80 (#peak 182) WB &rst ixpk= 182, nxpk= 0, iat= 82, 88, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 102 VAL HB 103 ASN H 3.88 (#peak 201) WB &rst ixpk= 201, nxpk= 0, iat= 340, 352, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.53, &end # # 16 LEU H 16 LEU HB2 3.30 (#peak 700) &rst ixpk= 700, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 16 LEU H 16 LEU HB3 3.70 (#peak 701) &rst ixpk= 701, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 122 ARG H 122 ARG HB2 3.48 (#peak 103) &rst ixpk= 103, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 122 ARG H 122 ARG HB3 3.48 (#peak 710) WB &rst ixpk= 710, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 117 LEU H 117 LEU HB3 3.48 (#peak 711) WB &rst ixpk= 711, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 111 LEU HB2 112 VAL H 3.77 (#peak 715) WB &rst ixpk= 715, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.43, &end # # 111 LEU H 111 LEU HB2 3.44 (#peak 716) &rst ixpk= 716, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 111 LEU H 111 LEU HB3 3.44 (#peak 718) &rst ixpk= 718, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 110 HIS HB3 111 LEU H 4.20 (#peak 719) &rst ixpk= 719, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 13 LEU HB3 14 TYR HA 4.67 (#peak 734) WB &rst ixpk= 734, nxpk= 0, iat= 168, 184, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 13 LEU HB2 14 TYR HA 4.67 (#peak 735) &rst ixpk= 735, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 6 CYSS H 6 CYSS HB2 3.52 (#peak 14) &rst ixpk= 14, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 110 HIS H 110 HIS HB3 3.70 (#peak 760) &rst ixpk= 760, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 12 SER HA 15 GLN H 4.34 (#peak 762) WB &rst ixpk= 762, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 109 SER HA 112 VAL H 4.34 (#peak 769) &rst ixpk= 769, nxpk= 0, iat= 438, 483, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 101 PHE HB2 102 VAL H 4.70 (#peak 665) &rst ixpk= 665, nxpk= 0, iat= 320, 336, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 101 PHE HB3 102 VAL H 4.70 (#peak 777) &rst ixpk= 777, nxpk= 0, iat= 321, 336, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 21 ASN H 21 ASN HB2 3.73 (#peak 778) &rst ixpk= 778, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 4 GLU HA 8 THR H 4.16 (#peak 792) &rst ixpk= 792, nxpk= 0, iat= 48, 98, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 113 GLU HB2 114 ALA H 3.48 (#peak 216) WB &rst ixpk= 216, nxpk= 0, iat= 503, 514, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 121 GLU HB2 122 ARG H 4.52 (#peak 800) &rst ixpk= 800, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 121 GLU HB3 122 ARG H 4.52 (#peak 801) &rst ixpk= 801, nxpk= 0, iat= 621, 631, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 113 GLU H 113 GLU HB3 3.48 (#peak 802) &rst ixpk= 802, nxpk= 0, iat= 499, 504, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 113 GLU H 113 GLU HB2 3.48 (#peak 86) &rst ixpk= 86, nxpk= 0, iat= 499, 503, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 17 GLU H 17 GLU HB2 3.12 (#peak 45) &rst ixpk= 45, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 117 LEU HA 120 GLY H 4.16 (#peak 808) &rst ixpk= 808, nxpk= 0, iat= 566, 609, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 126 TYR H 126 TYR HB2 3.48 (#peak 116) &rst ixpk= 116, nxpk= 0, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 126 TYR H 126 TYR HB3 3.48 (#peak 817) &rst ixpk= 817, nxpk= 0, iat= 702, 707, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 11 CYSS HB3 12 SER H 3.66 (#peak 188) WB &rst ixpk= 188, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 117 LEU H 119 CYSS H 3.95 (#peak 851) WB &rst ixpk= 851, nxpk= 0, iat= 564, 599, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 112 VAL HA 114 ALA H 4.63 (#peak 794) &rst ixpk= 794, nxpk= 0, iat= 485, 514, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 13 LEU H 15 GLN H 3.91 (#peak 871) WB &rst ixpk= 871, nxpk= 0, iat= 163, 203, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 6 CYSS HA 7 CYSS H 3.44 (#peak 877) &rst ixpk= 877, nxpk= 0, iat= 80, 88, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 5 GLN HA 6 CYSS H 3.44 (#peak 904) &rst ixpk= 904, nxpk= 0, iat= 63, 78, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 13 LEU HA 16 LEU H 3.70 (#peak 905) &rst ixpk= 905, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 116 TYR HA 124 PHE H 5.82 (#peak 906) &rst ixpk= 906, nxpk= 0, iat= 545, 662, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end # # 19 TYR HB2 20 CYSS H 4.27 (#peak 913) &rst ixpk= 913, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 19 TYR H 19 TYR HB2 3.52 (#peak 915) &rst ixpk= 915, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 11 CYSS H 104 GLN H 4.88 (#peak 916) &rst ixpk= 916, nxpk= 0, iat= 142, 366, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 10 ILE H 11 CYSS H 4.88 (#peak 748) &rst ixpk= 748, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 11 CYSS H 105 HIS HA 3.98 (#peak 919) &rst ixpk= 919, nxpk= 0, iat= 142, 385, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 11 CYSS H 11 CYSS HB2 4.06 (#peak 24) &rst ixpk= 24, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 10 ILE HB 11 CYSS H 4.35 (#peak 922) &rst ixpk= 922, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 108 GLY HA3 109 SER H 3.44 (#peak 531) &rst ixpk= 531, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 108 GLY H 111 LEU HB2 4.85 (#peak 932) &rst ixpk= 932, nxpk= 0, iat= 429, 468, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 109 SER H 112 VAL HB 5.78 (#peak 933) &rst ixpk= 933, nxpk= 0, iat= 436, 487, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 7 CYSS H 106 LEU H 5.46 (#peak 935) &rst ixpk= 935, nxpk= 0, iat= 88, 400, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 105 HIS HA 106 LEU H 3.37 (#peak 936) &rst ixpk= 936, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 106 LEU H 107 CYSS HA 4.99 (#peak 937) &rst ixpk= 937, nxpk= 0, iat= 400, 421, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 105 HIS HB3 106 LEU H 4.49 (#peak 941) &rst ixpk= 941, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 109 SER H 111 LEU H 4.70 (#peak 943) &rst ixpk= 943, nxpk= 0, iat= 436, 464, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 108 GLY H 111 LEU HB3 4.85 (#peak 944) &rst ixpk= 944, nxpk= 0, iat= 429, 469, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 2 ILE H 4 GLU H 5.28 (#peak 972) &rst ixpk= 972, nxpk= 0, iat= 11, 46, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 116 TYR H 118 VAL H 4.38 (#peak 970) &rst ixpk= 970, nxpk= 0, iat= 543, 583, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 118 VAL H 119 CYSS HA 5.42 (#peak 975) &rst ixpk= 975, nxpk= 0, iat= 583, 601, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 2 ILE H 3 VAL HA 6.00 (#peak 976) &rst ixpk= 976, nxpk= 0, iat= 11, 32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 116 TYR QB 118 VAL H 6.05 (#peak 979) &rst ixpk= 979, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 547, 548, &end # # 7 CYSS H 9 SER H 4.09 (#peak 983) &rst ixpk= 983, nxpk= 0, iat= 88, 112, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 4 GLU HA 7 CYSS H 4.13 (#peak 984) &rst ixpk= 984, nxpk= 0, iat= 48, 88, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 5 GLN HA 7 CYSS H 4.16 (#peak 985) WB &rst ixpk= 985, nxpk= 0, iat= 63, 88, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 2 ILE HA 5 GLN H 4.09 (#peak 986) &rst ixpk= 986, nxpk= 0, iat= 13, 61, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 1 GLY QA 5 GLN H 5.91 (#peak 987) &rst ixpk= 987, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 6, 7, &end # # 3 VAL HA 6 CYSS H 4.31 (#peak 988) &rst ixpk= 988, nxpk= 0, iat= 32, 78, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 6 CYSS H 6 CYSS HB3 3.52 (#peak 994) &rst ixpk= 994, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 6 CYSS HB3 7 CYSS H 3.80 (#peak 991) &rst ixpk= 991, nxpk= 0, iat= 83, 88, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 107 CYSS HA 111 LEU HB2 4.63 (#peak 1012) &rst ixpk= 1012, nxpk= 0, iat= 421, 468, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 5 GLN HB2 6 CYSS HA 5.50 (#peak 1017) WB &rst ixpk= 1017, nxpk= 0, iat= 65, 80, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.40, &end # # 5 GLN HB3 6 CYSS HA 5.50 (#peak 1018) &rst ixpk= 1018, nxpk= 0, iat= 66, 80, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 118 VAL HB 119 CYSS HA 4.27 (#peak 1022) WB &rst ixpk= 1022, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 9 SER HA 10 ILE HB 5.89 (#peak 1027) &rst ixpk= 1027, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end # # 103 ASN HA 104 GLN HB3 5.64 (#peak 1037) &rst ixpk= 1037, nxpk= 0, iat= 354, 371, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 103 ASN HA 104 GLN HB2 5.64 (#peak 1038) &rst ixpk= 1038, nxpk= 0, iat= 354, 370, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 103 ASN HB2 104 GLN HA 6.00 (#peak 1057) &rst ixpk= 1057, nxpk= 0, iat= 356, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 ASN HB3 104 GLN HA 6.00 (#peak 1058) &rst ixpk= 1058, nxpk= 0, iat= 357, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 116 TYR HA 120 GLY H 4.02 (#peak 1070) &rst ixpk= 1070, nxpk= 0, iat= 545, 609, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 17 GLU HA 20 CYSS H 3.48 (#peak 1073) &rst ixpk= 1073, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 14 TYR HA 17 GLU HB2 3.48 (#peak 1076) &rst ixpk= 1076, nxpk= 0, iat= 184, 243, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 14 TYR HA 17 GLU HB3 3.48 (#peak 1077) &rst ixpk= 1077, nxpk= 0, iat= 184, 244, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 112 VAL HA 113 GLU HA 5.46 (#peak 1081) &rst ixpk= 1081, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 111 LEU HA 114 ALA H 3.62 (#peak 1082) &rst ixpk= 1082, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 15 GLN HA 17 GLU H 4.06 (#peak 1084) WB &rst ixpk= 1084, nxpk= 0, iat= 205, 239, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 117 LEU HB2 118 VAL HA 5.14 (#peak 1093) &rst ixpk= 1093, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 117 LEU HB3 118 VAL HA 5.14 (#peak 1094) &rst ixpk= 1094, nxpk= 0, iat= 569, 585, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 111 LEU HB3 112 VAL HA 6.00 (#peak 1110) &rst ixpk= 1110, nxpk= 0, iat= 469, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 111 LEU HB2 112 VAL HA 6.00 (#peak 1113) &rst ixpk= 1113, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 GLN H 15 GLN HB2 3.55 (#peak 1164) &rst ixpk= 1164, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 112 VAL HB 113 GLU H 3.12 (#peak 1177) &rst ixpk= 1177, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 117 LEU H 117 LEU HB2 3.48 (#peak 1191) &rst ixpk= 1191, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 1 GLY QA 3 VAL H 6.88 (#peak 1251) &rst ixpk= 1251, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 6, 7, &end # # 16 LEU H 16 LEU HG 4.27 (#peak 38) &rst ixpk= 38, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 19 TYR H 19 TYR QE 8.13 (#peak 53) &rst ixpk= 53, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 278, 283, &end # # 19 TYR H 19 TYR QD 6.47 (#peak 746) &rst ixpk= 746, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, igr2= 276, 285, &end # # 103 ASN H 103 ASN HD21 6.00 (#peak 64) &rst ixpk= 64, nxpk= 0, iat= 352, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 105 HIS H 105 HIS HD2 4.70 (#peak 580) &rst ixpk= 580, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 111 LEU H 111 LEU HG 4.45 (#peak 717) &rst ixpk= 717, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 122 ARG H 122 ARG QD 6.88 (#peak 102) &rst ixpk= 102, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 641, 642, &end # # 122 ARG H 122 ARG HE 6.00 (#peak 106) &rst ixpk= 106, nxpk= 0, iat= 631, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 104 GLN HG3 105 HIS H 6.00 (#peak 207) &rst ixpk= 207, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 111 LEU HG 112 VAL H 4.38 (#peak 214) &rst ixpk= 214, nxpk= 0, iat= 471, 483, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 111 LEU HA 111 LEU HG 3.77 (#peak 286) &rst ixpk= 286, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 116 TYR H 116 TYR QD 7.34 (#peak 305) &rst ixpk= 305, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, igr2= 551, 560, &end # # 122 ARG HB3 122 ARG HE 6.00 (#peak 437) &rst ixpk= 437, nxpk= 0, iat= 636, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 122 ARG HB2 122 ARG HE 6.00 (#peak 438) &rst ixpk= 438, nxpk= 0, iat= 635, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 13 LEU HA 16 LEU HG 6.00 (#peak 450) &rst ixpk= 450, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 16 LEU HA 19 TYR QD 5.61 (#peak 480) &rst ixpk= 480, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 276, 285, &end # # 18 ASN HB2 19 TYR QD 8.13 (#peak 482) &rst ixpk= 482, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 276, 285, &end # # 18 ASN HB3 19 TYR QD 8.13 (#peak 483) &rst ixpk= 483, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 276, 285, &end # # 101 PHE HA 101 PHE QD 8.13 (#peak 513) &rst ixpk= 513, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 324, 332, &end # # 124 PHE HA 124 PHE QD 7.77 (#peak 514) &rst ixpk= 514, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, igr2= 670, 678, &end # # 125 PHE HA 125 PHE QD 7.30 (#peak 521) &rst ixpk= 521, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2= 690, 698, &end # # 116 TYR QB 124 PHE QE 9.01 (#peak 532) &rst ixpk= 532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85, igr1= 547, 548, igr2= 672, 676, &end # # 116 TYR HA 116 TYR QD 7.08 (#peak 539) &rst ixpk= 539, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr2= 551, 560, &end # # 126 TYR HA 126 TYR QD 7.19 (#peak 542) &rst ixpk= 542, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr2= 710, 719, &end # # 19 TYR HA 19 TYR QD 6.33 (#peak 543) &rst ixpk= 543, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr2= 276, 285, &end # # 14 TYR HA 14 TYR QD 6.15 (#peak 546) &rst ixpk= 546, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 190, 199, &end # # 117 LEU HG 118 VAL H 5.35 (#peak 553) &rst ixpk= 553, nxpk= 0, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 8 THR HA 105 HIS HE1 6.00 (#peak 577) &rst ixpk= 577, nxpk= 0, iat= 100, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 106 LEU H 106 LEU HG 4.24 (#peak 74) &rst ixpk= 74, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 124 PHE H 124 PHE QD 7.84 (#peak 589) &rst ixpk= 589, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, igr2= 670, 678, &end # # 126 TYR QD 127 THR H 8.13 (#peak 591) &rst ixpk= 591, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 710, 719, &end # # 126 TYR H 126 TYR QD 8.13 (#peak 592) &rst ixpk= 592, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 710, 719, &end # # 124 PHE QD 126 TYR H 8.13 (#peak 594) &rst ixpk= 594, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 670, 678, &end # # 9 SER HA 105 HIS HE1 4.60 (#peak 599) &rst ixpk= 599, nxpk= 0, iat= 114, 393, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 10 ILE H 105 HIS HE1 6.00 (#peak 601) &rst ixpk= 601, nxpk= 0, iat= 123, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 116 TYR HA 124 PHE QD 8.09 (#peak 620) &rst ixpk= 620, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr2= 670, 678, &end # # 115 LEU HB3 124 PHE QD 8.13 (#peak 621) &rst ixpk= 621, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 124 PHE QD 125 PHE H 8.13 (#peak 626) &rst ixpk= 626, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 670, 678, &end # # 125 PHE H 125 PHE QD 8.13 (#peak 627) &rst ixpk= 627, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 690, 698, &end # # 2 ILE H 19 TYR QE 8.13 (#peak 655) &rst ixpk= 655, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 278, 283, &end # # 126 TYR QE 128 PRO HA 8.13 (#peak 690) &rst ixpk= 690, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 712, 717, &end # # 122 ARG H 122 ARG QG 6.13 (#peak 105) &rst ixpk= 105, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, igr2= 638, 639, &end # # 14 TYR H 14 TYR QD 7.91 (#peak 742) &rst ixpk= 742, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38, igr2= 190, 199, &end # # 14 TYR QD 15 GLN H 8.13 (#peak 743) &rst ixpk= 743, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 190, 199, &end # # 124 PHE H 124 PHE QE 8.13 (#peak 744) &rst ixpk= 744, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 672, 676, &end # # 125 PHE QD 127 THR H 8.13 (#peak 745) &rst ixpk= 745, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 690, 698, &end # # 116 TYR H 124 PHE QE 8.13 (#peak 747) &rst ixpk= 747, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 672, 676, &end # # 103 ASN H 103 ASN HD22 6.00 (#peak 750) &rst ixpk= 750, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLN H 5 GLN HG3 4.78 (#peak 756) &rst ixpk= 756, nxpk= 0, iat= 61, 69, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 5 GLN H 5 GLN HG2 4.78 (#peak 757) &rst ixpk= 757, nxpk= 0, iat= 61, 68, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 109 SER QB 110 HIS HD2 6.88 (#peak 763) &rst ixpk= 763, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 440, 441, &end # # 127 THR H 128 PRO QD 6.89 (#peak 764) &rst ixpk= 764, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, igr2= 738, 739, &end # # 15 GLN H 16 LEU HG 6.00 (#peak 765) &rst ixpk= 765, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 116 TYR HA 124 PHE QE 7.02 (#peak 767) &rst ixpk= 767, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, igr2= 672, 676, &end # # 123 GLY HA2 124 PHE QE 8.13 (#peak 771) &rst ixpk= 771, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 672, 676, &end # # 123 GLY HA3 124 PHE QE 8.13 (#peak 772) &rst ixpk= 772, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 672, 676, &end # # 5 GLN HG3 6 CYSS H 6.00 (#peak 813) &rst ixpk= 813, nxpk= 0, iat= 69, 78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 GLN HG2 6 CYSS H 6.00 (#peak 814) &rst ixpk= 814, nxpk= 0, iat= 68, 78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 104 GLN HG2 105 HIS H 6.00 (#peak 833) &rst ixpk= 833, nxpk= 0, iat= 373, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 16 LEU HA 19 TYR QE 8.13 (#peak 874) &rst ixpk= 874, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 278, 283, &end # # 15 GLN HA 19 TYR QE 7.81 (#peak 875) &rst ixpk= 875, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr2= 278, 283, &end # # 18 ASN HB3 19 TYR QE 8.13 (#peak 887) &rst ixpk= 887, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 278, 283, &end # # 18 ASN HB2 19 TYR QE 8.13 (#peak 888) &rst ixpk= 888, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 278, 283, &end # # 16 LEU HG 19 TYR QD 8.13 (#peak 892) &rst ixpk= 892, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 276, 285, &end # # 4 GLU H 4 GLU HG2 5.35 (#peak 8) &rst ixpk= 8, nxpk= 0, iat= 46, 53, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 4 GLU H 4 GLU HG3 5.35 (#peak 9) &rst ixpk= 9, nxpk= 0, iat= 46, 54, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 104 GLN H 104 GLN HG2 4.67 (#peak 67) &rst ixpk= 67, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 104 GLN H 104 GLN HG3 4.67 (#peak 68) &rst ixpk= 68, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 113 GLU H 113 GLU QG 6.63 (#peak 881) &rst ixpk= 881, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, igr2= 506, 507, &end # # 109 SER H 110 HIS HD2 6.00 (#peak 925) &rst ixpk= 925, nxpk= 0, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 CYSS HB2 108 GLY H 6.00 (#peak 930) &rst ixpk= 930, nxpk= 0, iat= 92, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 105 HIS HD2 106 LEU H 6.00 (#peak 938) WB &rst ixpk= 938, nxpk= 0, iat= 396, 400, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 13 LEU H 14 TYR QD 8.13 (#peak 957) &rst ixpk= 957, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 190, 199, &end # # 119 CYSS H 124 PHE QD 8.13 (#peak 959) &rst ixpk= 959, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 13 LEU H 13 LEU HG 3.41 (#peak 964) &rst ixpk= 964, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 116 TYR QD 118 VAL H 8.13 (#peak 974) &rst ixpk= 974, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 551, 560, &end # # 105 HIS H 106 LEU HG 6.00 (#peak 981) &rst ixpk= 981, nxpk= 0, iat= 383, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 ASN H 104 GLN HG2 6.00 (#peak 999) &rst ixpk= 999, nxpk= 0, iat= 352, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 ASN H 104 GLN HG3 6.00 (#peak 1000) &rst ixpk= 1000, nxpk= 0, iat= 352, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 116 TYR H 124 PHE QD 8.13 (#peak 1008) &rst ixpk= 1008, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 107 CYSS HA 111 LEU HG 6.00 (#peak 1013) &rst ixpk= 1013, nxpk= 0, iat= 421, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 20 CYSS HA 124 PHE QD 8.13 (#peak 1020) &rst ixpk= 1020, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 119 CYSS HA 122 ARG QG 6.88 (#peak 1025) &rst ixpk= 1025, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 638, 639, &end # # 119 CYSS HA 122 ARG HE 5.75 (#peak 1026) &rst ixpk= 1026, nxpk= 0, iat= 601, 644, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 124 PHE HA 125 PHE QD 8.13 (#peak 1030) &rst ixpk= 1030, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 690, 698, &end # # 103 ASN HA 104 GLN HG2 6.00 (#peak 1035) &rst ixpk= 1035, nxpk= 0, iat= 354, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 103 ASN HA 104 GLN HG3 6.00 (#peak 1036) &rst ixpk= 1036, nxpk= 0, iat= 354, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 110 HIS HA 110 HIS HD2 5.78 (#peak 1052) &rst ixpk= 1052, nxpk= 0, iat= 449, 460, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 18 ASN HA 18 ASN HD21 6.00 (#peak 1053) &rst ixpk= 1053, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 18 ASN HA 18 ASN HD22 6.00 (#peak 1054) &rst ixpk= 1054, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 10 ILE HB 104 GLN HA 6.00 (#peak 1060) &rst ixpk= 1060, nxpk= 0, iat= 127, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 128 PRO QD 129 LYS HA 6.89 (#peak 1061) &rst ixpk= 1061, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, igr1= 738, 739, &end # # 129 LYS HA 129 LYS QD 6.88 (#peak 1063) &rst ixpk= 1063, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 761, 762, &end # # 126 TYR QD 128 PRO HA 8.13 (#peak 1064) &rst ixpk= 1064, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 710, 719, &end # # 127 THR HB 128 PRO QD 6.89 (#peak 1080) &rst ixpk= 1080, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, igr2= 738, 739, &end # # 123 GLY HA2 124 PHE QD 8.13 (#peak 1087) &rst ixpk= 1087, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 123 GLY HA3 124 PHE QD 8.13 (#peak 1088) &rst ixpk= 1088, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 126 TYR QD 128 PRO QD 9.02 (#peak 1098) &rst ixpk= 1098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86, igr1= 710, 719, igr2= 738, 739, &end # # 126 TYR QE 128 PRO QD 9.02 (#peak 1099) &rst ixpk= 1099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86, igr1= 712, 717, igr2= 738, 739, &end # # 3 VAL HA 126 TYR QE 8.13 (#peak 1101) &rst ixpk= 1101, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 712, 717, &end # # 112 VAL HA 126 TYR QE 8.13 (#peak 1104) &rst ixpk= 1104, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 712, 717, &end # # 111 LEU HG 112 VAL HA 5.46 (#peak 1106) &rst ixpk= 1106, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 112 VAL HA 124 PHE QE 8.13 (#peak 1114) &rst ixpk= 1114, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 672, 676, &end # # 7 CYSS HB3 108 GLY H 6.00 (#peak 1115) &rst ixpk= 1115, nxpk= 0, iat= 93, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 113 GLU QG 114 ALA H 6.88 (#peak 1156) &rst ixpk= 1156, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 506, 507, &end # # 121 GLU H 121 GLU QG 6.88 (#peak 1159) &rst ixpk= 1159, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 623, 624, &end # # 116 TYR QB 117 LEU HG 6.38 (#peak 1195) &rst ixpk= 1195, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 547, 548, &end # # 117 LEU H 117 LEU HG 3.08 (#peak 1199) &rst ixpk= 1199, nxpk= 0, iat= 564, 571, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 116 TYR QE 117 LEU HG 8.13 (#peak 1200) &rst ixpk= 1200, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 553, 558, &end # # 115 LEU HB2 124 PHE QD 8.13 (#peak 1212) &rst ixpk= 1212, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 670, 678, &end # # 115 LEU HG 116 TYR H 4.78 (#peak 1213) &rst ixpk= 1213, nxpk= 0, iat= 531, 543, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 111 LEU HG 115 LEU H 4.78 (#peak 1225) &rst ixpk= 1225, nxpk= 0, iat= 471, 524, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 101 PHE QD 102 VAL H 8.13 (#peak 1250) &rst ixpk= 1250, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 324, 332, &end # # 2 ILE H 2 ILE QD1 6.37 (#peak 4) &rst ixpk= 4, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15, igr2= 24, 25, 26, &end # # 2 ILE H 2 ILE QG2 4.32 (#peak 5) &rst ixpk= 5, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 17, 18, 19, &end # # 3 VAL H 3 VAL QG2 5.44 (#peak 510) &rst ixpk= 510, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 40, 41, 42, &end # # 16 LEU H 16 LEU QD1 6.41 (#peak 704) &rst ixpk= 704, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, igr2= 229, 230, 231, &end # # 106 LEU H 106 LEU QD2 6.84 (#peak 77) &rst ixpk= 77, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr2= 413, 414, 415, &end # # 114 ALA H 114 ALA QB 4.03 (#peak 88) &rst ixpk= 88, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 518, 519, 520, &end # # 115 LEU H 115 LEU QD2 5.61 (#peak 92) &rst ixpk= 92, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2= 537, 538, 539, &end # # 115 LEU H 115 LEU QD1 5.61 (#peak 93) &rst ixpk= 93, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr2= 533, 534, 535, &end # # 127 THR H 127 THR QG2 6.19 (#peak 121) &rst ixpk= 121, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr2= 729, 730, 731, &end # # 16 LEU HA 16 LEU QD2 5.25 (#peak 164) &rst ixpk= 164, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 233, 234, 235, &end # # 16 LEU HA 16 LEU QD1 5.25 (#peak 165) &rst ixpk= 165, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 229, 230, 231, &end # # 3 VAL QG2 4 GLU H 5.33 (#peak 178) &rst ixpk= 178, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 40, 41, 42, &end # # 10 ILE QD1 11 CYSS H 7.02 (#peak 186) &rst ixpk= 186, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 136, 137, 138, &end # # 102 VAL QQG 103 ASN H 7.27 (#peak 202) &rst ixpk= 202, nxpk= 0, iat= 339, 352, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, &end # # 115 LEU HA 115 LEU QD1 5.97 (#peak 300) &rst ixpk= 300, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 533, 534, 535, &end # # 115 LEU HA 115 LEU QD2 5.97 (#peak 301) &rst ixpk= 301, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 537, 538, 539, &end # # 111 LEU HA 114 ALA QB 5.36 (#peak 458) &rst ixpk= 458, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2= 518, 519, 520, &end # # 2 ILE QG2 3 VAL H 4.17 (#peak 176) &rst ixpk= 176, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 17, 18, 19, &end # # 7 CYSS H 8 THR QG2 6.77 (#peak 468) &rst ixpk= 468, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr2= 104, 105, 106, &end # # 10 ILE QG2 11 CYSS H 5.11 (#peak 470) &rst ixpk= 470, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 129, 130, 131, &end # # 114 ALA QB 116 TYR H 6.84 (#peak 497) &rst ixpk= 497, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1= 518, 519, 520, &end # # 114 ALA QB 115 LEU H 4.35 (#peak 218) &rst ixpk= 218, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 518, 519, 520, &end # # 118 VAL QG2 119 CYSS H 5.15 (#peak 503) &rst ixpk= 503, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1= 593, 594, 595, &end # # 118 VAL QG1 119 CYSS H 5.15 (#peak 502) &rst ixpk= 502, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1= 589, 590, 591, &end # # 3 VAL H 3 VAL QG1 5.44 (#peak 511) &rst ixpk= 511, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 36, 37, 38, &end # # 118 VAL H 118 VAL QG1 4.79 (#peak 564) &rst ixpk= 564, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 589, 590, 591, &end # # 106 LEU H 106 LEU QD1 6.84 (#peak 76) &rst ixpk= 76, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr2= 409, 410, 411, &end # # 118 VAL H 118 VAL QG2 4.79 (#peak 586) &rst ixpk= 586, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 593, 594, 595, &end # # 10 ILE QG2 105 HIS HE1 7.02 (#peak 604) &rst ixpk= 604, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 129, 130, 131, &end # # 113 GLU H 114 ALA QB 5.69 (#peak 713) &rst ixpk= 713, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2= 518, 519, 520, &end # # 115 LEU QD1 124 PHE QD 9.15 (#peak 622) &rst ixpk= 622, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83, igr1= 533, 534, 535, igr2= 670, 678, &end # # 115 LEU QD2 124 PHE QD 9.15 (#peak 623) &rst ixpk= 623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83, igr1= 537, 538, 539, igr2= 670, 678, &end # # 10 ILE QD1 105 HIS H 6.44 (#peak 641) &rst ixpk= 641, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, igr1= 136, 137, 138, &end # # 10 ILE QD1 105 HIS HE1 7.02 (#peak 652) &rst ixpk= 652, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 136, 137, 138, &end # # 108 GLY H 111 LEU QD1 7.02 (#peak 656) &rst ixpk= 656, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 473, 474, 475, &end # # 118 VAL QG2 119 CYSS HA 6.80 (#peak 672) &rst ixpk= 672, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 593, 594, 595, &end # # 7 CYSS HA 8 THR QG2 7.02 (#peak 674) &rst ixpk= 674, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 8 THR QG2 9 SER HA 7.02 (#peak 676) &rst ixpk= 676, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 104, 105, 106, &end # # 4 GLU HA 8 THR QG2 6.87 (#peak 677) &rst ixpk= 677, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, igr2= 104, 105, 106, &end # # 7 CYSS HB2 8 THR QG2 7.02 (#peak 681) &rst ixpk= 681, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 7 CYSS HB3 8 THR QG2 7.02 (#peak 845) &rst ixpk= 845, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 4 GLU HG3 8 THR QG2 7.02 (#peak 683) &rst ixpk= 683, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 4 GLU HB2 8 THR QG2 7.02 (#peak 684) &rst ixpk= 684, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 16 LEU HA 115 LEU QD1 7.02 (#peak 686) &rst ixpk= 686, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 533, 534, 535, &end # # 2 ILE QD1 16 LEU HA 7.02 (#peak 687) &rst ixpk= 687, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 24, 25, 26, &end # # 16 LEU H 16 LEU QD2 6.41 (#peak 41) &rst ixpk= 41, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, igr2= 233, 234, 235, &end # # 13 LEU HA 13 LEU QD1 5.29 (#peak 727) &rst ixpk= 727, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 172, 173, 174, &end # # 13 LEU HA 13 LEU QD2 5.29 (#peak 728) &rst ixpk= 728, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 176, 177, 178, &end # # 2 ILE HA 2 ILE QD1 6.30 (#peak 732) &rst ixpk= 732, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr2= 24, 25, 26, &end # # 106 LEU QD1 114 ALA QB 7.03 (#peak 1229) &rst ixpk= 1229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, igr1= 409, 410, 411, igr2= 518, 519, 520, &end # # 3 VAL QG1 4 GLU H 5.33 (#peak 179) &rst ixpk= 179, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 36, 37, 38, &end # # 4 GLU H 8 THR QG2 7.02 (#peak 755) &rst ixpk= 755, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 8 THR QG2 105 HIS HE1 7.02 (#peak 782) &rst ixpk= 782, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 104, 105, 106, &end # # 13 LEU H 13 LEU QD2 6.59 (#peak 30) &rst ixpk= 30, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, igr2= 176, 177, 178, &end # # 10 ILE QG2 105 HIS H 7.02 (#peak 785) &rst ixpk= 785, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 129, 130, 131, &end # # 10 ILE QG2 103 ASN H 7.02 (#peak 787) &rst ixpk= 787, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 129, 130, 131, &end # # 10 ILE QG2 104 GLN H 5.94 (#peak 789) &rst ixpk= 789, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 129, 130, 131, &end # # 112 VAL HA 115 LEU QD2 7.02 (#peak 846) &rst ixpk= 846, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 537, 538, 539, &end # # 2 ILE QD1 3 VAL H 6.98 (#peak 177) &rst ixpk= 177, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr1= 24, 25, 26, &end # # 10 ILE QG2 103 ASN HB2 7.02 (#peak 840) &rst ixpk= 840, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 129, 130, 131, &end # # 10 ILE QG2 103 ASN HB3 7.02 (#peak 841) &rst ixpk= 841, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 129, 130, 131, &end # # 10 ILE QD1 104 GLN H 6.59 (#peak 842) &rst ixpk= 842, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, igr1= 136, 137, 138, &end # # 125 PHE QD 127 THR QG2 9.15 (#peak 847) &rst ixpk= 847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83, igr1= 690, 698, igr2= 729, 730, 731, &end # # 4 GLU HB3 8 THR QG2 7.02 (#peak 853) &rst ixpk= 853, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 111 LEU QD1 112 VAL HA 7.02 (#peak 854) &rst ixpk= 854, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 473, 474, 475, &end # # 17 GLU HG3 118 VAL QG2 7.02 (#peak 858) &rst ixpk= 858, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 593, 594, 595, &end # # 118 VAL QG1 119 CYSS HA 6.80 (#peak 859) &rst ixpk= 859, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 589, 590, 591, &end # # 10 ILE QG2 103 ASN HA 6.73 (#peak 860) &rst ixpk= 860, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1= 129, 130, 131, &end # # 114 ALA QB 118 VAL H 6.95 (#peak 879) &rst ixpk= 879, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 518, 519, 520, &end # # 3 VAL QG1 108 GLY H 7.02 (#peak 947) &rst ixpk= 947, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 36, 37, 38, &end # # 3 VAL QG2 108 GLY H 7.02 (#peak 948) &rst ixpk= 948, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 40, 41, 42, &end # # 108 GLY H 111 LEU QD2 7.02 (#peak 953) &rst ixpk= 953, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 477, 478, 479, &end # # 109 SER H 111 LEU QD2 7.02 (#peak 954) &rst ixpk= 954, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 477, 478, 479, &end # # 13 LEU H 13 LEU QD1 6.59 (#peak 29) &rst ixpk= 29, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, igr2= 172, 173, 174, &end # # 12 SER