NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
571979 |
2mbd   |
19396 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 11 ALA H 11 ALA QB 2.70 (#peak 1 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 171, 172, 173,
&end
#
# 9 ALA H 9 ALA QB 2.69 (#peak 2 #SUP 0.92 #QF 0.92)
&rst
ixpk= 2, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 142, 143, 144,
&end
#
# 8 CYSS H 8 CYSS HB2 3.08 (#peak 3 #SUP 0.86 #QF 0.86)
&rst
ixpk= 3, nxpk= 0, iat= 128, 132, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 10 ILE H 10 ILE HB 3.09 (#peak 6 #SUP 0.90 #QF 0.90)
&rst
ixpk= 6, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 3 PRO HA 4 ARG H 2.64 (#peak 15 #SUP 0.50 #QF 0.50)
&rst
ixpk= 15, nxpk= 0, iat= 40, 44, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 25 CYSS H 25 CYSS HB3 3.21 (#peak 17 #SUP 0.90 #QF 0.90)
&rst
ixpk= 17, nxpk= 0, iat= 401, 406, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 26 LYS H 26 LYS HA 2.86 (#peak 18 #SUP 0.95 #QF 0.95)
&rst
ixpk= 18, nxpk= 0, iat= 411, 413, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 1 GLY QA 2 LEU H 2.88 (#peak 32 #SUP 0.85 #QF 0.85)
&rst
ixpk= 32, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 6, 7,
&end
#
# 18 LYS H 19 GLY H 4.69 (#peak 33 #SUP 0.98 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat= 282, 304, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 19 GLY H 22 LYS H 5.02 (#peak 34 #SUP 0.98 #QF 0.98)
&rst
ixpk= 34, nxpk= 0, iat= 304, 344, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 7 LEU H 8 CYSS H 3.11 (#peak 35 #SUP 0.78 #QF 0.78)
&rst
ixpk= 35, nxpk= 0, iat= 109, 128, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 8 CYSS H 9 ALA H 3.12 (#peak 36 #SUP 0.92 #QF 0.92)
&rst
ixpk= 36, nxpk= 0, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 4 ARG H 6 ILE H 4.87 (#peak 37 #SUP 0.95 #QF 0.50)
&rst
ixpk= 37, nxpk= 0, iat= 44, 90, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 6 ILE H 8 CYSS H 5.10 (#peak 37 #SUP 0.95 #QF 0.50)
&rst
ixpk= 37, nxpk= 0, iat= 90, 128, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 8 CYSS H 11 ALA H 4.99 (#peak 38 #SUP 0.99 #QF 0.99)
&rst
ixpk= 38, nxpk= 0, iat= 128, 167, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 5 LYS H 6 ILE H 3.40 (#peak 39 #SUP 0.88 #QF 0.88)
&rst
ixpk= 39, nxpk= 0, iat= 68, 90, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 4 ARG H 4 ARG HE 5.50 (#peak 40 #SUP 1.00)
&rst
ixpk= 40, nxpk= 0, iat= 44, 57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 CYSS H 18 LYS H 4.39 (#peak 42 #SUP 0.98 #QF 0.98)
&rst
ixpk= 42, nxpk= 0, iat= 272, 282, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 5 LYS H 7 LEU H 4.92 (#peak 44 #SUP 0.86 #QF 0.86)
&rst
ixpk= 44, nxpk= 0, iat= 68, 109, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 15 GLY H 16 LYS H 3.33 (#peak 45 #SUP 0.89 #QF 0.89)
&rst
ixpk= 45, nxpk= 0, iat= 243, 250, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 14 LYS H 16 LYS H 4.55 (#peak 46 #SUP 0.98 #QF 0.98)
&rst
ixpk= 46, nxpk= 0, iat= 221, 250, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 25 CYSS H 26 LYS H 3.19 (#peak 47 #SUP 0.91 #QF 0.91)
&rst
ixpk= 47, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 24 VAL H 25 CYSS H 2.88 (#peak 48 #SUP 0.90 #QF 0.90)
&rst
ixpk= 48, nxpk= 0, iat= 385, 401, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 25 CYSS H 27 CYSS H 5.42 (#peak 49 #SUP 0.99 #QF 0.99)
&rst
ixpk= 49, nxpk= 0, iat= 401, 433, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 22 LYS H 25 CYSS H 5.22 (#peak 50 #SUP 0.97 #QF 0.97)
&rst
ixpk= 50, nxpk= 0, iat= 344, 401, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 10 ILE H 11 ALA H 3.18 (#peak 51 #SUP 0.94 #QF 0.94)
&rst
ixpk= 51, nxpk= 0, iat= 148, 167, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 9 ALA H 10 ILE H 3.16 (#peak 52 #SUP 0.91 #QF 0.91)
&rst
ixpk= 52, nxpk= 0, iat= 138, 148, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 6 ILE H 7 LEU H 2.97 (#peak 53 #SUP 0.90 #QF 0.90)
&rst
ixpk= 53, nxpk= 0, iat= 90, 109, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 12 LYS H 13 LYS H 3.25 (#peak 54 #SUP 0.85 #QF 0.85)
&rst
ixpk= 54, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 14 LYS H 15 GLY H 3.38 (#peak 55 #SUP 0.90 #QF 0.90)
&rst
ixpk= 55, nxpk= 0, iat= 221, 243, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 13 LYS H 14 LYS H 3.24 (#peak 56 #SUP 0.86 #QF 0.86)
&rst
ixpk= 56, nxpk= 0, iat= 199, 221, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 9 ALA H 11 ALA H 4.64 (#peak 57 #SUP 0.96 #QF 0.96)
&rst
ixpk= 57, nxpk= 0, iat= 138, 167, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 VAL H 26 LYS H 5.14 (#peak 58 #SUP 0.99 #QF 0.99)
&rst
ixpk= 58, nxpk= 0, iat= 385, 411, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 LYS H 27 CYSS H 3.67 (#peak 59 #SUP 0.97 #QF 0.97)
&rst
ixpk= 59, nxpk= 0, iat= 411, 433, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 22 LYS H 23 LEU H 3.08 (#peak 60 #SUP 0.77 #QF 0.77)
&rst
ixpk= 60, nxpk= 0, iat= 344, 366, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 4 ARG HA 4 ARG HE 5.37 (#peak 62 #SUP 1.00)
&rst
ixpk= 62, nxpk= 0, iat= 46, 57, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 17 CYSS H 17 CYSS HB3 3.36 (#peak 66 #SUP 0.92 #QF 0.92)
&rst
ixpk= 66, nxpk= 0, iat= 272, 277, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 17 CYSS H 17 CYSS HB2 3.74 (#peak 67 #SUP 0.95 #QF 0.95)
&rst
ixpk= 67, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 27 CYSS H 27 CYSS HB2 3.97 (#peak 68 #SUP 0.92 #QF 0.92)
&rst
ixpk= 68, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 27 CYSS H 27 CYSS HB3 3.97 (#peak 69 #SUP 0.99 #QF 0.99)
&rst
ixpk= 69, nxpk= 0, iat= 433, 438, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 4 ARG HB2 4 ARG QD 3.99 (#peak 71 #SUP 0.85 #QF 0.85)
&rst
ixpk= 71, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 54, 55,
&end
#
# 4 ARG HB3 4 ARG QD 3.99 (#peak 72 #SUP 0.93 #QF 0.93)
&rst
ixpk= 72, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 54, 55,
&end
#
# 12 LYS H 12 LYS HB2 3.61 (#peak 74 #SUP 0.87 #QF 0.87)
&rst
ixpk= 74, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 12 LYS H 12 LYS HB3 3.61 (#peak 75 #SUP 0.91 #QF 0.91)
&rst
ixpk= 75, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 12 LYS H 12 LYS QG 4.42 (#peak 76 #SUP 0.98 #QF 0.98)
&rst
ixpk= 76, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 184, 185,
&end
#
# 13 LYS H 13 LYS QB 2.72 (#peak 77 #SUP 0.85 #QF 0.85)
&rst
ixpk= 77, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 203, 204,
&end
#
# 12 LYS QG 13 LYS H 5.13 (#peak 78 #SUP 1.00 #QF 0.37)
&rst
ixpk= 78, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 184, 185,
&end
#
# 13 LYS H 13 LYS HG3 5.39 (#peak 78 #SUP 1.00 #QF 0.37)
&rst
ixpk= 78, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 9 ALA QB 13 LYS H 4.98 (#peak 79 #SUP 0.99 #QF 0.39)
&rst
ixpk= 79, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 142, 143, 144,
&end
#
# 13 LYS H 13 LYS HG2 5.39 (#peak 79 #SUP 0.99 #QF 0.39)
&rst
ixpk= 79, nxpk= 0, iat= 199, 206, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 12 LYS H 12 LYS QE 5.50 (#peak 80 #SUP 1.00)
&rst
ixpk= 80, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 190, 191,
&end
#
# 14 LYS H 14 LYS HD2 3.96 (#peak 81 #SUP 0.98 #QF 0.98)
&rst
ixpk= 81, nxpk= 0, iat= 221, 231, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 14 LYS H 14 LYS HD3 3.96 (#peak 82 #SUP 0.99 #QF 0.99)
&rst
ixpk= 82, nxpk= 0, iat= 221, 232, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 22 LYS H 22 LYS QD 4.51 (#peak 83 #SUP 0.98 #QF 0.98)
&rst
ixpk= 83, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 354, 355,
&end
#
# 26 LYS H 26 LYS HB3 4.17 (#peak 84 #SUP 0.99 #QF 0.99)
&rst
ixpk= 84, nxpk= 0, iat= 411, 416, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 LYS H 26 LYS HB2 4.17 (#peak 85 #SUP 0.98 #QF 0.98)
&rst
ixpk= 85, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 19 GLY H 21 LEU H 5.43 (#peak 86 #SUP 0.87 #QF 0.87)
&rst
ixpk= 86, nxpk= 0, iat= 304, 325, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 6 ILE QG2 8 CYSS H 4.86 (#peak 87 #SUP 0.96 #QF 0.96)
