NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
609947 |
2rvh   |
11599 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 3 ILE HA 3 ILE QD1 4.16 (#peak 238 #SUP 1.00 #QF 0.64)
&rst
ixpk= 238, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr2= 45, 46, 47,
&end
#
# 10 ASP- HA 11 PRO HD2 3.60 (#peak 1613 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1613, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 ASP- HA 11 PRO HD3 3.60 (#peak 1612 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1612, nxpk= 0, iat= 154, 166, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 11 PRO HA 12 PHE QD 4.42 (#peak 1603 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1603, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 186, 194,
&end
#
# 11 PRO HB2 12 PHE QD 4.84 (#peak 1604 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1604, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 186, 194,
&end
#
# 11 PRO HB3 12 PHE QD 4.84 (#peak 1007 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1007, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 186, 194,
&end
#
# 11 PRO HD2 11 PRO HG2 3.98 (#peak 1611 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1611, nxpk= 0, iat= 165, 168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 PRO HD2 11 PRO HG3 3.98 (#peak 1610 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1610, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 PRO HD3 11 PRO HG2 3.98 (#peak 1609 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1609, nxpk= 0, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 PRO HD3 11 PRO HG3 3.98 (#peak 1608 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1608, nxpk= 0, iat= 166, 169, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 PRO QB 12 PHE QD 4.16 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 171, 172,
igr2= 186, 194,
&end
#
# 11 PRO QD 11 PRO QB 3.93 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 165, 166,
igr2= 171, 172,
&end
#
# 11 PRO QD 11 PRO QG 2.92 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 165, 166,
igr2= 168, 169,
&end
#
# 11 PRO QD 12 PHE HN 4.12 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 165, 166,
&end
#
# 11 PRO QG 12 PHE HN 4.41 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 168, 169,
&end
#
# 12 PHE HN 12 PHE QB 3.57 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 182, 183,
&end
#
# 12 PHE HN 12 PHE QD 4.34 (#peak 782 #SUP 0.99 #QF 0.99)
&rst
ixpk= 782, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 186, 194,
&end
#
# 12 PHE HN 13 ALA HN 4.13 (#peak 781 #SUP 0.98 #QF 0.98)
&rst
ixpk= 781, nxpk= 0, iat= 178, 198, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 13 ALA HN 13 ALA QB 3.51 (#peak 779 #SUP 1.00)
&rst
ixpk= 779, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 202, 203, 204,
&end
#
# 13 ALA QB 14 ASP- HN 4.84 (#peak 774 #SUP 1.00)
&rst
ixpk= 774, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 202, 203, 204,
&end
#
# 15 THR HA 15 THR QG2 3.72 (#peak 1592 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1592, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 226, 227, 228,
&end
#
# 19 GLU- HN 19 GLU- QG 5.02 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 272, 273,
&end
#
# 24 ASN HB2 25 TYR HN 4.69 (#peak 755 #SUP 1.00)
&rst
ixpk= 755, nxpk= 0, iat= 333, 343, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 24 ASN HB3 25 TYR HN 4.69 (#peak 754 #SUP 0.79 #QF 0.79)
&rst
ixpk= 754, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 24 ASN QB 25 TYR HN 3.89 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 333, 334,
&end
#
# 25 TYR HA 26 ILE HN 3.22 (#peak 741 #SUP 0.90 #QF 0.90)
&rst
ixpk= 741, nxpk= 0, iat= 345, 364, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 25 TYR HB2 26 ILE HN 4.17 (#peak 748 #SUP 1.00)
&rst
ixpk= 748, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 25 TYR HB2 27 HIS HE1 5.03 (#peak 1623 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1623, nxpk= 0, iat= 347, 392, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 25 TYR HB3 26 ILE HN 4.17 (#peak 747 #SUP 0.99 #QF 0.99)
&rst
ixpk= 747, nxpk= 0, iat= 348, 364, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 25 TYR HB3 27 HIS HE1 5.03 (#peak 1624 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1624, nxpk= 0, iat= 348, 392, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 25 TYR HN 25 TYR HB2 3.86 (#peak 757 #SUP 0.95 #QF 0.95)
&rst
ixpk= 757, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 25 TYR HN 25 TYR HB3 3.86 (#peak 756 #SUP 0.99 #QF 0.99)