H 16 LEU QD1 7.02 (#peak 966) &rst ixpk= 966, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 229, 230, 231, &end # # 12 SER H 16 LEU QD2 7.02 (#peak 967) &rst ixpk= 967, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 233, 234, 235, &end # # 115 LEU QD1 119 CYSS H 7.02 (#peak 968) &rst ixpk= 968, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 533, 534, 535, &end # # 115 LEU QD2 119 CYSS H 7.02 (#peak 969) &rst ixpk= 969, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 537, 538, 539, &end # # 10 ILE QD1 103 ASN H 7.02 (#peak 996) &rst ixpk= 996, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 136, 137, 138, &end # # 5 GLN H 8 THR QG2 7.02 (#peak 1001) &rst ixpk= 1001, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 115 LEU QD1 116 TYR H 7.02 (#peak 1010) &rst ixpk= 1010, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 533, 534, 535, &end # # 115 LEU QD2 116 TYR H 7.02 (#peak 1011) &rst ixpk= 1011, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 537, 538, 539, &end # # 9 SER HA 10 ILE QG2 7.02 (#peak 1028) &rst ixpk= 1028, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 129, 130, 131, &end # # 10 ILE QG2 12 SER HA 7.02 (#peak 1045) &rst ixpk= 1045, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 129, 130, 131, &end # # 10 ILE QD1 12 SER HA 7.02 (#peak 1046) &rst ixpk= 1046, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 136, 137, 138, &end # # 2 ILE QG2 126 TYR HA 7.02 (#peak 1047) &rst ixpk= 1047, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 17, 18, 19, &end # # 110 HIS HA 114 ALA QB 7.02 (#peak 1050) &rst ixpk= 1050, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 518, 519, 520, &end # # 101 PHE HA 102 VAL QQG 8.10 (#peak 1069) &rst ixpk= 1069, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, &end # # 16 LEU HA 115 LEU QD2 7.02 (#peak 1075) &rst ixpk= 1075, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 537, 538, 539, &end # # 127 THR QG2 128 PRO QD 7.91 (#peak 1100) &rst ixpk= 1100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16, igr1= 729, 730, 731, igr2= 738, 739, &end # # 112 VAL HA 114 ALA QB 7.02 (#peak 1105) &rst ixpk= 1105, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 518, 519, 520, &end # # 112 VAL HA 115 LEU QD1 7.02 (#peak 1108) &rst ixpk= 1108, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 533, 534, 535, &end # # 111 LEU QD2 112 VAL HA 7.02 (#peak 1111) &rst ixpk= 1111, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 477, 478, 479, &end # # 17 GLU HG2 118 VAL QG2 7.02 (#peak 1153) &rst ixpk= 1153, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 593, 594, 595, &end # # 17 GLU HG2 118 VAL QG1 7.02 (#peak 1154) &rst ixpk= 1154, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 589, 590, 591, &end # # 4 GLU HG2 8 THR QG2 7.02 (#peak 1158) &rst ixpk= 1158, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 104, 105, 106, &end # # 17 GLU HG3 118 VAL QG1 7.02 (#peak 1168) &rst ixpk= 1168, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr2= 589, 590, 591, &end # # 2 ILE QD1 15 GLN HB2 7.02 (#peak 1171) &rst ixpk= 1171, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 24, 25, 26, &end # # 114 ALA QB 118 VAL HB 7.02 (#peak 1180) &rst ixpk= 1180, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 518, 519, 520, &end # # 2 ILE QD1 15 GLN HB3 7.02 (#peak 1188) &rst ixpk= 1188, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 24, 25, 26, &end # # 2 ILE QD1 16 LEU HG 7.02 (#peak 1204) &rst ixpk= 1204, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 24, 25, 26, &end # # 114 ALA QB 115 LEU QD1 8.04 (#peak 1215) &rst ixpk= 1215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10, igr1= 518, 519, 520, igr2= 533, 534, 535, &end # # 114 ALA QB 115 LEU QD2 8.04 (#peak 1216) &rst ixpk= 1216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10, igr1= 518, 519, 520, igr2= 537, 538, 539, &end # # 114 ALA QB 117 LEU QD1 7.68 (#peak 1217) &rst ixpk= 1217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.08, r4=11.58, igr1= 518, 519, 520, igr2= 573, 574, 575, &end # # 114 ALA QB 117 LEU QD2 7.68 (#peak 1218) &rst ixpk= 1218, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.08, r4=11.58, igr1= 518, 519, 520, igr2= 577, 578, 579, &end # # 2 ILE QD1 111 LEU HG 6.34 (#peak 1224) &rst ixpk= 1224, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 24, 25, 26, &end # # 106 LEU QD2 114 ALA QB 7.03 (#peak 1230) &rst ixpk= 1230, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, igr1= 413, 414, 415, igr2= 518, 519, 520, &end # # 2 ILE H 2 ILE QG1 4.83 (#peak 834) &rst ixpk= 834, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2= 21, 22, &end # # 2 ILE H 3 VAL QQG 5.65 (#peak 465) &rst ixpk= 465, nxpk= 0, iat= 11, 33, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 2 ILE HA 5 GLN QB 4.29 (#peak 737) &rst ixpk= 737, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 65, 66, &end # # 2 ILE HB 11 CYSS QB 5.81 (#peak 1126) &rst ixpk= 1126, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 146, 147, &end # # 2 ILE QG1 3 VAL H 5.81 (#peak 1236) &rst ixpk= 1236, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 21, 22, &end # # 2 ILE QG1 19 TYR QD 7.77 (#peak 649) &rst ixpk= 649, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, igr1= 21, 22, igr2= 276, 285, &end # # 2 ILE QG1 19 TYR QE 7.78 (#peak 1237) &rst ixpk= 1237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 21, 22, igr2= 278, 283, &end # # 2 ILE QD1 5 GLN QB 6.75 (#peak 1183) &rst ixpk= 1183, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr1= 24, 25, 26, igr2= 65, 66, &end # # 3 VAL H 3 VAL QQG 4.10 (#peak 510) &rst ixpk= 510, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 3 VAL HA 6 CYSS QB 4.66 (#peak 1129) &rst ixpk= 1129, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 82, 83, &end # # 3 VAL HA 111 LEU QQD 5.86 (#peak 478) &rst ixpk= 478, nxpk= 0, iat= 32, 470, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 3 VAL QQG 4 GLU H 4.66 (#peak 179) &rst ixpk= 179, nxpk= 0, iat= 33, 46, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 3 VAL QQG 4 GLU QB 5.67 (#peak 1185) &rst ixpk= 1185, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2= 50, 51, &end # # 3 VAL QQG 4 GLU QG 6.62 (#peak 1162) &rst ixpk= 1162, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr2= 53, 54, &end # # 3 VAL QQG 7 CYSS H 6.90 (#peak 997) &rst ixpk= 997, nxpk= 0, iat= 33, 88, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 3 VAL QQG 127 THR HA 6.90 (#peak 1049) &rst ixpk= 1049, nxpk= 0, iat= 33, 725, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 4 GLU H 4 GLU QB 3.42 (#peak 900) &rst ixpk= 900, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 50, 51, &end # # 4 GLU H 4 GLU QG 4.53 (#peak 8) &rst ixpk= 8, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 53, 54, &end # # 4 GLU QB 129 LYS QG 6.63 (#peak 1182) &rst ixpk= 1182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 50, 51, igr2= 758, 759, &end # # 4 GLU QG 5 GLN H 5.81 (#peak 1163) &rst ixpk= 1163, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 53, 54, &end # # 4 GLU QG 129 LYS QG 6.63 (#peak 1157) &rst ixpk= 1157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 53, 54, igr2= 758, 759, &end # # 5 GLN H 5 GLN QB 2.61 (#peak 12) &rst ixpk= 12, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, igr2= 65, 66, &end # # 5 GLN QB 6 CYSS H 3.74 (#peak 1184) &rst ixpk= 1184, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 65, 66, &end # # 5 GLN QB 6 CYSS HA 4.70 (#peak 1017) &rst ixpk= 1017, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 65, 66, &end # # 5 GLN QG 11 CYSS QB 5.18 (#peak 1136) &rst ixpk= 1136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 68, 69, igr2= 146, 147, &end # # 6 CYSS H 6 CYSS QB 2.85 (#peak 14) &rst ixpk= 14, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 82, 83, &end # # 6 CYSS H 7 CYSS QB 4.66 (#peak 1003) &rst ixpk= 1003, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 92, 93, &end # # 6 CYSS H 11 CYSS QB 4.90 (#peak 993) &rst ixpk= 993, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 146, 147, &end # # 6 CYSS H 111 LEU QQD 6.90 (#peak 843) &rst ixpk= 843, nxpk= 0, iat= 78, 470, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 6 CYSS HA 11 CYSS QB 5.81 (#peak 1016) &rst ixpk= 1016, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 146, 147, &end # # 6 CYSS QB 7 CYSS H 3.30 (#peak 182) &rst ixpk= 182, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1= 82, 83, &end # # 6 CYSS QB 7 CYSS QB 5.61 (#peak 1128) &rst ixpk= 1128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 82, 83, igr2= 92, 93, &end # # 6 CYSS QB 11 CYSS H 5.81 (#peak 923) &rst ixpk= 923, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 