&rst
ixpk= 87, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 96, 97, 98,
&end
#
# 7 LEU QD1 8 CYSS H 5.50 (#peak 88 #SUP 0.93 #QF 0.23)
&rst
ixpk= 88, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 118, 119, 120,
&end
#
# 4 ARG H 24 VAL QG1 5.50 (#peak 88 #SUP 0.93 #QF 0.23)
&rst
ixpk= 88, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 391, 392, 393,
&end
#
# 7 LEU QD2 8 CYSS H 5.50 (#peak 89 #SUP 0.92 #QF 0.86)
&rst
ixpk= 89, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 122, 123, 124,
&end
#
# 5 LYS H 6 ILE QD1 5.50 (#peak 90 #SUP 0.83 #QF 0.83)
&rst
ixpk= 90, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 103, 104, 105,
&end
#
# 2 LEU H 2 LEU QD1 5.10 (#peak 91 #SUP 0.95 #QF 0.62)
&rst
ixpk= 91, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 20, 21, 22,
&end
#
# 2 LEU H 2 LEU QD2 5.10 (#peak 91 #SUP 0.95 #QF 0.62)
&rst
ixpk= 91, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 24, 25, 26,
&end
#
# 18 LYS QG 19 GLY H 4.91 (#peak 94 #SUP 0.94 #QF 0.94)
&rst
ixpk= 94, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 289, 290,
&end
#
# 18 LYS HB3 19 GLY H 4.00 (#peak 95 #SUP 0.94 #QF 0.94)
&rst
ixpk= 95, nxpk= 0, iat= 287, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 GLY H 22 LYS HB2 5.22 (#peak 96 #SUP 0.89 #QF 0.89)
&rst
ixpk= 96, nxpk= 0, iat= 304, 348, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 19 GLY H 22 LYS QD 5.32 (#peak 97 #SUP 0.94 #QF 0.94)
&rst
ixpk= 97, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 354, 355,
&end
#
# 18 LYS HB2 19 GLY H 4.00 (#peak 98 #SUP 0.95 #QF 0.78)
&rst
ixpk= 98, nxpk= 0, iat= 286, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 GLY H 22 LYS HB3 4.45 (#peak 98 #SUP 0.95 #QF 0.78)
&rst
ixpk= 98, nxpk= 0, iat= 304, 349, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 8 CYSS H 9 ALA QB 4.49 (#peak 99 #SUP 0.89 #QF 0.89)
&rst
ixpk= 99, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 142, 143, 144,
&end
#
# 8 CYSS H 11 ALA QB 4.97 (#peak 100 #SUP 0.93 #QF 0.93)
&rst
ixpk= 100, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 171, 172, 173,
&end
#
# 4 ARG H 4 ARG QG 3.26 (#peak 101 #SUP 0.89 #QF 0.50)
&rst
ixpk= 101, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 51, 52,
&end
#
# 7 LEU QB 8 CYSS H 3.60 (#peak 101 #SUP 0.89 #QF 0.50)
&rst
ixpk= 101, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 113, 114,
&end
#
# 3 PRO QG 4 ARG H 4.98 (#peak 102 #SUP 0.98 #QF 0.98)
&rst
ixpk= 102, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 34, 35,
&end
#
# 3 PRO QG 5 LYS H 5.50 (#peak 103 #SUP 0.95 #QF 0.95)
&rst
ixpk= 103, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 34, 35,
&end
#
# 16 LYS HB2 17 CYSS H 4.75 (#peak 104 #SUP 0.58 #QF 0.58)
&rst
ixpk= 104, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 4 ARG H 4 ARG HB2 3.66 (#peak 105 #SUP 0.88 #QF 0.88)
&rst
ixpk= 105, nxpk= 0, iat= 44, 48, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 5 LYS H 5 LYS HB2 3.76 (#peak 107 #SUP 0.80 #QF 0.80)
&rst
ixpk= 107, nxpk= 0, iat= 68, 72, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 4 ARG H 4 ARG HB3 3.66 (#peak 108 #SUP 0.95 #QF 0.95)
&rst
ixpk= 108, nxpk= 0, iat= 44, 49, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 5 LYS H 5 LYS HB3 3.76 (#peak 109 #SUP 0.89 #QF 0.89)
&rst
ixpk= 109, nxpk= 0, iat= 68, 73, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 4 ARG QG 5 LYS H 5.02 (#peak 110 #SUP 1.00 #QF 0.91)
&rst
ixpk= 110, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 51, 52,
&end
#
# 5 LYS H 5 LYS QD 5.49 (#peak 110 #SUP 1.00 #QF 0.91)
&rst
ixpk= 110, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 78, 79,
&end
#
# 16 LYS HB3 17 CYSS H 4.44 (#peak 111 #SUP 0.89 #QF 0.89)
&rst
ixpk= 111, nxpk= 0, iat= 255, 272, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 5 LYS H 5 LYS QG 4.35 (#peak 112 #SUP 1.00)
&rst
ixpk= 112, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 75, 76,
&end
#
# 11 ALA QB 17 CYSS H 5.25 (#peak 113 #SUP 0.96 #QF 0.91)
&rst
ixpk= 113, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 171, 172, 173,
&end
#
# 17 CYSS H 18 LYS QG 4.66 (#peak 114 #SUP 0.41 #QF 0.41)
&rst
ixpk= 114, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 289, 290,
&end
#
# 2 LEU H 2 LEU HG 3.96 (#peak 115 #SUP 0.80 #QF 0.80)
&rst
ixpk= 115, nxpk= 0, iat= 11, 18, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 2 LEU H 2 LEU HB2 4.16 (#peak 116 #SUP 0.83 #QF 0.83)
&rst
ixpk= 116, nxpk= 0, iat= 11, 15, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 2 LEU H 2 LEU HB3 4.16 (#peak 117 #SUP 0.86 #QF 0.86)
&rst
ixpk= 117, nxpk= 0, iat= 11, 16, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 14 LYS HB3 16 LYS H 5.02 (#peak 118 #SUP 0.83 #QF 0.83)
&rst
ixpk= 118, nxpk= 0, iat= 226, 250, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 LYS H 16 LYS HB3 3.50 (#peak 119 #SUP 0.79 #QF 0.79)
&rst
ixpk= 119, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LYS H 16 LYS HB2 4.07 (#peak 120 #SUP 0.69 #QF 0.69)
&rst
ixpk= 120, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 LYS HB2 16 LYS H 5.02 (#peak 121 #SUP 0.95 #QF 0.95)
&rst
ixpk= 121, nxpk= 0, iat= 225, 250, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 24 VAL HB 25 CYSS H 3.47 (#peak 122 #SUP 0.98 #QF 0.98)
&rst
ixpk= 122, nxpk= 0, iat= 389, 401, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 21 LEU HB3 25 CYSS H 5.50 (#peak 123 #SUP 0.40 #QF 0.40)
&rst
ixpk= 123, nxpk= 0, iat= 330, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HB3 25 CYSS H 5.50 (#peak 124 #SUP 0.98 #QF 0.98)
&rst
ixpk= 124, nxpk= 0, iat= 371, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 CYSS H 26 LYS QG 5.50 (#peak 125 #SUP 0.53 #QF 0.53)
&rst
ixpk= 125, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419,
&end
#
# 11 ALA QB 16 LYS H 4.67 (#peak 126 #SUP 0.94 #QF 0.91)
&rst
ixpk= 126, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 171, 172, 173,
&end
#
# 16 LYS H 16 LYS HG2 5.06 (#peak 126 #SUP 0.94 #QF 0.91)
&rst
ixpk= 126, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 16 LYS H 16 LYS HG3 5.06 (#peak 127 #SUP 0.89 #QF 0.89)
&rst
ixpk= 127, nxpk= 0, iat= 250, 258, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 24 VAL QG2 25 CYSS H 4.00 (#peak 128 #SUP 1.00)
&rst
ixpk= 128, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 395, 396, 397,
&end
#
# 21 LEU QD1 25 CYSS H 5.50 (#peak 129 #SUP 0.93 #QF 0.93)
&rst
ixpk= 129, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 334, 335, 336,
&end
#
# 24 VAL QG1 25 CYSS H 3.74 (#peak 130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 130, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 391, 392, 393,
&end
#
# 21 LEU QD2 25 CYSS H 5.50 (#peak 131 #SUP 0.98 #QF 0.98)
&rst
ixpk= 131, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 338, 339, 340,
&end
#
# 9 ALA QB 10 ILE H 3.13 (#peak 133 #SUP 0.86 #QF 0.86)
&rst
ixpk= 133, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 142, 143, 144,
&end
#
# 10 ILE H 11 ALA QB 4.70 (#peak 135 #SUP 0.99 #QF 0.99)
&rst
ixpk= 135, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 171, 172, 173,
&end
#
# 11 ALA QB 12 LYS H 3.26 (#peak 136 #SUP 0.97 #QF 0.97)
&rst
ixpk= 136, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 171, 172, 173,
&end
#
# 6 ILE QG2 7 LEU H 3.75 (#peak 138 #SUP 0.97 #QF 0.97)
&rst
ixpk= 138, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 96, 97, 98,
&end
#
# 7 LEU H 7 LEU QD1 4.50 (#peak 139 #SUP 0.93 #QF 0.93)
&rst
ixpk= 139, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 118, 119, 120,
&end
#
# 10 ILE H 10 ILE QG2 3.87 (#peak 140 #SUP 0.96 #QF 0.96)
&rst
ixpk= 140, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 154, 155, 156,
&end
#
# 7 LEU H 7 LEU QD2 4.50 (#peak 141 #SUP 0.93 #QF 0.93)
&rst
ixpk= 141, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 122, 123, 124,
&end
#
# 10 ILE H 10 ILE QD1 3.92 (#peak 142 #SUP 0.96 #QF 0.96)
&rst
ixpk= 142, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 161, 162, 163,
&end
#
# 24 VAL QG1 26 LYS H 5.50 (#peak 146 #SUP 0.98 #QF 0.98)
&rst