&rst
ixpk= 756, nxpk= 0, iat= 343, 348, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 25 TYR HN 25 TYR QB 3.24 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 347, 348,
&end
#
# 25 TYR HN 25 TYR QD 3.81 (#peak 752 #SUP 0.97 #QF 0.97)
&rst
ixpk= 752, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 351, 360,
&end
#
# 25 TYR HN 26 ILE HN 4.64 (#peak 744 #SUP 0.97 #QF 0.97)
&rst
ixpk= 744, nxpk= 0, iat= 343, 364, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 TYR QB 104 LYS+ HN 5.17 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 347, 348,
&end
#
# 25 TYR QB 104 LYS+ QG 4.06 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 347, 348,
igr2=1665,1666,
&end
#
# 25 TYR QB 26 ILE HN 3.44 (#peak 747)
&rst
ixpk= 747, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 347, 348,
&end
#
# 25 TYR QB 27 HIS HE1 4.43 (#peak 1623)
&rst
ixpk= 1623, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 347, 348,
&end
#
# 25 TYR QD 102 ASN HB3 4.73 (#peak 1579 #SUP 0.47 #QF 0.47)
&rst
ixpk= 1579, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 351, 360,
&end
#
# 25 TYR QD 104 LYS+ HB2 4.98 (#peak 1583 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1583, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 351, 360,
&end
#
# 25 TYR QD 104 LYS+ HB3 5.50 (#peak 1584 #SUP 0.74 #QF 0.47)
&rst
ixpk= 1584, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 360,
&end
#
# 25 TYR QD 104 LYS+ HD2 5.50 (#peak 1585 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1585, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 360,
&end
#
# 25 TYR QD 104 LYS+ HD3 5.50 (#peak 1584 #SUP 0.74 #QF 0.47)
&rst
ixpk= 1584, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 360,
&end
#
# 25 TYR QD 104 LYS+ QD 4.64 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 351, 360,
igr2=1668,1669,
&end
#
# 25 TYR QD 104 LYS+ QG 4.14 (#peak 1586)
&rst
ixpk= 1586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 351, 360,
igr2=1665,1666,
&end
#
# 25 TYR QD 26 ILE HB 5.50 (#peak 1581 #SUP 0.69 #QF 0.69)
&rst
ixpk= 1581, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 360,
&end
#
# 25 TYR QD 26 ILE HN 4.43 (#peak 1577 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1577, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 351, 360,
&end
#
# 25 TYR QD 27 HIS HE1 4.63 (#peak 1630 #SUP 1.00 #QF 0.89)
&rst
ixpk= 1630, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 351, 360,
&end
#
# 25 TYR QE 104 LYS+ QD 4.95 (#peak 1589)
&rst
ixpk= 1589, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 353, 358,
igr2=1668,1669,
&end
#
# 25 TYR QE 104 LYS+ QE 4.03 (#peak 1588 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 353, 358,
igr2=1671,1672,
&end
#
# 26 ILE HA 26 ILE HG12 4.11 (#peak 1544 #SUP 0.85 #QF 0.76)
&rst
ixpk= 1544, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 26 ILE HA 26 ILE HG13 4.11 (#peak 1549 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1549, nxpk= 0, iat= 366, 375, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 26 ILE HA 26 ILE QD1 3.88 (#peak 1562 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1562, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 377, 378, 379,
&end
#
# 26 ILE HA 26 ILE QG1 3.59 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 374, 375,
&end
#
# 26 ILE HA 26 ILE QG2 3.44 (#peak 1555 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1555, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 370, 371, 372,
&end
#
# 26 ILE HB 103 ILE HA 3.74 (#peak 1540 #SUP 0.88 #QF 0.74)
&rst
ixpk= 1540, nxpk= 0, iat= 368,1641, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 26 ILE HB 104 LYS+ HN 4.28 (#peak 29 #SUP 0.84 #QF 0.84)
&rst
ixpk= 29, nxpk= 0, iat= 368,1658, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 26 ILE HG12 45 VAL HA 4.17 (#peak 1280 #SUP 0.99 #QF 0.59)
&rst
ixpk= 1280, nxpk= 0, iat= 374, 690, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 ILE HG12 46 PRO HD3 4.35 (#peak 1545 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1545, nxpk= 0, iat= 374, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 26 ILE HG13 45 VAL HA 4.17 (#peak 1551 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1551, nxpk= 0, iat= 375, 690, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 ILE HG13 46 PRO HD3 4.35 (#peak 1550 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1550, nxpk= 0, iat= 375, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 26 ILE HN 102 ASN HB3 4.94 (#peak 99 #SUP 0.97 #QF 0.91)
&rst