82, 83, &end # # 6 CYSS QB 106 LEU H 4.49 (#peak 940) &rst ixpk= 940, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 82, 83, &end # # 6 CYSS QB 106 LEU QB 5.61 (#peak 1144) &rst ixpk= 1144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 82, 83, igr2= 404, 405, &end # # 6 CYSS QB 106 LEU QQD 6.62 (#peak 1145) &rst ixpk= 1145, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1= 82, 83, &end # # 6 CYSS QB 111 LEU QQD 6.02 (#peak 839) &rst ixpk= 839, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 82, 83, &end # # 7 CYSS H 7 CYSS QB 2.88 (#peak 18) &rst ixpk= 18, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr2= 92, 93, &end # # 7 CYSS HA 105 HIS QB 5.00 (#peak 600) &rst ixpk= 600, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 387, 388, &end # # 7 CYSS QB 8 THR H 3.08 (#peak 184) &rst ixpk= 184, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1= 92, 93, &end # # 7 CYSS QB 8 THR QG2 6.19 (#peak 845) &rst ixpk= 845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr1= 92, 93, igr2= 104, 105, 106, &end # # 7 CYSS QB 106 LEU H 5.81 (#peak 1095) &rst ixpk= 1095, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 92, 93, &end # # 7 CYSS QB 107 CYSS HA 4.54 (#peak 650) &rst ixpk= 650, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 92, 93, &end # # 7 CYSS QB 107 CYSS QB 5.18 (#peak 1096) &rst ixpk= 1096, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 92, 93, igr2= 423, 424, &end # # 8 THR QG2 9 SER QB 6.13 (#peak 1083) &rst ixpk= 1083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76, igr1= 104, 105, 106, igr2= 116, 117, &end # # 9 SER HA 10 ILE QG1 5.81 (#peak 1029) &rst ixpk= 1029, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 133, 134, &end # # 9 SER QB 10 ILE H 3.47 (#peak 815) &rst ixpk= 815, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1= 116, 117, &end # # 10 ILE H 10 ILE QG1 4.53 (#peak 23) &rst ixpk= 23, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 133, 134, &end # # 10 ILE QG2 104 GLN QB 6.75 (#peak 857) &rst ixpk= 857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr1= 129, 130, 131, igr2= 370, 371, &end # # 10 ILE QG1 105 HIS HE1 5.81 (#peak 880) &rst ixpk= 880, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 133, 134, &end # # 10 ILE QD1 105 HIS QB 6.75 (#peak 1102) &rst ixpk= 1102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr1= 136, 137, 138, igr2= 387, 388, &end # # 11 CYSS HA 15 GLN QB 5.68 (#peak 1187) &rst ixpk= 1187, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 207, 208, &end # # 11 CYSS QB 12 SER H 3.15 (#peak 188) &rst ixpk= 188, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr1= 146, 147, &end # # 11 CYSS QB 15 GLN QB 5.05 (#peak 1123) &rst ixpk= 1123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 146, 147, igr2= 207, 208, &end # # 11 CYSS QB 15 GLN QG 5.37 (#peak 1122) &rst ixpk= 1122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1= 146, 147, igr2= 210, 211, &end # # 12 SER H 12 SER QB 2.94 (#peak 664) &rst ixpk= 664, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2= 156, 157, &end # # 12 SER H 15 GLN QB 3.17 (#peak 475) &rst ixpk= 475, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 207, 208, &end # # 12 SER H 15 GLN QG 4.21 (#peak 474) &rst ixpk= 474, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 210, 211, &end # # 12 SER H 15 GLN QE2 5.81 (#peak 960) &rst ixpk= 960, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 215, 216, &end # # 12 SER HA 13 LEU QQD 6.90 (#peak 1044) &rst ixpk= 1044, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 12 SER QB 13 LEU H 2.98 (#peak 190) WB &rst ixpk= 190, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr1= 156, 157, &end # # 12 SER QB 13 LEU QB 5.61 (#peak 1068) &rst ixpk= 1068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 156, 157, igr2= 167, 168, &end # # 12 SER QB 14 TYR H 3.40 (#peak 469) &rst ixpk= 469, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1= 156, 157, &end # # 12 SER QB 15 GLN H 4.36 (#peak 761) &rst ixpk= 761, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 156, 157, &end # # 13 LEU H 13 LEU QB 2.78 (#peak 27) &rst ixpk= 27, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr2= 167, 168, &end # # 13 LEU H 13 LEU QQD 5.69 (#peak 30) &rst ixpk= 30, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 13 LEU H 14 TYR QB 5.24 (#peak 963) &rst ixpk= 963, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 186, 187, &end # # 13 LEU HA 16 LEU QB 3.46 (#peak 449) &rst ixpk= 449, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 224, 225, &end # # 13 LEU QB 14 TYR H 3.18 (#peak 192) &rst ixpk= 192, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr1= 167, 168, &end # # 13 LEU QB 14 TYR HA 3.87 (#peak 734) WB &rst ixpk= 734, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1= 167, 168, &end # # 13 LEU QB 14 TYR QD 7.77 (#peak 1214) &rst ixpk= 1214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, igr1= 167, 168, igr2= 190, 199, &end # # 13 LEU QB 15 GLN H 5.74 (#peak 911) &rst ixpk= 911, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 167, 168, &end # # 13 LEU QB 17 GLU H 4.77 (#peak 1221) &rst ixpk= 1221, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 167, 168, &end # # 13 LEU QB 118 VAL QQG 6.62 (#peak 1220) &rst ixpk= 1220, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1= 167, 168, &end # # 13 LEU QQD 103 ASN H 6.90 (#peak 473) &rst ixpk= 473, nxpk= 0, iat= 169, 352, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 13 LEU QQD 104 GLN QB 6.28 (#peak 1203) &rst ixpk= 1203, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2= 370, 371, &end # # 14 TYR HA 17 GLU QB 2.82 (#peak 1076) &rst ixpk= 1076, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr2= 243, 244, &end # # 14 TYR HA 118 VAL QQG 6.45 (#peak 669) WB &rst ixpk= 669, nxpk= 0, iat= 184, 586, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.55, &end # # 14 TYR QB 15 GLN HA 4.57 (#peak 1085) &rst ixpk= 1085, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 186, 187, &end # # 14 TYR QB 15 GLN QG 5.18 (#peak 1173) &rst ixpk= 1173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, igr2= 210, 211, &end # # 14 TYR QD 17 GLU QB 7.77 (#peak 1186) &rst ixpk= 1186, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, igr1= 190, 199, igr2= 243, 244, &end # # 15 GLN H 15 GLN QB 2.93 (#peak 1164) &rst ixpk= 1164, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 207, 208, &end # # 15 GLN H 15 GLN QG 3.40 (#peak 250) &rst ixpk= 250, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 210, 211, &end # # 15 GLN H 15 GLN QE2 5.64 (#peak 391) &rst ixpk= 391, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 215, 216, &end # # 15 GLN H 16 LEU QB 4.70 (#peak 910) &rst ixpk= 910, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 224, 225, &end # # 15 GLN HA 18 ASN QB 4.02 (#peak 452) &rst ixpk= 452, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2= 258, 259, &end # # 15 GLN HA 18 ASN QD2 5.34 (#peak 632) &rst ixpk= 632, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 263, 264, &end # # 15 GLN QB 16 LEU QB 5.61 (#peak 1167) &rst ixpk= 1167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 207, 208, igr2= 224, 225, &end # # 15 GLN QB 16 LEU HG 5.81 (#peak 1166) &rst ixpk= 1166, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 207, 208, &end # # 15 GLN QB 16 LEU QQD 6.02 (#peak 1170) &rst ixpk= 1170, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 207, 208, &end # # 15 GLN QG 16 LEU H 4.94 (#peak 537) &rst ixpk= 537, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 210, 211, &end # # 16 LEU H 16 LEU QB 2.89 (#peak 700) &rst ixpk= 700, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 224, 225, &end # # 16 LEU H 16 LEU QQD 5.62 (#peak 704) &rst ixpk= 704, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 16 LEU HA 19 TYR QB 4.43 (#peak 454) &rst ixpk= 454, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 272, 273, &end # # 16 LEU QB 17 GLU H 3.09 (#peak 1198) &rst ixpk= 1198, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr1= 224, 225, &end # # 16 LEU QB 115 LEU QQD 5.12 (#peak 1208) &rst ixpk= 1208, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 224, 225, &end # # 16 LEU QB 118 VAL QQG 6.25 (#peak 1207) &rst ixpk= 1207, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 224, 225, &end # # 17 GLU H 17 GLU QB 2.71 (#peak 45) &rst ixpk= 45, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, igr2= 243, 244, &end # # 17 GLU H 17 GLU QG 3.74 (#peak 44) WB &rst ixpk= 44, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 246, 247, &end # # 17 GLU H 118 VAL QQG 6.90 (#peak 706) &rst ixpk= 706, nxpk= 0, iat= 239, 586, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 