ixpk= 146, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 391, 392, 393,
&end
#
# 10 ILE QG2 11 ALA H 3.54 (#peak 147 #SUP 1.00)
&rst
ixpk= 147, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 154, 155, 156,
&end
#
# 10 ILE QD1 11 ALA H 4.78 (#peak 148 #SUP 0.96 #QF 0.96)
&rst
ixpk= 148, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 161, 162, 163,
&end
#
# 10 ILE HB 11 ALA H 3.25 (#peak 149 #SUP 0.93 #QF 0.93)
&rst
ixpk= 149, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 13 LYS QB 14 LYS H 3.29 (#peak 150 #SUP 0.80 #QF 0.80)
&rst
ixpk= 150, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 203, 204,
&end
#
# 14 LYS H 14 LYS QG 4.01 (#peak 152 #SUP 0.89 #QF 0.89)
&rst
ixpk= 152, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 228, 229,
&end
#
# 24 VAL HB 26 LYS H 5.50 (#peak 154 #SUP 0.96 #QF 0.96)
&rst
ixpk= 154, nxpk= 0, iat= 389, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ALA QB 15 GLY H 5.14 (#peak 155 #SUP 0.53 #QF 0.53)
&rst
ixpk= 155, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 171, 172, 173,
&end
#
# 11 ALA QB 13 LYS H 4.62 (#peak 156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 156, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 171, 172, 173,
&end
#
# 14 LYS HB2 15 GLY H 4.78 (#peak 157 #SUP 0.98 #QF 0.98)
&rst
ixpk= 157, nxpk= 0, iat= 225, 243, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 14 LYS HB3 15 GLY H 4.78 (#peak 158 #SUP 0.85 #QF 0.85)
&rst
ixpk= 158, nxpk= 0, iat= 226, 243, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 14 LYS HD2 15 GLY H 5.50 (#peak 159 #SUP 0.72 #QF 0.72)
&rst
ixpk= 159, nxpk= 0, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LYS HD3 15 GLY H 5.50 (#peak 160 #SUP 0.95 #QF 0.65)
&rst
ixpk= 160, nxpk= 0, iat= 232, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLY H 16 LYS HB3 5.50 (#peak 160 #SUP 0.95 #QF 0.65)
&rst
ixpk= 160, nxpk= 0, iat= 243, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LYS QG 15 GLY H 5.50 (#peak 161 #SUP 0.98 #QF 0.98)
&rst
ixpk= 161, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 228, 229,
&end
#
# 13 LYS H 13 LYS QD 4.84 (#peak 162 #SUP 0.41 #QF 0.41)
&rst
ixpk= 162, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 209, 210,
&end
#
# 10 ILE QG2 13 LYS H 5.12 (#peak 164 #SUP 0.98 #QF 0.98)
&rst
ixpk= 164, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 154, 155, 156,
&end
#
# 9 ALA H 10 ILE QD1 5.36 (#peak 165 #SUP 0.96 #QF 0.96)
&rst
ixpk= 165, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 161, 162, 163,
&end
#
# 6 ILE QG2 9 ALA H 4.64 (#peak 166 #SUP 0.97 #QF 0.97)
&rst
ixpk= 166, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 96, 97, 98,
&end
#
# 9 ALA H 10 ILE HG13 5.50 (#peak 167 #SUP 0.83 #QF 0.83)
&rst
ixpk= 167, nxpk= 0, iat= 138, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA H 11 ALA QB 5.14 (#peak 168 #SUP 0.96 #QF 0.96)
&rst
ixpk= 168, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 171, 172, 173,
&end
#
# 7 LEU QB 9 ALA H 5.15 (#peak 169 #SUP 0.96 #QF 0.96)
&rst
ixpk= 169, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 113, 114,
&end
#
# 9 ALA H 10 ILE HG12 5.50 (#peak 170 #SUP 1.00)
&rst
ixpk= 170, nxpk= 0, iat= 138, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA H 10 ILE HB 5.22 (#peak 171 #SUP 0.93 #QF 0.93)
&rst
ixpk= 171, nxpk= 0, iat= 138, 152, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 18 LYS H 21 LEU HB3 3.88 (#peak 173 #SUP 0.81 #QF 0.81)
&rst
ixpk= 173, nxpk= 0, iat= 282, 330, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 18 LYS H 21 LEU HG 5.50 (#peak 174 #SUP 0.97 #QF 0.97)
&rst
ixpk= 174, nxpk= 0, iat= 282, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS QD 27 CYSS H 4.44 (#peak 175 #SUP 0.98 #QF 0.97)
&rst
ixpk= 175, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 421, 422,
&end
#
# 18 LYS H 21 LEU HB2 4.16 (#peak 176 #SUP 0.88 #QF 0.88)
&rst
ixpk= 176, nxpk= 0, iat= 282, 329, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 LYS QD 27 CYSS H 4.76 (#peak 177 #SUP 0.94 #QF 0.94)
&rst
ixpk= 177, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 354, 355,
&end
#
# 26 LYS QG 27 CYSS H 4.31 (#peak 178 #SUP 0.87 #QF 0.87)
&rst
ixpk= 178, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 418, 419,
&end
#
# 22 LYS QG 27 CYSS H 5.09 (#peak 179 #SUP 0.97 #QF 0.97)
&rst
ixpk= 179, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 351, 352,
&end
#
# 18 LYS H 18 LYS QG 4.21 (#peak 180 #SUP 0.98 #QF 0.98)
&rst
ixpk= 180, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 289, 290,
&end
#
# 18 LYS H 21 LEU QD1 5.12 (#peak 181 #SUP 0.98 #QF 0.98)
&rst
ixpk= 181, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 334, 335, 336,
&end
#
# 18 LYS H 21 LEU QD2 5.12 (#peak 182 #SUP 0.98 #QF 0.98)
&rst
ixpk= 182, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 338, 339, 340,
&end
#
# 21 LEU H 24 VAL QG2 4.93 (#peak 183 #SUP 0.99 #QF 0.99)
&rst
ixpk= 183, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 395, 396, 397,
&end
#
# 22 LYS H 24 VAL QG2 5.09 (#peak 184 #SUP 0.92 #QF 0.92)
&rst
ixpk= 184, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 395, 396, 397,
&end
#
# 21 LEU H 21 LEU QD1 4.36 (#peak 185 #SUP 0.98 #QF 0.98)
&rst
ixpk= 185, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 334, 335, 336,
&end
#
# 21 LEU QD1 22 LYS H 5.09 (#peak 186 #SUP 0.69 #QF 0.69)
&rst
ixpk= 186, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 334, 335, 336,
&end
#
# 21 LEU H 21 LEU QD2 4.36 (#peak 187 #SUP 0.98 #QF 0.98)
&rst
ixpk= 187, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 338, 339, 340,
&end
#
# 21 LEU QD2 22 LYS H 5.09 (#peak 188 #SUP 0.92 #QF 0.92)
&rst
ixpk= 188, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 338, 339, 340,
&end
#
# 22 LYS H 22 LYS QG 4.36 (#peak 189 #SUP 0.98 #QF 0.98)
&rst
ixpk= 189, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 351, 352,
&end
#
# 21 LEU H 21 LEU HB2 3.60 (#peak 190 #SUP 0.97 #QF 0.97)
&rst
ixpk= 190, nxpk= 0, iat= 325, 329, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 22 LYS H 22 LYS HB2 3.29 (#peak 191 #SUP 0.93 #QF 0.93)
&rst
ixpk= 191, nxpk= 0, iat= 344, 348, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 21 LEU H 21 LEU HB3 3.19 (#peak 192 #SUP 0.74 #QF 0.74)
&rst
ixpk= 192, nxpk= 0, iat= 325, 330, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 22 LYS H 22 LYS HB3 3.35 (#peak 194 #SUP 0.85 #QF 0.85)
&rst
ixpk= 194, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 21 LEU HB3 22 LYS H 4.31 (#peak 195 #SUP 0.49 #QF 0.49)
&rst
ixpk= 195, nxpk= 0, iat= 330, 344, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 20 PRO HG2 21 LEU H 4.80 (#peak 196 #SUP 0.93 #QF 0.93)
&rst
ixpk= 196, nxpk= 0, iat= 315, 325, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 3 PRO QG 6 ILE H 4.74 (#peak 198 #SUP 0.97 #QF 0.97)
&rst
ixpk= 198, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 34, 35,
&end
#
# 6 ILE H 6 ILE HB 3.21 (#peak 199 #SUP 0.91 #QF 0.91)
&rst
ixpk= 199, nxpk= 0, iat= 90, 94, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 5 LYS HB2 6 ILE H 4.73 (#peak 200 #SUP 0.98 #QF 0.98)
&rst
ixpk= 200, nxpk= 0, iat= 72, 90, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 LYS HB3 23 LEU H 3.82 (#peak 201 #SUP 0.86 #QF 0.86)
&rst
ixpk= 201, nxpk= 0, iat= 349, 366, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 23 LEU H 23 LEU HB2 3.02 (#peak 202 #SUP 0.70 #QF 0.70)
&rst
ixpk= 202, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 24 VAL H 24 VAL HB 3.26 (#peak 203 #SUP 0.97 #QF 0.97)
&rst
ixpk= 203, nxpk= 0, iat= 385, 389, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 4 ARG QG 4 ARG HE 4.17 (#peak 204 #SUP 0.98 #QF 0.98)
&rst
ixpk= 204, nxpk= 0, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 51, 52,
&end
#
# 23 LEU H 23 LEU HB3 3.12 (#peak 205 #SUP 0.80 #QF 0.72)
&rst
ixpk= 205, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 23 LEU HB3 24 VAL H 3.50 (#peak 205 #SUP 0.80 #QF 0.72)
&rst
ixpk= 205, nxpk= 0, iat= 371, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS HB2 23 LEU H 4.13 (#peak 206 #SUP 0.83 #QF 0.83)
&rst