ixpk= 99, nxpk= 0, iat= 364,1630, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 26 ILE HN 103 ILE HA 4.30 (#peak 740 #SUP 1.00 #QF 0.98)
&rst
ixpk= 740, nxpk= 0, iat= 364,1641, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 ILE HN 103 ILE HN 4.96 (#peak 743 #SUP 0.57 #QF 0.57)
&rst
ixpk= 743, nxpk= 0, iat= 364,1639, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 26 ILE HN 103 ILE QG2 4.34 (#peak 751 #SUP 0.51 #QF 0.51)
&rst
ixpk= 751, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1645,1646,1647,
&end
#
# 26 ILE HN 104 LYS+ HN 4.40 (#peak 34 #SUP 1.00)
&rst
ixpk= 34, nxpk= 0, iat= 364,1658, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 26 ILE HN 26 ILE HB 3.30 (#peak 749 #SUP 0.89 #QF 0.89)
&rst
ixpk= 749, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 ILE HN 26 ILE HG12 4.55 (#peak 750 #SUP 0.93 #QF 0.93)
&rst
ixpk= 750, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 26 ILE HN 26 ILE HG13 4.55 (#peak 1548 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1548, nxpk= 0, iat= 364, 375, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 26 ILE HN 26 ILE QD1 4.04 (#peak 1560 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1560, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 377, 378, 379,
&end
#
# 26 ILE HN 26 ILE QG2 4.35 (#peak 1553 #SUP 1.00)
&rst
ixpk= 1553, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 370, 371, 372,
&end
#
# 26 ILE HN 27 HIS HN 4.90 (#peak 728 #SUP 0.98 #QF 0.98)
&rst
ixpk= 728, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 ILE QD1 102 ASN HB2 4.88 (#peak 93 #SUP 0.99 #QF 0.58)
&rst
ixpk= 93, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 377, 378, 379,
&end
#
# 26 ILE QD1 102 ASN HB3 4.31 (#peak 1566 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1566, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 377, 378, 379,
&end
#
# 26 ILE QD1 45 VAL HA 3.56 (#peak 1564 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1564, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 377, 378, 379,
&end
#
# 26 ILE QD1 45 VAL HN 5.42 (#peak 1561 #SUP 1.00)
&rst
ixpk= 1561, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 377, 378, 379,
&end
#
# 26 ILE QD1 46 PRO HD2 3.93 (#peak 1565 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1565, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 377, 378, 379,
&end
#
# 26 ILE QD1 46 PRO HD3 3.48 (#peak 1563 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1563, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 377, 378, 379,
&end
#
# 26 ILE QD1 92 MET HG3 4.54 (#peak 1567 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1567, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 377, 378, 379,
&end
#
# 26 ILE QG1 27 HIS HN 4.46 (#peak 738)
&rst
ixpk= 738, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 374, 375,
&end
#
# 26 ILE QG1 45 VAL HA 3.36 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 374, 375,
&end
#
# 26 ILE QG1 46 PRO HD2 4.81 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 374, 375,
&end
#
# 26 ILE QG2 27 HIS HA 4.28 (#peak 1518 #SUP 0.84 #QF 0.73)
&rst
ixpk= 1518, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 27 HIS HB2 5.19 (#peak 1528 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1528, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 27 HIS HB3 5.47 (#peak 1530 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1530, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 27 HIS HN 3.37 (#peak 739 #SUP 0.95 #QF 0.95)
&rst
ixpk= 739, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 28 ILE HN 4.27 (#peak 727 #SUP 1.00 #QF 0.64)
&rst
ixpk= 727, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 45 VAL HA 4.40 (#peak 1556 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1556, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 45 VAL HN 4.09 (#peak 801 #SUP 0.79 #QF 0.57)
&rst
ixpk= 801, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 46 PRO HD3 5.33 (#peak 1557 #SUP 1.00)
&rst
ixpk= 1557, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 370, 371, 372,
&end
#
# 26 ILE QG2 92 MET HG3 3.55 (#peak 316 #SUP 0.47 #QF 0.47)
&rst
ixpk= 316, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 370, 371, 372,
&end
#
# 27 HIS HA 103 ILE QG2 4.72 (#peak 1518 #SUP 0.84 #QF 0.73)
&rst
ixpk= 1518, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1645,1646,1647,
&end
#
# 27 HIS HA 104 LYS+ HB2 4.05 (#peak 1517 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1517, nxpk= 0, iat= 385,1662, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 27 HIS HA 104 LYS+ HB3 4.41 (#peak 1516 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1516, nxpk= 0, iat= 385,1663, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 27 HIS HA 104 LYS+ HN 3.99 (#peak 33 #SUP 0.96 #QF 0.96)
&rst