17 GLU HA 20 CYSS QB 4.77 (#peak 455) &rst ixpk= 455, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 293, 294, &end # # 17 GLU QB 18 ASN H 3.55 (#peak 252) &rst ixpk= 252, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 243, 244, &end # # 17 GLU QB 118 VAL QQG 4.93 (#peak 1179) &rst ixpk= 1179, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 243, 244, &end # # 17 GLU QG 18 ASN H 5.34 (#peak 1155) &rst ixpk= 1155, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 246, 247, &end # # 17 GLU QG 118 VAL QQG 5.26 (#peak 1168) &rst ixpk= 1168, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 246, 247, &end # # 18 ASN H 18 ASN QD2 5.81 (#peak 50) &rst ixpk= 50, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 263, 264, &end # # 18 ASN QB 19 TYR H 3.66 (#peak 198) &rst ixpk= 198, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 258, 259, &end # # 19 TYR H 19 TYR QB 2.82 (#peak 237) &rst ixpk= 237, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr2= 272, 273, &end # # 19 TYR H 20 CYSS QB 4.70 (#peak 1134) &rst ixpk= 1134, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 293, 294, &end # # 19 TYR QB 20 CYSS H 3.76 (#peak 199) &rst ixpk= 199, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 272, 273, &end # # 19 TYR QB 115 LEU QQD 5.78 (#peak 1119) &rst ixpk= 1119, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 272, 273, &end # # 19 TYR QB 125 PHE H 4.02 (#peak 1140) &rst ixpk= 1140, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 272, 273, &end # # 20 CYSS H 20 CYSS QB 3.17 (#peak 246) &rst ixpk= 246, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 293, 294, &end # # 20 CYSS HA 20 CYSS QB 2.49 (#peak 172) &rst ixpk= 172, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, igr2= 293, 294, &end # # 20 CYSS HA 124 PHE QB 5.81 (#peak 1019) &rst ixpk= 1019, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 666, 667, &end # # 20 CYSS QB 21 ASN H 3.81 (#peak 914) &rst ixpk= 914, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1= 293, 294, &end # # 20 CYSS QB 21 ASN HA 4.49 (#peak 1041) &rst ixpk= 1041, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 293, 294, &end # # 20 CYSS QB 119 CYSS H 5.81 (#peak 1146) &rst ixpk= 1146, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 293, 294, &end # # 20 CYSS QB 122 ARG QB 5.18 (#peak 1149) &rst ixpk= 1149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 293, 294, igr2= 635, 636, &end # # 20 CYSS QB 122 ARG QG 6.63 (#peak 1150) &rst ixpk= 1150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 293, 294, igr2= 638, 639, &end # # 20 CYSS QB 122 ARG HE 5.81 (#peak 1147) &rst ixpk= 1147, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 293, 294, &end # # 20 CYSS QB 123 GLY H 5.81 (#peak 1151) &rst ixpk= 1151, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 293, 294, &end # # 21 ASN H 21 ASN QB 3.18 (#peak 778) &rst ixpk= 778, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 303, 304, &end # # 21 ASN H 21 ASN QD2 4.81 (#peak 60) &rst ixpk= 60, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 308, 309, &end # # 21 ASN QB 122 ARG QB 5.61 (#peak 1152) &rst ixpk= 1152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 303, 304, igr2= 635, 636, &end # # 102 VAL H 104 GLN QG 5.81 (#peak 1174) WB &rst ixpk= 1174, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.52, igr2= 373, 374, &end # # 102 VAL HA 103 ASN QB 5.00 (#peak 1079) &rst ixpk= 1079, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 356, 357, &end # # 103 ASN H 103 ASN QB 3.55 (#peak 63) &rst ixpk= 63, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 356, 357, &end # # 103 ASN HA 104 GLN QB 4.88 (#peak 1038) &rst ixpk= 1038, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 370, 371, &end # # 103 ASN HA 106 LEU QQD 6.90 (#peak 1039) &rst ixpk= 1039, nxpk= 0, iat= 354, 406, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 103 ASN QD2 104 GLN H 5.81 (#peak 1005) &rst ixpk= 1005, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 361, 362, &end # # 104 GLN H 104 GLN QB 3.24 (#peak 703) &rst ixpk= 703, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 370, 371, &end # # 104 GLN H 104 GLN QE2 5.81 (#peak 1002) &rst ixpk= 1002, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 378, 379, &end # # 104 GLN HA 104 GLN QE2 5.81 (#peak 1059) &rst ixpk= 1059, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 378, 379, &end # # 104 GLN HA 105 HIS QB 5.81 (#peak 1056) &rst ixpk= 1056, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 387, 388, &end # # 104 GLN QB 105 HIS H 2.98 (#peak 209) &rst ixpk= 209, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr1= 370, 371, &end # # 104 GLN QB 106 LEU HG 5.81 (#peak 1181) &rst ixpk= 1181, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 370, 371, &end # # 104 GLN QB 106 LEU QQD 6.62 (#peak 1202) &rst ixpk= 1202, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr1= 370, 371, &end # # 105 HIS H 105 HIS QB 2.76 (#peak 70) &rst ixpk= 70, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, igr2= 387, 388, &end # # 105 HIS H 106 LEU QB 5.47 (#peak 982) &rst ixpk= 982, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2= 404, 405, &end # # 106 LEU H 106 LEU QB 3.13 (#peak 73) &rst ixpk= 73, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 404, 405, &end # # 106 LEU H 106 LEU QQD 5.92 (#peak 77) &rst ixpk= 77, nxpk= 0, iat= 400, 406, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 106 LEU H 111 LEU QQD 6.90 (#peak 952) &rst ixpk= 952, nxpk= 0, iat= 400, 470, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 106 LEU QB 107 CYSS H 3.37 (#peak 835) &rst ixpk= 835, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 404, 405, &end # # 106 LEU QB 111 LEU HA 5.81 (#peak 736) &rst ixpk= 736, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 404, 405, &end # # 106 LEU QB 111 LEU QB 4.76 (#peak 1201) &rst ixpk= 1201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 404, 405, igr2= 468, 469, &end # # 106 LEU QB 111 LEU QQD 4.90 (#peak 1249) &rst ixpk= 1249, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 404, 405, &end # # 106 LEU QQD 107 CYSS H 4.99 (#peak 640) &rst ixpk= 640, nxpk= 0, iat= 406, 419, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 106 LEU QQD 110 HIS QB 6.02 (#peak 631) &rst ixpk= 631, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr2= 451, 452, &end # # 106 LEU QQD 114 ALA QB 6.01 (#peak 1229) &rst ixpk= 1229, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, igr2= 518, 519, 520, &end # # 107 CYSS H 107 CYSS QB 3.13 (#peak 759) &rst ixpk= 759, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 423, 424, &end # # 107 CYSS H 110 HIS QB 3.29 (#peak 495) &rst ixpk= 495, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 451, 452, &end # # 107 CYSS HA 108 GLY QA 4.81 (#peak 1015) &rst ixpk= 1015, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 431, 432, &end # # 107 CYSS HA 111 LEU QB 3.84 (#peak 1012) &rst ixpk= 1012, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 468, 469, &end # # 107 CYSS HA 111 LEU QQD 5.86 (#peak 673) &rst ixpk= 673, nxpk= 0, iat= 421, 470, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 107 CYSS QB 108 GLY H 3.13 (#peak 558) WB &rst ixpk= 558, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr1= 423, 424, &end # # 108 GLY H 108 GLY QA 2.57 (#peak 927) &rst ixpk= 927, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, igr2= 431, 432, &end # # 108 GLY H 111 LEU QB 4.14 (#peak 944) &rst ixpk= 944, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 468, 469, &end # # 108 GLY QA 109 SER H 2.71 (#peak 530) &rst ixpk= 530, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, igr1= 431, 432, &end # # 109 SER H 110 HIS QB 4.56 (#peak 931) WB &rst ixpk= 931, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2= 451, 452, &end # # 109 SER H 112 VAL QQG 6.90 (#peak 951) &rst ixpk= 951, nxpk= 0, iat= 436, 486, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 110 HIS H 110 HIS QB 2.96 (#peak 80) &rst ixpk= 80, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2= 451, 452, &end # # 110 HIS HA 113 GLU QB 3.48 (#peak 457) &rst ixpk= 457, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr2= 503, 504, &end # # 110 HIS QB 111 LEU HA 4.94 (#peak 1127) &rst ixpk= 1127, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 451, 452, &end # # 110 HIS QB 114 ALA QB 6.75 (#peak 1130) &rst ixpk= 1130, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr1= 451, 452, igr2= 518, 519, 520, &end # # 111 LEU H 111 LEU QB 2.94 (#peak 716) &rst ixpk= 716, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2= 468, 469, &end # # 111 LEU HA 111 LEU QB 2.62 (#peak 287) &rst ixpk= 287, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, igr2= 