ixpk= 206, nxpk= 0, iat= 348, 366, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 5 LYS HB3 6 ILE H 4.73 (#peak 207 #SUP 0.89 #QF 0.89)
&rst
ixpk= 207, nxpk= 0, iat= 73, 90, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 5 LYS QD 6 ILE H 4.89 (#peak 208 #SUP 0.86 #QF 0.30)
&rst
ixpk= 208, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 78, 79,
&end
#
# 6 ILE H 7 LEU QB 5.16 (#peak 208 #SUP 0.86 #QF 0.30)
&rst
ixpk= 208, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 113, 114,
&end
#
# 6 ILE H 6 ILE HG12 4.00 (#peak 209 #SUP 0.93 #QF 0.93)
&rst
ixpk= 209, nxpk= 0, iat= 90, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 PRO HG3 21 LEU H 4.80 (#peak 210 #SUP 0.74 #QF 0.74)
&rst
ixpk= 210, nxpk= 0, iat= 316, 325, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 5 LYS QG 6 ILE H 5.31 (#peak 211 #SUP 0.96 #QF 0.96)
&rst
ixpk= 211, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 75, 76,
&end
#
# 6 ILE H 6 ILE HG13 4.00 (#peak 213 #SUP 0.99 #QF 0.99)
&rst
ixpk= 213, nxpk= 0, iat= 90, 101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 LYS QG 23 LEU H 5.17 (#peak 214 #SUP 0.82 #QF 0.82)
&rst
ixpk= 214, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 351, 352,
&end
#
# 22 LYS QD 23 LEU H 5.23 (#peak 215 #SUP 0.89 #QF 0.89)
&rst
ixpk= 215, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 354, 355,
&end
#
# 24 VAL H 24 VAL QG2 2.84 (#peak 216 #SUP 0.94 #QF 0.94)
&rst
ixpk= 216, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 395, 396, 397,
&end
#
# 24 VAL H 24 VAL QG1 3.93 (#peak 217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 217, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 391, 392, 393,
&end
#
# 6 ILE H 6 ILE QD1 4.37 (#peak 219 #SUP 0.96 #QF 0.96)
&rst
ixpk= 219, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 103, 104, 105,
&end
#
# 6 ILE H 6 ILE QG2 3.87 (#peak 220 #SUP 0.99 #QF 0.99)
&rst
ixpk= 220, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 96, 97, 98,
&end
#
# 4 ARG HE 24 VAL QG1 4.90 (#peak 221 #SUP 0.97 #QF 0.97)
&rst
ixpk= 221, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 391, 392, 393,
&end
#
# 10 ILE QG2 16 LYS H 5.50 (#peak 222 #SUP 0.48 #QF 0.48)
&rst
ixpk= 222, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 2 LEU H 3 PRO HD2 5.36 (#peak 225 #SUP 0.89 #QF 0.89)
&rst
ixpk= 225, nxpk= 0, iat= 11, 31, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 3 PRO HD2 4 ARG H 5.50 (#peak 226 #SUP 0.82 #QF 0.82)
&rst
ixpk= 226, nxpk= 0, iat= 31, 44, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 CYSS H 27 CYSS HB2 5.50 (#peak 227 #SUP 0.76 #QF 0.76)
&rst
ixpk= 227, nxpk= 0, iat= 272, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 CYSS H 27 CYSS HB3 5.50 (#peak 228 #SUP 0.97 #QF 0.97)
&rst
ixpk= 228, nxpk= 0, iat= 272, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 LYS H 5 LYS QE 5.50 (#peak 229 #SUP 0.67 #QF 0.53)
&rst
ixpk= 229, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 81, 82,
&end
#
# 16 LYS QE 17 CYSS H 5.50 (#peak 229 #SUP 0.67 #QF 0.53)
&rst
ixpk= 229, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 263, 264,
&end
#
# 8 CYSS H 8 CYSS HB3 3.59 (#peak 230 #SUP 0.89 #QF 0.89)
&rst
ixpk= 230, nxpk= 0, iat= 128, 133, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 4 ARG H 4 ARG QD 4.70 (#peak 231 #SUP 0.99 #QF 0.99)
&rst
ixpk= 231, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 54, 55,
&end
#
# 16 LYS H 17 CYSS HB3 5.50 (#peak 232 #SUP 0.92 #QF 0.92)
&rst
ixpk= 232, nxpk= 0, iat= 250, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LYS H 17 CYSS HB2 5.19 (#peak 233 #SUP 0.82 #QF 0.82)
&rst
ixpk= 233, nxpk= 0, iat= 250, 276, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 12 LYS H 17 CYSS HB2 5.04 (#peak 234 #SUP 0.97 #QF 0.97)
&rst
ixpk= 234, nxpk= 0, iat= 177, 276, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 17 CYSS HB2 18 LYS H 4.43 (#peak 235 #SUP 0.98 #QF 0.98)
&rst
ixpk= 235, nxpk= 0, iat= 276, 282, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 7 LEU H 8 CYSS HB2 5.31 (#peak 236 #SUP 0.97 #QF 0.97)
&rst
ixpk= 236, nxpk= 0, iat= 109, 132, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 3 PRO HD2 7 LEU H 5.25 (#peak 237 #SUP 0.93 #QF 0.93)
&rst
ixpk= 237, nxpk= 0, iat= 31, 109, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 12 LYS H 17 CYSS HB3 5.50 (#peak 238 #SUP 0.85 #QF 0.85)
&rst
ixpk= 238, nxpk= 0, iat= 177, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 CYSS HB3 26 LYS H 4.15 (#peak 239 #SUP 0.99 #QF 0.99)
&rst
ixpk= 239, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 25 CYSS H 25 CYSS HB2 3.80 (#peak 240 #SUP 0.80 #QF 0.80)
&rst
ixpk= 240, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 CYSS HB2 26 LYS H 4.13 (#peak 241 #SUP 0.94 #QF 0.94)
&rst
ixpk= 241, nxpk= 0, iat= 405, 411, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 12 LYS QE 13 LYS H 5.50 (#peak 242 #SUP 0.76 #QF 0.43)
&rst
ixpk= 242, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 190, 191,
&end
#
# 13 LYS H 13 LYS QE 5.50 (#peak 242 #SUP 0.76 #QF 0.43)
&rst
ixpk= 242, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 212, 213,
&end
#
# 8 CYSS HB3 9 ALA H 4.14 (#peak 243 #SUP 0.87 #QF 0.87)
&rst
ixpk= 243, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 8 CYSS HB2 9 ALA H 4.11 (#peak 244 #SUP 0.99 #QF 0.99)
&rst
ixpk= 244, nxpk= 0, iat= 132, 138, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 25 CYSS HB3 27 CYSS H 5.36 (#peak 245 #SUP 0.94 #QF 0.94)
&rst
ixpk= 245, nxpk= 0, iat= 406, 433, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 17 CYSS HB3 18 LYS H 4.35 (#peak 246 #SUP 0.94 #QF 0.94)
&rst
ixpk= 246, nxpk= 0, iat= 277, 282, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 24 VAL H 25 CYSS HB3 5.15 (#peak 249 #SUP 0.99 #QF 0.99)
&rst
ixpk= 249, nxpk= 0, iat= 385, 406, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 24 VAL H 25 CYSS HB2 5.50 (#peak 250 #SUP 0.80 #QF 0.80)
&rst
ixpk= 250, nxpk= 0, iat= 385, 405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS QE 27 CYSS H 5.21 (#peak 251 #SUP 0.92 #QF 0.92)
&rst
ixpk= 251, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 424, 425,
&end
#
# 3 PRO HD2 6 ILE H 5.12 (#peak 252 #SUP 0.96 #QF 0.96)
&rst
ixpk= 252, nxpk= 0, iat= 31, 90, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 17 CYSS HB3 22 LYS H 5.50 (#peak 253 #SUP 0.49 #QF 0.49)
&rst
ixpk= 253, nxpk= 0, iat= 277, 344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 LYS HA 19 GLY H 2.99 (#peak 255 #SUP 0.87 #QF 0.87)
&rst
ixpk= 255, nxpk= 0, iat= 284, 304, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 16 LYS HA 17 CYSS H 3.35 (#peak 256 #SUP 0.88 #QF 0.88)
&rst
ixpk= 256, nxpk= 0, iat= 252, 272, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 8 CYSS H 9 ALA HA 5.50 (#peak 257 #SUP 0.47 #QF 0.47)
&rst
ixpk= 257, nxpk= 0, iat= 128, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLY HA2 17 CYSS H 5.32 (#peak 258 #SUP 0.36 #QF 0.36)
&rst
ixpk= 258, nxpk= 0, iat= 245, 272, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 2 LEU H 3 PRO HD3 5.09 (#peak 260 #SUP 0.96 #QF 0.96)
&rst
ixpk= 260, nxpk= 0, iat= 11, 32, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 11 ALA HA 16 LYS H 4.21 (#peak 262 #SUP 0.97 #QF 0.22)
&rst
ixpk= 262, nxpk= 0, iat= 169, 250, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 13 LYS HA 15 GLY H 5.12 (#peak 265 #SUP 0.87 #QF 0.87)
&rst
ixpk= 265, nxpk= 0, iat= 201, 243, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 14 LYS HA 16 LYS H 4.81 (#peak 266 #SUP 0.73 #QF 0.73)
&rst
ixpk= 266, nxpk= 0, iat= 223, 250, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 21 LEU HA 25 CYSS H 4.29 (#peak 267 #SUP 0.98 #QF 0.98)
&rst
ixpk= 267, nxpk= 0, iat= 327, 401, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 23 LEU HA 25 CYSS H 4.70 (#peak 269 #SUP 0.95 #QF 0.95)
&rst
ixpk= 269, nxpk= 0, iat= 368, 401, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 8 CYSS HA 10 ILE H 5.02 (#peak 270 #SUP 0.85 #QF 0.85)
&rst
ixpk= 270, nxpk= 0, iat= 130, 148, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 10 ILE H 11 ALA HA 5.50 (#peak 272 #SUP 0.98 #QF 0.98)
&rst