ixpk= 33, nxpk= 0, iat= 385,1658, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 27 HIS HA 106 HIS HD2 4.20 (#peak 30 #SUP 0.95 #QF 0.95)
&rst
ixpk= 30, nxpk= 0, iat= 385,1712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 27 HIS HA 28 ILE HB 4.95 (#peak 1514 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1514, nxpk= 0, iat= 385, 404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 27 HIS HA 28 ILE HN 3.04 (#peak 717 #SUP 0.96 #QF 0.96)
&rst
ixpk= 717, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 27 HIS HA 28 ILE QG1 4.46 (#peak 1515)
&rst
ixpk= 1515, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 410, 411,
&end
#
# 27 HIS HA 43 GLN HN 5.22 (#peak 1509 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1509, nxpk= 0, iat= 385, 664, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 27 HIS HB2 28 ILE HN 4.78 (#peak 720 #SUP 0.99 #QF 0.99)
&rst
ixpk= 720, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 27 HIS HB2 29 ARG+ QG 4.86 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 426, 427,
&end
#
# 27 HIS HB2 43 GLN HB2 5.14 (#peak 1531 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1531, nxpk= 0, iat= 387, 668, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 27 HIS HB2 43 GLN HB3 3.97 (#peak 1532 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1532, nxpk= 0, iat= 387, 669, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 27 HIS HB2 43 GLN HN 4.48 (#peak 632 #SUP 0.99 #QF 0.99)
&rst
ixpk= 632, nxpk= 0, iat= 387, 664, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 27 HIS HB3 104 LYS+ HB3 5.50 (#peak 1523 #SUP 0.89 #QF 0.74)
&rst
ixpk= 1523, nxpk= 0, iat= 388,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 HIS HB3 106 HIS HD2 4.13 (#peak 28 #SUP 0.94 #QF 0.92)
&rst
ixpk= 28, nxpk= 0, iat= 388,1712, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 HIS HB3 28 ILE HN 4.41 (#peak 721 #SUP 0.99 #QF 0.99)
&rst
ixpk= 721, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 27 HIS HB3 29 ARG+ HN 5.50 (#peak 708 #SUP 0.87 #QF 0.58)
&rst
ixpk= 708, nxpk= 0, iat= 388, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 HIS HB3 29 ARG+ QG 5.01 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 426, 427,
&end
#
# 27 HIS HD2 43 GLN HB3 4.46 (#peak 1538 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1538, nxpk= 0, iat= 396, 669, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 27 HIS HD2 43 GLN QG 4.39 (#peak 1537)
&rst
ixpk= 1537, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 671, 672,
&end
#
# 27 HIS HD2 44 GLY HA3 4.57 (#peak 1534 #SUP 0.81 #QF 0.45)
&rst
ixpk= 1534, nxpk= 0, iat= 396, 684, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 27 HIS HE1 104 LYS+ QE 5.21 (#peak 1629 #SUP 0.99 #QF 0.32)
&rst
ixpk= 1629, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1671,1672,
&end
#
# 27 HIS HE1 104 LYS+ QG 4.24 (#peak 1625)
&rst
ixpk= 1625, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1665,1666,
&end
#
# 27 HIS HN 27 HIS HB2 3.56 (#peak 732 #SUP 0.98 #QF 0.98)
&rst
ixpk= 732, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 27 HIS HN 27 HIS HB3 3.92 (#peak 733 #SUP 0.99 #QF 0.99)
&rst
ixpk= 733, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 27 HIS HN 27 HIS HD2 3.98 (#peak 729 #SUP 0.99 #QF 0.99)
&rst
ixpk= 729, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 27 HIS HN 28 ILE QG1 5.34 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 410, 411,
&end
#
# 27 HIS HN 42 VAL QG1 4.23 (#peak 1325 #SUP 1.00 #QF 0.41)
&rst
ixpk= 1325, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 654, 655, 656,
&end
#
# 27 HIS HN 43 GLN HB2 5.50 (#peak 736 #SUP 1.00)
&rst
ixpk= 736, nxpk= 0, iat= 383, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 HIS HN 43 GLN HB3 4.34 (#peak 735 #SUP 0.99 #QF 0.99)
&rst
ixpk= 735, nxpk= 0, iat= 383, 669, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 27 HIS HN 43 GLN HN 3.81 (#peak 629 #SUP 0.59 #QF 0.59)
&rst
ixpk= 629, nxpk= 0, iat= 383, 664, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 27 HIS HN 43 GLN QG 5.34 (#peak 734)
&rst
ixpk= 734, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 671, 672,
&end
#
# 27 HIS HN 44 GLY HA3 3.50 (#peak 731 #SUP 0.25 #QF 0.25)
&rst
ixpk= 731, nxpk= 0, iat= 383, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ILE HA 28 ILE HG12 4.19 (#peak 1483 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1483, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 ILE HA 28 ILE HG13 4.19 (#peak 1494 #SUP 1.00)