468, 469, &end # # 111 LEU QB 112 VAL H 3.25 (#peak 715) &rst ixpk= 715, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr1= 468, 469, &end # # 111 LEU QB 112 VAL HA 5.22 (#peak 1110) &rst ixpk= 1110, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 468, 469, &end # # 111 LEU HG 115 LEU QQD 5.69 (#peak 1223) &rst ixpk= 1223, nxpk= 0, iat= 471, 530, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 112 VAL HA 115 LEU QB 4.50 (#peak 1246) &rst ixpk= 1246, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 528, 529, &end # # 112 VAL HA 115 LEU QQD 5.69 (#peak 846) &rst ixpk= 846, nxpk= 0, iat= 485, 530, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 112 VAL QQG 126 TYR QB 6.62 (#peak 1139) &rst ixpk= 1139, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr2= 706, 707, &end # # 113 GLU H 113 GLU QB 2.89 (#peak 802) &rst ixpk= 802, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 503, 504, &end # # 115 LEU H 115 LEU QB 2.64 (#peak 90) &rst ixpk= 90, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, igr2= 528, 529, &end # # 115 LEU H 118 VAL QQG 6.90 (#peak 848) &rst ixpk= 848, nxpk= 0, iat= 524, 586, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 115 LEU HA 118 VAL QQG 5.38 (#peak 671) &rst ixpk= 671, nxpk= 0, iat= 526, 586, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 115 LEU QB 116 TYR H 3.01 (#peak 221) &rst ixpk= 221, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr1= 528, 529, &end # # 115 LEU QB 116 TYR QB 6.62 (#peak 1211) &rst ixpk= 1211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr1= 528, 529, igr2= 547, 548, &end # # 115 LEU QQD 118 VAL HB 6.90 (#peak 1178) &rst ixpk= 1178, nxpk= 0, iat= 530, 587, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 115 LEU QQD 118 VAL QQG 7.68 (#peak 740) &rst ixpk= 740, nxpk= 0, iat= 530, 586, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, &end # # 115 LEU QQD 124 PHE QB 6.62 (#peak 1137) &rst ixpk= 1137, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, igr2= 666, 667, &end # # 115 LEU QQD 124 PHE QE 8.91 (#peak 821) &rst ixpk= 821, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, igr2= 672, 676, &end # # 115 LEU QQD 126 TYR QB 5.92 (#peak 837) &rst ixpk= 837, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr2= 706, 707, &end # # 116 TYR HA 117 LEU QQD 6.90 (#peak 1071) &rst ixpk= 1071, nxpk= 0, iat= 545, 570, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end # # 116 TYR QB 117 LEU QB 6.62 (#peak 1194) &rst ixpk= 1194, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr1= 547, 548, igr2= 568, 569, &end # # 116 TYR QB 117 LEU QQD 7.73 (#peak 630) &rst ixpk= 630, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18, igr1= 547, 548, &end # # 117 LEU H 117 LEU QB 2.95 (#peak 711) &rst ixpk= 711, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2= 568, 569, &end # # 117 LEU HA 117 LEU QB 2.62 (#peak 308) &rst ixpk= 308, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, igr2= 568, 569, &end # # 117 LEU HA 117 LEU QQD 4.29 (#peak 668) &rst ixpk= 668, nxpk= 0, iat= 566, 570, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 117 LEU QB 118 VAL HA 4.53 (#peak 1094) &rst ixpk= 1094, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 568, 569, &end # # 117 LEU QB 118 VAL QQG 5.67 (#peak 1193) &rst ixpk= 1193, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 568, 569, &end # # 118 VAL H 118 VAL QQG 3.95 (#peak 586) &rst ixpk= 586, nxpk= 0, iat= 583, 586, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 118 VAL H 119 CYSS QB 5.24 (#peak 978) &rst ixpk= 978, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 603, 604, &end # # 118 VAL QQG 119 CYSS HA 5.44 (#peak 859) &rst ixpk= 859, nxpk= 0, iat= 586, 601, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 118 VAL QQG 119 CYSS QB 5.76 (#peak 1131) &rst ixpk= 1131, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2= 603, 604, &end # # 119 CYSS H 119 CYSS QB 2.86 (#peak 96) &rst ixpk= 96, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, igr2= 603, 604, &end # # 119 CYSS HA 119 CYSS QB 2.49 (#peak 1021) &rst ixpk= 1021, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, igr2= 603, 604, &end # # 119 CYSS HA 122 ARG QB 4.07 (#peak 1023) &rst ixpk= 1023, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 635, 636, &end # # 119 CYSS QB 123 GLY H 4.29 (#peak 506) &rst ixpk= 506, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 603, 604, &end # # 119 CYSS QB 123 GLY QA 4.66 (#peak 1091) &rst ixpk= 1091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 603, 604, igr2= 657, 658, &end # # 119 CYSS QB 124 PHE QB 4.07 (#peak 1133) &rst ixpk= 1133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 603, 604, igr2= 666, 667, &end # # 119 CYSS QB 124 PHE QD 7.77 (#peak 575) &rst ixpk= 575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, igr1= 603, 604, igr2= 670, 678, &end # # 119 CYSS QB 124 PHE QE 7.78 (#peak 773) &rst ixpk= 773, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 603, 604, igr2= 672, 676, &end # # 121 GLU H 121 GLU QB 3.52 (#peak 568) &rst ixpk= 568, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 620, 621, &end # # 121 GLU QB 122 ARG H 3.71 (#peak 800) &rst ixpk= 800, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 620, 621, &end # # 122 ARG H 122 ARG QB 2.97 (#peak 710) &rst ixpk= 710, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, igr2= 635, 636, &end # # 122 ARG HA 122 ARG QB 2.54 (#peak 321) &rst ixpk= 321, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, igr2= 635, 636, &end # # 122 ARG QB 122 ARG HE 5.26 (#peak 438) &rst ixpk= 438, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 635, 636, &end # # 122 ARG QB 123 GLY H 3.93 (#peak 228) &rst ixpk= 228, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 635, 636, &end # # 123 GLY QA 124 PHE QB 5.01 (#peak 1089) &rst ixpk= 1089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 657, 658, igr2= 666, 667, &end # # 124 PHE H 124 PHE QB 2.95 (#peak 110) WB &rst ixpk= 110, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 666, 667, &end # # 124 PHE HA 125 PHE QB 4.22 (#peak 1031) &rst ixpk= 1031, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 686, 687, &end # # 124 PHE QB 125 PHE H 3.45 (#peak 233) &rst ixpk= 233, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 666, 667, &end # # 124 PHE QE 126 TYR QB 7.78 (#peak 1138) &rst ixpk= 1138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 672, 676, igr2= 706, 707, &end # # 125 PHE H 125 PHE QB 3.24 (#peak 114) &rst ixpk= 114, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 686, 687, &end # # 125 PHE QB 126 TYR H 4.43 (#peak 818) &rst ixpk= 818, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 686, 687, &end # # 126 TYR H 126 TYR QB 2.99 (#peak 116) &rst ixpk= 116, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 706, 707, &end # # 126 TYR QB 127 THR H 3.98 (#peak 791) &rst ixpk= 791, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 706, 707, &end # # 126 TYR QE 128 PRO QB 7.78 (#peak 1176) &rst ixpk= 1176, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 712, 717, igr2= 744, 745, &end # # 126 TYR QE 128 PRO QG 7.78 (#peak 889) &rst ixpk= 889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 712, 717, igr2= 741, 742, &end # # 127 THR QG2 128 PRO QB 6.75 (#peak 1240) &rst ixpk= 1240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr1= 729, 730, 731, igr2= 744, 745, &end # # 128 PRO HA 129 LYS QB 4.70 (#peak 1065) &rst ixpk= 1065, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 755, 756, &end # # 6 CYSS SG 11 CYSS SG 2.10 &rst ixpk= 1065, nxpk= 0, iat= 84, 148, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end # # 6 CYSS SG 11 CYSS CB 3.10 &rst ixpk= 1065, nxpk= 0, iat= 84, 145, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 6 CYSS CB 11 CYSS SG 3.10 &rst ixpk= 1065, nxpk= 0, iat= 81, 148, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 7 CYSS SG 107 CYSS SG 2.10 &rst ixpk= 1065, nxpk= 0, iat= 94, 425, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end # # 7 CYSS SG 107 CYSS CB 3.10 &rst ixpk= 1065, nxpk= 0, iat= 94, 422, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 7 CYSS CB 107 CYSS SG 3.10 &rst ixpk= 1065, nxpk= 0, iat= 91, 425, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 20 CYSS SG 119 CYSS SG 2.10 &rst ixpk= 1065, nxpk= 0, iat= 295, 605, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end # # 20 CYSS SG 119 CYSS CB 3.10 &rst ixpk= 1065, nxpk= 0, iat= 295, 602, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 20 CYSS CB 119 CYSS SG 3.10 &rst ixpk= 1065, nxpk= 0, iat= 292, 605, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
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