ixpk= 272, nxpk= 0, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 CYSS HA 12 LYS H 5.03 (#peak 275 #SUP 0.96 #QF 0.96)
&rst
ixpk= 275, nxpk= 0, iat= 130, 177, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 CYSS HA 11 ALA H 3.87 (#peak 276 #SUP 0.90 #QF 0.90)
&rst
ixpk= 276, nxpk= 0, iat= 130, 167, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 3 PRO HA 7 LEU H 5.50 (#peak 277 #SUP 0.92 #QF 0.92)
&rst
ixpk= 277, nxpk= 0, iat= 40, 109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS H 27 CYSS HA 5.50 (#peak 278 #SUP 0.98 #QF 0.98)
&rst
ixpk= 278, nxpk= 0, iat= 411, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HA 26 LYS H 5.50 (#peak 279 #SUP 0.93 #QF 0.93)
&rst
ixpk= 279, nxpk= 0, iat= 368, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ALA HA 14 LYS H 4.86 (#peak 281 #SUP 0.94 #QF 0.93)
&rst
ixpk= 281, nxpk= 0, iat= 169, 221, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 14 LYS H 15 GLY HA2 4.90 (#peak 282 #SUP 0.62 #QF 0.62)
&rst
ixpk= 282, nxpk= 0, iat= 221, 245, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 7 LEU HA 11 ALA H 4.53 (#peak 283 #SUP 0.85 #QF 0.85)
&rst
ixpk= 283, nxpk= 0, iat= 111, 167, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 10 ILE HA 14 LYS H 5.30 (#peak 285 #SUP 0.97 #QF 0.97)
&rst
ixpk= 285, nxpk= 0, iat= 150, 221, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 22 LYS HA 26 LYS H 5.01 (#peak 287 #SUP 0.99 #QF 0.81)
&rst
ixpk= 287, nxpk= 0, iat= 346, 411, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 11 ALA HA 13 LYS H 4.82 (#peak 289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 289, nxpk= 0, iat= 169, 199, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 10 ILE HA 13 LYS H 3.83 (#peak 290 #SUP 0.93 #QF 0.93)
&rst
ixpk= 290, nxpk= 0, iat= 150, 199, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 LYS H 14 LYS HA 5.50 (#peak 291 #SUP 0.80 #QF 0.80)
&rst
ixpk= 291, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLY H 16 LYS HA 5.50 (#peak 292 #SUP 0.92 #QF 0.92)
&rst
ixpk= 292, nxpk= 0, iat= 243, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LYS HA 15 GLY H 3.57 (#peak 293 #SUP 0.98 #QF 0.98)
&rst
ixpk= 293, nxpk= 0, iat= 223, 243, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 6 ILE HA 9 ALA H 3.84 (#peak 294 #SUP 0.77 #QF 0.77)
&rst
ixpk= 294, nxpk= 0, iat= 92, 138, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 4 ARG HA 7 LEU H 3.59 (#peak 295 #SUP 0.81 #QF 0.35)
&rst
ixpk= 295, nxpk= 0, iat= 46, 109, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 7 LEU HA 9 ALA H 4.55 (#peak 296 #SUP 0.95 #QF 0.95)
&rst
ixpk= 296, nxpk= 0, iat= 111, 138, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 9 ALA H 10 ILE HA 5.32 (#peak 297 #SUP 0.94 #QF 0.94)
&rst
ixpk= 297, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 17 CYSS HA 18 LYS H 2.80 (#peak 299 #SUP 0.86 #QF 0.86)
&rst
ixpk= 299, nxpk= 0, iat= 274, 282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 LYS HA 27 CYSS H 2.97 (#peak 300 #SUP 0.86 #QF 0.86)
&rst
ixpk= 300, nxpk= 0, iat= 413, 433, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 22 LYS HA 27 CYSS H 3.54 (#peak 301 #SUP 0.88 #QF 0.88)
&rst
ixpk= 301, nxpk= 0, iat= 346, 433, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 20 PRO HD2 21 LEU H 4.15 (#peak 302 #SUP 0.94 #QF 0.94)
&rst
ixpk= 302, nxpk= 0, iat= 312, 325, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 PRO HD3 21 LEU H 4.15 (#peak 303 #SUP 0.94 #QF 0.94)
&rst
ixpk= 303, nxpk= 0, iat= 313, 325, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 GLY HA3 22 LYS H 5.27 (#peak 304 #SUP 0.57 #QF 0.57)
&rst
ixpk= 304, nxpk= 0, iat= 307, 344, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 19 GLY HA2 22 LYS H 5.27 (#peak 307 #SUP 0.90 #QF 0.90)
&rst
ixpk= 307, nxpk= 0, iat= 306, 344, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 20 PRO HA 22 LYS H 4.66 (#peak 309 #SUP 0.90 #QF 0.90)
&rst
ixpk= 309, nxpk= 0, iat= 321, 344, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 18 LYS HA 22 LYS H 4.66 (#peak 310 #SUP 0.97 #QF 0.97)
&rst
ixpk= 310, nxpk= 0, iat= 284, 344, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 3 PRO HA 6 ILE H 5.40 (#peak 311 #SUP 0.98 #QF 0.98)
&rst
ixpk= 311, nxpk= 0, iat= 40, 90, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 21 LEU HA 24 VAL H 3.57 (#peak 313 #SUP 0.93 #QF 0.93)
&rst
ixpk= 313, nxpk= 0, iat= 327, 385, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 20 PRO HA 23 LEU H 4.13 (#peak 315 #SUP 0.90 #QF 0.90)
&rst
ixpk= 315, nxpk= 0, iat= 321, 366, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 18 LYS HA 23 LEU H 5.50 (#peak 316 #SUP 0.77 #QF 0.77)
&rst
ixpk= 316, nxpk= 0, iat= 284, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ILE H 9 ALA H 5.47 (#peak 317 #SUP 0.94 #QF 0.94)
&rst
ixpk= 317, nxpk= 0, iat= 90, 138, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 23 LEU H 27 CYSS H 5.50 (#peak 318 #SUP 0.93 #QF 0.93)
&rst
ixpk= 318, nxpk= 0, iat= 366, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU H 23 LEU H 5.48 (#peak 319 #SUP 1.00 #QF 0.89)
&rst
ixpk= 319, nxpk= 0, iat= 325, 366, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 21 LEU H 24 VAL H 5.50 (#peak 319 #SUP 1.00 #QF 0.89)
&rst
ixpk= 319, nxpk= 0, iat= 325, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 LEU HA 3 PRO HD3 3.09 (#peak 320 #SUP 0.98 #QF 0.98)
&rst
ixpk= 320, nxpk= 0, iat= 13, 32, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 1 GLY QA 2 LEU HA 4.84 (#peak 321 #SUP 0.98 #QF 0.98)
&rst
ixpk= 321, nxpk= 0, iat= -1, 13, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 6, 7,
&end
#
# 2 LEU HA 3 PRO HD2 3.35 (#peak 322 #SUP 0.99 #QF 0.99)
&rst
ixpk= 322, nxpk= 0, iat= 13, 31, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 2 LEU HA 3 PRO QG 4.51 (#peak 323 #SUP 1.00)
&rst
ixpk= 323, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 34, 35,
&end
#
# 2 LEU HA 6 ILE HB 5.35 (#peak 324 #SUP 0.47 #QF 0.47)
&rst
ixpk= 324, nxpk= 0, iat= 13, 94, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 7 LEU HA 8 CYSS HA 5.50 (#peak 329 #SUP 0.64 #QF 0.32)
&rst
ixpk= 329, nxpk= 0, iat= 111, 130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 LYS HA 22 LYS HA 5.50 (#peak 329 #SUP 0.64 #QF 0.32)
&rst
ixpk= 329, nxpk= 0, iat= 284, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 PRO HA 4 ARG HA 5.29 (#peak 330 #SUP 0.90 #QF 0.52)
&rst
ixpk= 330, nxpk= 0, iat= 40, 46, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 15 GLY HA3 16 LYS HA 5.46 (#peak 333 #SUP 0.69 #QF 0.69)
&rst
ixpk= 333, nxpk= 0, iat= 246, 252, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 12 LYS HA 17 CYSS HB3 5.14 (#peak 338 #SUP 0.93 #QF 0.61)
&rst
ixpk= 338, nxpk= 0, iat= 179, 277, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 17 CYSS HB3 22 LYS HA 5.44 (#peak 338 #SUP 0.93 #QF 0.61)
&rst
ixpk= 338, nxpk= 0, iat= 277, 346, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 22 LYS HA 27 CYSS HB2 3.98 (#peak 340 #SUP 0.81 #QF 0.81)
&rst
ixpk= 340, nxpk= 0, iat= 346, 437, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 22 LYS HA 27 CYSS HB3 3.98 (#peak 341 #SUP 0.89 #QF 0.89)
&rst
ixpk= 341, nxpk= 0, iat= 346, 438, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 CYSS HB3 27 CYSS HB2 4.46 (#peak 344 #SUP 0.88 #QF 0.88)
&rst
ixpk= 344, nxpk= 0, iat= 277, 437, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 CYSS HB3 27 CYSS HB3 4.46 (#peak 345 #SUP 0.93 #QF 0.93)
&rst
ixpk= 345, nxpk= 0, iat= 277, 438, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 4 ARG HA 4 ARG QD 4.10 (#peak 347 #SUP 0.98 #QF 0.98)
&rst
ixpk= 347, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 54, 55,
&end
#
# 5 LYS HA 8 CYSS HB3 4.27 (#peak 349 #SUP 0.63 #QF 0.63)
&rst
ixpk= 349, nxpk= 0, iat= 70, 133, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 8 CYSS HB3 9 ALA HA 5.07 (#peak 350 #SUP 0.52 #QF 0.52)
&rst
ixpk= 350, nxpk= 0, iat= 133, 140, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 9 ALA HA 12 LYS QE 5.50 (#peak 351 #SUP 0.41 #QF 0.41)
&rst
ixpk= 351, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 190, 191,
&end
#
# 8 CYSS HA 12 LYS QE 4.46 (#peak 354 #SUP 0.47 #QF 0.47)
&rst
ixpk= 354, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 190, 191,
&end
#
# 12 LYS HA 17 CYSS HB2 4.97 (#peak 360 #SUP 0.88 #QF 0.88)
&rst
ixpk= 360, nxpk= 0, iat= 179, 276, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 17 CYSS HB2 27 CYSS HB2 5.50 (#peak 363 #SUP 0.96 #QF 0.96)
&rst
ixpk= 363, nxpk= 0, iat= 276, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 CYSS HB2 27 CYSS HB3 5.50 (#peak 364 #SUP 0.99 #QF 0.99)
&rst
ixpk= 364, nxpk= 0, iat= 276, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 LYS HA 8 CYSS HB2 4.29 (#peak 365 #SUP 0.74 #QF 0.74)
&rst
ixpk= 365, nxpk= 0, iat= 70, 132, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 21 LEU HA 24 VAL HB 3.70 (#peak 370 #SUP 0.97 #QF 0.97)
&rst
ixpk= 370, nxpk= 0, iat= 327, 389, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 3 PRO HD2 6 ILE HB 3.86 (#peak 376 #SUP 0.57 #QF 0.57)
&rst
ixpk= 376, nxpk= 0, iat= 31, 94, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 10 ILE HA 13 LYS QB 3.72 (#peak 377 #SUP 0.88 #QF 0.88)
&rst
ixpk= 377, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 203, 204,
&end
#
# 10 ILE HA 10 ILE HG12 4.01 (#peak 380 #SUP 1.00)
&rst
ixpk= 380, nxpk= 0, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 ILE HA 13 LYS QD 4.55 (#peak 381 #SUP 0.43 #QF 0.43)
&rst
ixpk= 381, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 209, 210,
&end
#
# 9 ALA QB 10 ILE HA 4.35 (#peak 382 #SUP 0.94 #QF 0.92)
&rst
ixpk= 382, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 142, 143, 144,
&end
#
# 10 ILE HA 10 ILE HG13 4.01 (#peak 383 #SUP 0.99 #QF 0.99)
&rst
ixpk= 383, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 ILE HA 10 ILE QG2 3.11 (#peak 384 #SUP 0.98 #QF 0.98)
&rst
ixpk= 384, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 154, 155, 156,
&end
#
# 10 ILE HA 10 ILE QD1 4.01 (#peak 385 #SUP 0.98 #QF 0.98)
&rst
ixpk= 385, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 161, 162, 163,
&end
#
# 22 LYS HA 22 LYS QG 4.22 (#peak 386 #SUP 0.98 #QF 0.98)
&rst
ixpk= 386, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 351, 352,
&end
#
# 6 ILE HA 6 ILE HG13 4.11 (#peak 387 #SUP 0.93 #QF 0.93)
&rst
ixpk= 387, nxpk= 0, iat= 92, 101, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 11 ALA HA 16 LYS HB2 5.50 (#peak 388 #SUP 0.97 #QF 0.95)
&rst
ixpk= 388, nxpk= 0, iat= 169, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLY HA2 16 LYS HB2 5.50 (#peak 388 #SUP 0.97 #QF 0.95)
&rst
ixpk= 388, nxpk= 0, iat= 245, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ALA HA 16 LYS HB3 4.29 (#peak 391 #SUP 0.58 #QF 0.58)
&rst
ixpk= 391, nxpk= 0, iat= 169, 255, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 6 ILE HA 6 ILE HG12 4.11 (#peak 395 #SUP 0.93 #QF 0.74)
&rst
ixpk= 395, nxpk= 0, iat= 92, 100, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 6 ILE HA 9 ALA QB 4.13 (#peak 395 #SUP 0.93 #QF 0.74)
&rst
ixpk= 395, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 142, 143, 144,
&end
#
# 4 ARG HA 4 ARG QG 3.43 (#peak 399 #SUP 0.83 #QF 0.78)
&rst
ixpk= 399, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 51, 52,
&end
#
# 4 ARG HA 7 LEU QB 3.53 (#peak 399 #SUP 0.83 #QF 0.78)
&rst
ixpk= 399, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 113, 114,
&end
#
# 4 ARG HA 7 LEU HG 5.02 (#peak 400 #SUP 0.71 #QF 0.33)
&rst
ixpk= 400, nxpk= 0, iat= 46, 116, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 5 LYS HA 5 LYS QG 4.19 (#peak 401 #SUP 0.83 #QF 0.54)
&rst
ixpk= 401, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 75, 76,
&end
#
# 11 ALA QB 12 LYS HA 4.11 (#peak 402 #SUP 0.69 #QF 0.69)
&rst
ixpk= 402, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 171, 172, 173,
&end
#
# 21 LEU HA 21 LEU HG 4.06 (#peak 409 #SUP 0.97 #QF 0.97)
&rst
ixpk= 409, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 LYS HA 13 LYS QD 4.44 (#peak 410 #SUP 0.99 #QF 0.99)
&rst
ixpk= 410, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 209, 210,
&end
#
# 26 LYS HA 26 LYS QG 3.88 (#peak 412 #SUP 0.96 #QF 0.96)
&rst
ixpk= 412, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 418, 419,
&end
#
# 14 LYS HA 14 LYS QG 4.00 (#peak 413 #SUP 0.99 #QF 0.99)
&rst
ixpk= 413, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 228, 229,
&end
#
# 11 ALA QB 17 CYSS HA 3.63 (#peak 414 #SUP 0.90 #QF 0.90)
&rst
ixpk= 414, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 171, 172, 173,
&end
#
# 18 LYS HA 22 LYS QG 5.32 (#peak 418 #SUP 0.95 #QF 0.95)
&rst
ixpk= 418, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 351, 352,
&end
#
# 8 CYSS HA 11 ALA QB 3.37 (#peak 419 #SUP 0.83 #QF 0.83)
&rst
ixpk= 419, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 171, 172, 173,
&end
#
# 18 LYS HA 22 LYS QD 4.75 (#peak 420 #SUP 0.94 #QF 0.94)
&rst
ixpk= 420, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 354, 355,
&end
#
# 18 LYS HA 22 LYS HB3 4.25 (#peak 422 #SUP 0.95 #QF 0.64)
&rst
ixpk= 422, nxpk= 0, iat= 284, 349, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 20 PRO HA 23 LEU HB2 4.65 (#peak 430 #SUP 0.91 #QF 0.91)
&rst
ixpk= 430, nxpk= 0, iat= 321, 370, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 17 CYSS HA 21 LEU HB3 4.43 (#peak 431 #SUP 0.73 #QF 0.73)
&rst
ixpk= 431, nxpk= 0, iat= 274, 330, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 14 LYS HA 14 LYS HD2 4.27 (#peak 433 #SUP 0.58 #QF 0.58)
&rst
ixpk= 433, nxpk= 0, iat= 223, 231, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 14 LYS HA 14 LYS HD3 4.27 (#peak 434 #SUP 0.63 #QF 0.63)
&rst
ixpk= 434, nxpk= 0, iat= 223, 232, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 23 LEU HA 23 LEU HG 3.87 (#peak 435 #SUP 0.98 #QF 0.94)
&rst
ixpk= 435, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 16 LYS HB3 17 CYSS HA 5.35 (#peak 436 #SUP 0.87 #QF 0.57)
&rst
ixpk= 436, nxpk= 0, iat= 255, 274, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 17 CYSS HA 21 LEU HB2 5.50 (#peak 436 #SUP 0.87 #QF 0.57)
&rst
ixpk= 436, nxpk= 0, iat= 274, 329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 PRO HA 23 LEU HB3 4.44 (#peak 437 #SUP 0.90 #QF 0.90)
&rst
ixpk= 437, nxpk= 0, iat= 321, 371, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 2 LEU HB3 3 PRO HD2 4.43 (#peak 438 #SUP 0.99 #QF 0.99)
&rst
ixpk= 438, nxpk= 0, iat= 16, 31, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 2 LEU HB2 3 PRO HD2 4.43 (#peak 439 #SUP 0.88 #QF 0.64)
&rst
ixpk= 439, nxpk= 0, iat= 15, 31, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 4 ARG QD 24 VAL HB 4.88 (#peak 440 #SUP 0.99 #QF 0.99)
&rst
ixpk= 440, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 54, 55,
&end
#
# 11 ALA QB 17 CYSS HB2 4.03 (#peak 444 #SUP 0.92 #QF 0.92)
&rst
ixpk= 444, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 171, 172, 173,
&end
#
# 12 LYS QG 17 CYSS HB2 5.50 (#peak 445 #SUP 0.78 #QF 0.78)
&rst
ixpk= 445, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 185,
&end
#
# 17 CYSS HB2 22 LYS HB2 5.45 (#peak 446 #SUP 0.27 #QF 0.27)
&rst
ixpk= 446, nxpk= 0, iat= 276, 348, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 10 ILE QG2 10 ILE HG13 3.67 (#peak 451 #SUP 0.98 #QF 0.98)
&rst
ixpk= 451, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 154, 155, 156,
&end
#
# 6 ILE QG2 6 ILE HG13 3.75 (#peak 453 #SUP 0.98 #QF 0.98)
&rst
ixpk= 453, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 96, 97, 98,
&end
#
# 6 ILE QG2 6 ILE QD1 3.31 (#peak 454 #SUP 0.76 #QF 0.58)
&rst
ixpk= 454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 96, 97, 98,
igr2= 103, 104, 105,
&end
#
# 6 ILE QG2 10 ILE QD1 3.81 (#peak 454 #SUP 0.76 #QF 0.58)
&rst
ixpk= 454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 96, 97, 98,
igr2= 161, 162, 163,
&end
#
# 5 LYS QG 6 ILE QD1 4.31 (#peak 456 #SUP 0.65 #QF 0.65)
&rst
ixpk= 456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 75, 76,
igr2= 103, 104, 105,
&end
#
# 11 ALA QB 21 LEU QD1 3.60 (#peak 457 #SUP 0.89 #QF 0.89)
&rst
ixpk= 457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 171, 172, 173,
igr2= 334, 335, 336,
&end
#
# 11 ALA QB 21 LEU QD2 3.60 (#peak 459 #SUP 0.96 #QF 0.96)
&rst
ixpk= 459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 171, 172, 173,
igr2= 338, 339, 340,
&end
#
# 10 ILE QG2 14 LYS QG 4.51 (#peak 460 #SUP 0.87 #QF 0.87)
&rst
ixpk= 460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 154, 155, 156,
igr2= 228, 229,
&end
#
# 4 ARG QG 24 VAL QG2 4.57 (#peak 461 #SUP 0.81 #QF 0.41)
&rst
ixpk= 461, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 51, 52,
igr2= 395, 396, 397,
&end
#
# 23 LEU HB3 24 VAL QG2 4.81 (#peak 461 #SUP 0.81 #QF 0.41)
&rst
ixpk= 461, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 395, 396, 397,
&end
#
# 23 LEU HB2 24 VAL QG2 5.50 (#peak 462 #SUP 0.94 #QF 0.69)
&rst
ixpk= 462, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 395, 396, 397,
&end
#
# 3 PRO QG 6 ILE QD1 4.16 (#peak 465 #SUP 0.90 #QF 0.90)
&rst
ixpk= 465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 34, 35,
igr2= 103, 104, 105,
&end
#
# 22 LYS HB2 22 LYS QD 3.15 (#peak 476 #SUP 0.84 #QF 0.70)
&rst
ixpk= 476, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 354, 355,
&end
#
# 10 ILE HB 10 ILE QD1 3.39 (#peak 494 #SUP 0.94 #QF 0.94)
&rst
ixpk= 494, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 161, 162, 163,
&end
#
# 21 LEU HB3 21 LEU QD1 4.19 (#peak 495 #SUP 0.72 #QF 0.59)
&rst
ixpk= 495, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 334, 335, 336,
&end
#
# 6 ILE QG2 6 ILE HG12 3.75 (#peak 497 #SUP 0.93 #QF 0.79)
&rst
ixpk= 497, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 96, 97, 98,
&end
#
# 6 ILE QG2 9 ALA QB 3.99 (#peak 497 #SUP 0.93 #QF 0.79)
&rst
ixpk= 497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 96, 97, 98,
igr2= 142, 143, 144,
&end
#
# 7 LEU QB 7 LEU QD2 3.48 (#peak 499 #SUP 0.99 #QF 0.94)
&rst
ixpk= 499, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 113, 114,
igr2= 122, 123, 124,
&end
#
# 10 ILE QG2 10 ILE HG12 3.67 (#peak 502 #SUP 0.93 #QF 0.89)
&rst
ixpk= 502, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 154, 155, 156,
&end
#
# 3 PRO HD2 6 ILE QG2 4.78 (#peak 503 #SUP 0.94 #QF 0.94)
&rst
ixpk= 503, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 96, 97, 98,
&end
#
# 3 PRO HD2 6 ILE QD1 4.14 (#peak 505 #SUP 0.94 #QF 0.94)
&rst
ixpk= 505, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 103, 104, 105,
&end
#
# 4 ARG QD 24 VAL QG1 3.77 (#peak 506 #SUP 0.90 #QF 0.90)
&rst
ixpk= 506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 54, 55,
igr2= 391, 392, 393,
&end
#
# 4 ARG QD 24 VAL QG2 4.45 (#peak 507 #SUP 0.95 #QF 0.95)
&rst
ixpk= 507, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 54, 55,
igr2= 395, 396, 397,
&end
#
# 24 VAL QG1 25 CYSS HB2 4.15 (#peak 508 #SUP 0.28 #QF 0.28)
&rst
ixpk= 508, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 391, 392, 393,
&end
#
# 10 ILE QG2 14 LYS QE 3.94 (#peak 509 #SUP 0.56 #QF 0.56)
&rst
ixpk= 509, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 154, 155, 156,
igr2= 234, 235,
&end
#
# 11 ALA QB 17 CYSS HB3 4.45 (#peak 510 #SUP 0.98 #QF 0.98)
&rst
ixpk= 510, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 171, 172, 173,
&end
#
# 10 ILE QG2 11 ALA HA 4.07 (#peak 512 #SUP 0.94 #QF 0.94)
&rst
ixpk= 512, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 154, 155, 156,
&end
#
# 24 VAL HA 24 VAL QG2 3.17 (#peak 514 #SUP 0.99 #QF 0.99)
&rst
ixpk= 514, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 395, 396, 397,
&end
#
# 24 VAL HA 24 VAL QG1 3.05 (#peak 515 #SUP 0.96 #QF 0.96)
&rst
ixpk= 515, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 391, 392, 393,
&end
#
# 6 ILE HA 6 ILE QG2 3.15 (#peak 516 #SUP 0.99 #QF 0.99)
&rst
ixpk= 516, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 96, 97, 98,
&end
#
# 7 LEU HA 7 LEU QD1 3.94 (#peak 517 #SUP 0.96 #QF 0.96)
&rst
ixpk= 517, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 118, 119, 120,
&end
#
# 7 LEU HA 7 LEU QD2 3.94 (#peak 518 #SUP 0.70 #QF 0.70)
&rst
ixpk= 518, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 122, 123, 124,
&end
#
# 3 PRO HD3 6 ILE QD1 4.38 (#peak 519 #SUP 1.00 #QF 0.48)
&rst
ixpk= 519, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 103, 104, 105,
&end
#
# 6 ILE HA 6 ILE QD1 4.58 (#peak 519 #SUP 1.00 #QF 0.48)
&rst
ixpk= 519, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 103, 104, 105,
&end
#
# 7 LEU HA 10 ILE QD1 4.40 (#peak 520 #SUP 0.66 #QF 0.66)
&rst
ixpk= 520, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 161, 162, 163,
&end
#
# 21 LEU HA 24 VAL QG1 3.98 (#peak 522 #SUP 0.86 #QF 0.86)
&rst
ixpk= 522, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 391, 392, 393,
&end
#
# 21 LEU HA 24 VAL QG2 3.24 (#peak 523 #SUP 0.92 #QF 0.92)
&rst
ixpk= 523, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 395, 396, 397,
&end
#
# 21 LEU HA 21 LEU QD1 4.06 (#peak 524 #SUP 0.96 #QF 0.96)
&rst
ixpk= 524, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 334, 335, 336,
&end
#
# 21 LEU HA 21 LEU QD2 4.06 (#peak 525 #SUP 0.92 #QF 0.92)
&rst
ixpk= 525, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 338, 339, 340,
&end
#
# 23 LEU HA 23 LEU QD1 4.36 (#peak 526 #SUP 0.75 #QF 0.75)
&rst
ixpk= 526, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 375, 376, 377,
&end
#
# 23 LEU HA 23 LEU QD2 4.36 (#peak 527 #SUP 0.76 #QF 0.76)
&rst
ixpk= 527, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 379, 380, 381,
&end
#
# 17 CYSS HA 21 LEU QD2 5.12 (#peak 528 #SUP 0.93 #QF 0.93)
&rst
ixpk= 528, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 338, 339, 340,
&end
#
# 17 CYSS HA 21 LEU QD1 5.12 (#peak 529 #SUP 0.97 #QF 0.97)
&rst
ixpk= 529, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 334, 335, 336,
&end
#
# 10 ILE QG2 11 ALA QB 4.57 (#peak 532 #SUP 0.75 #QF 0.75)
&rst
ixpk= 532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 154, 155, 156,
igr2= 171, 172, 173,
&end
#
# 9 ALA QB 10 ILE QD1 3.62 (#peak 534 #SUP 0.55 #QF 0.55)
&rst
ixpk= 534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 142, 143, 144,
igr2= 161, 162, 163,
&end
#
# 21 LEU HB3 21 LEU QD2 4.19 (#peak 535 #SUP 0.97 #QF 0.97)
&rst
ixpk= 535, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 338, 339, 340,
&end
#
# 4 ARG QG 24 VAL QG1 3.33 (#peak 537 #SUP 0.98 #QF 0.26)
&rst
ixpk= 537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 51, 52,
igr2= 391, 392, 393,
&end
#
# 7 LEU QB 7 LEU QD1 3.48 (#peak 537 #SUP 0.98 #QF 0.26)
&rst
ixpk= 537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 113, 114,
igr2= 118, 119, 120,
&end
#
# 11 ALA QB 21 LEU HG 4.25 (#peak 541 #SUP 0.59 #QF 0.59)
&rst
ixpk= 541, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 171, 172, 173,
&end
#
# 11 ALA QB 12 LYS QD 4.46 (#peak 542 #SUP 0.76 #QF 0.76)
&rst
ixpk= 542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 171, 172, 173,
igr2= 187, 188,
&end
#
# 12 LYS QG 12 LYS QD 2.93 (#peak 543 #SUP 0.94 #QF 0.94)
&rst
ixpk= 543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 184, 185,
igr2= 187, 188,
&end
#
# 7 LEU QB 7 LEU HG 2.74 (#peak 544 #SUP 0.96 #QF 0.96)
&rst
ixpk= 544, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr1= 113, 114,
&end
#
# 5 LYS QE 6 ILE QD1 4.50 (#peak 551 #SUP 0.41 #QF 0.41)
&rst
ixpk= 551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 81, 82,
igr2= 103, 104, 105,
&end
#
# 2 LEU H 2 LEU QB 3.34 (#peak 116)
&rst
ixpk= 116, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 15, 16,
&end
#
# 2 LEU H 2 LEU QQD 4.30 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat= 11, 17, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 2 LEU HA 2 LEU QQD 3.13 (#peak 328)
&rst
ixpk= 328, nxpk= 0, iat= 13, 17, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 2 LEU QB 3 PRO HD2 3.75 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 15, 16,
&end
#
# 2 LEU QB 3 PRO HD3 4.27 (#peak 394)
&rst
ixpk= 394, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 15, 16,
&end
#
# 2 LEU QB 6 ILE H 4.99 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 15, 16,
&end
#
# 2 LEU QB 7 LEU H 4.46 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 15, 16,
&end
#
# 2 LEU QQD 3 PRO HD2 3.82 (#peak 504)
&rst
ixpk= 504, nxpk= 0, iat= 17, 31, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 2 LEU QQD 3 PRO HD3 3.64 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= 17, 32, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 3 PRO QB 4 ARG H 3.78 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 37, 38,
&end
#
# 3 PRO QB 5 LYS H 4.66 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 37, 38,
&end
#
# 3 PRO QB 6 ILE H 5.10 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 37, 38,
&end
#
# 3 PRO HD2 6 ILE QG1 4.63 (#peak 439)
&rst
ixpk= 439, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 100, 101,
&end
#
# 4 ARG H 4 ARG QB 2.96 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 48, 49,
&end
#
# 4 ARG H 7 LEU QQD 5.44 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat= 44, 115, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 4 ARG QB 4 ARG HE 4.44 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 48, 49,
&end
#
# 4 ARG QB 5 LYS H 3.89 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 48, 49,
&end
#
# 4 ARG QB 24 VAL QG2 4.95 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 48, 49,
igr2= 395, 396, 397,
&end
#
# 5 LYS H 5 LYS QB 3.12 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 72, 73,
&end
#
# 5 LYS QB 6 ILE H 4.00 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 72, 73,
&end
#
# 6 ILE HA 6 ILE QG1 3.52 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 100, 101,
&end
#
# 6 ILE QG2 6 ILE QG1 3.23 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 96, 97, 98,
igr2= 100, 101,
&end
#
# 6 ILE QG2 10 ILE QG1 3.82 (#peak 540)
&rst
ixpk= 540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 96, 97, 98,
igr2= 158, 159,
&end
#
# 6 ILE QG1 7 LEU H 5.02 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 100, 101,
&end
#
# 7 LEU H 7 LEU QQD 3.86 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 7 LEU HA 7 LEU QQD 3.20 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= 111, 115, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 7 LEU HA 10 ILE QG1 4.34 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 158, 159,
&end
#
# 7 LEU QQD 8 CYSS H 4.76 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= 115, 128, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 8 CYSS H 21 LEU QQD 5.44 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= 128, 331, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 8 CYSS HA 21 LEU QQD 4.79 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= 130, 331, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, &end
#
# 9 ALA H 10 ILE QG1 4.65 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 158, 159,
&end
#
# 10 ILE H 10 ILE QG1 3.21 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 158, 159,
&end
#
# 10 ILE HA 10 ILE QG1 3.52 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 158, 159,
&end
#
# 10 ILE QG2 14 LYS QB 3.90 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 154, 155, 156,
igr2= 225, 226,
&end
#
# 10 ILE QG2 14 LYS QD 3.51 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 154, 155, 156,
igr2= 231, 232,
&end
#
# 10 ILE QG1 11 ALA H 4.89 (#peak 143)
&rst
ixpk= 143, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 158, 159,
&end
#
# 11 ALA H 21 LEU QQD 4.90 (#peak 145)
&rst
ixpk= 145, nxpk= 0, iat= 167, 331, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end
#
# 11 ALA HA 14 LYS QB 4.15 (#peak 390)
&rst
ixpk= 390, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 225, 226,
&end
#
# 11 ALA HA 16 LYS QG 5.34 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 257, 258,
&end
#
# 11 ALA HA 21 LEU QQD 5.44 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= 169, 331, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 11 ALA QB 21 LEU QQD 3.03 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 171, 172, 173,
&end
#
# 12 LYS H 12 LYS QB 3.07 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 181, 182,
&end
#
# 12 LYS QB 12 LYS QD 3.48 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 181, 182,
igr2= 187, 188,
&end
#
# 12 LYS QB 13 LYS H 3.73 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 181, 182,
&end
#
# 13 LYS H 13 LYS QG 4.74 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 206, 207,
&end
#
# 13 LYS QG 14 LYS H 5.14 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 206, 207,
&end
#
# 14 LYS H 14 LYS QB 3.18 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 225, 226,
&end
#
# 14 LYS HA 14 LYS QD 3.69 (#peak 433)
&rst
ixpk= 433, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 231, 232,
&end
#
# 14 LYS QB 14 LYS QD 3.17 (#peak 545)
&rst
ixpk= 545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 225, 226,
igr2= 231, 232,
&end
#
# 14 LYS QB 15 GLY H 4.19 (#peak 158)
&rst
ixpk= 158, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 225, 226,
&end
#
# 14 LYS QB 16 LYS H 4.18 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 225, 226,
&end
#
# 14 LYS QD 15 GLY H 4.76 (#peak 159)
&rst
ixpk= 159, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 231, 232,
&end
#
# 16 LYS H 16 LYS QG 4.33 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 257, 258,
&end
#
# 16 LYS QG 17 CYSS H 5.34 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 257, 258,
&end
#
# 17 CYSS H 21 LEU QQD 5.43 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= 272, 331, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, &end
#
# 17 CYSS HA 21 LEU QQD 3.90 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat= 274, 331, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 17 CYSS HB2 27 CYSS QB 4.82 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 437, 438,
&end
#
# 17 CYSS HB3 27 CYSS QB 3.92 (#peak 345)
&rst
ixpk= 345, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 437, 438,
&end
#
# 18 LYS H 21 LEU QQD 3.90 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= 282, 331, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 18 LYS HA 19 GLY QA 4.63 (#peak 335)
&rst
ixpk= 335, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 306, 307,
&end
#
# 18 LYS QB 19 GLY H 3.46 (#peak 95)
&rst
ixpk= 95, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 286, 287,
&end
#
# 19 GLY H 20 PRO QD 4.80 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 312, 313,
&end
#
# 19 GLY QA 20 PRO QD 3.13 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 306, 307,
igr2= 312, 313,
&end
#
# 19 GLY QA 21 LEU H 4.37 (#peak 306)
&rst
ixpk= 306, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 306, 307,
&end
#
# 19 GLY QA 22 LYS H 4.45 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 306, 307,
&end
#
# 20 PRO HA 23 LEU QQD 4.24 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat= 321, 372, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 20 PRO QB 21 LEU H 3.79 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 318, 319,
&end
#
# 20 PRO QG 21 LEU H 4.07 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 315, 316,
&end
#
# 20 PRO QD 21 LEU H 3.49 (#peak 302)
&rst
ixpk= 302, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 312, 313,
&end
#
# 20 PRO QD 21 LEU HB2 5.35 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 312, 313,
&end
#
# 21 LEU HA 21 LEU QQD 3.11 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 21 LEU QQD 22 LYS H 4.40 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat= 331, 344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 21 LEU QQD 24 VAL H 4.87 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 331, 385, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 21 LEU QQD 24 VAL HB 4.16 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= 331, 389, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 23 LEU H 23 LEU QQD 5.28 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 366, 372, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, &end
#
# 23 LEU HA 23 LEU QQD 3.10 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 LYS H 26 LYS QB 3.60 (#peak 84)
&rst
ixpk= 84, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 415, 416,
&end
#
Contact the webmaster for help, if required. Wednesday, May 1, 2024 11:11:26 PM GMT (wattos1)