&rst
ixpk= 1494, nxpk= 0, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 ILE HA 28 ILE QD1 4.22 (#peak 1505 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1505, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 413, 414, 415,
&end
#
# 28 ILE HA 28 ILE QG1 3.65 (#peak 1483)
&rst
ixpk= 1483, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 410, 411,
&end
#
# 28 ILE HA 28 ILE QG2 3.37 (#peak 1484 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1484, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 406, 407, 408,
&end
#
# 28 ILE HA 29 ARG+ HN 2.98 (#peak 704 #SUP 0.93 #QF 0.93)
&rst
ixpk= 704, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 28 ILE HA 42 VAL HA 4.06 (#peak 1481 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1481, nxpk= 0, iat= 402, 650, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 ILE HA 42 VAL QG1 4.50 (#peak 1327 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1327, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 654, 655, 656,
&end
#
# 28 ILE HA 42 VAL QG2 3.67 (#peak 1485 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1485, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 658, 659, 660,
&end
#
# 28 ILE HA 43 GLN HN 4.62 (#peak 630 #SUP 0.96 #QF 0.96)
&rst
ixpk= 630, nxpk= 0, iat= 402, 664, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 28 ILE HB 105 ILE HA 4.00 (#peak 1489 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1489, nxpk= 0, iat= 404,1682, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ILE HB 106 HIS HN 4.50 (#peak 11 #SUP 0.91 #QF 0.91)
&rst
ixpk= 11, nxpk= 0, iat= 404,1699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HB 28 ILE QD1 3.22 (#peak 1491 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1491, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 413, 414, 415,
&end
#
# 28 ILE HB 29 ARG+ HN 4.76 (#peak 709 #SUP 1.00)
&rst
ixpk= 709, nxpk= 0, iat= 404, 419, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 28 ILE HN 104 LYS+ HB2 4.64 (#peak 724 #SUP 0.85 #QF 0.85)
&rst
ixpk= 724, nxpk= 0, iat= 400,1662, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 ILE HN 104 LYS+ HB3 5.35 (#peak 53 #SUP 0.98 #QF 0.98)
&rst
ixpk= 53, nxpk= 0, iat= 400,1663, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 28 ILE HN 105 ILE HA 4.20 (#peak 719 #SUP 0.75 #QF 0.75)
&rst
ixpk= 719, nxpk= 0, iat= 400,1682, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 ILE HN 106 HIS HD2 3.87 (#peak 716 #SUP 0.99 #QF 0.99)
&rst
ixpk= 716, nxpk= 0, iat= 400,1712, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 ILE HN 106 HIS HN 4.70 (#peak 17 #SUP 0.97 #QF 0.97)
&rst
ixpk= 17, nxpk= 0, iat= 400,1699, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 ILE HN 28 ILE HB 3.60 (#peak 722 #SUP 0.99 #QF 0.99)
&rst
ixpk= 722, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 28 ILE HN 28 ILE HG12 4.06 (#peak 723 #SUP 0.99 #QF 0.99)
&rst
ixpk= 723, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 ILE HN 28 ILE HG13 4.06 (#peak 726 #SUP 0.89 #QF 0.89)
&rst
ixpk= 726, nxpk= 0, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 ILE HN 28 ILE QD1 4.32 (#peak 1504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1504, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 413, 414, 415,
&end
#
# 28 ILE HN 28 ILE QG1 3.57 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 410, 411,
&end
#
# 28 ILE HN 28 ILE QG2 4.47 (#peak 1496 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1496, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 406, 407, 408,
&end
#
# 28 ILE HN 29 ARG+ HN 4.40 (#peak 703 #SUP 1.00 #QF 0.49)
&rst
ixpk= 703, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 28 ILE HN 29 ARG+ QG 5.34 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 426, 427,
&end
#
# 28 ILE QD1 85 ARG+ HA 3.85 (#peak 481 #SUP 0.98 #QF 0.98)
&rst
ixpk= 481, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 88 VAL HA 4.87 (#peak 421 #SUP 0.68 #QF 0.68)
&rst
ixpk= 421, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 88 VAL HB 3.53 (#peak 435 #SUP 0.85 #QF 0.85)
&rst
ixpk= 435, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 88 VAL HN 4.40 (#peak 286 #SUP 0.86 #QF 0.86)
&rst
ixpk= 286, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 89 CYS HA 3.45 (#peak 399 #SUP 0.95 #QF 0.81)
&rst
ixpk= 399, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 89 CYS HB2 3.47 (#peak 408 #SUP 0.93 #QF 0.78)
&rst
ixpk= 408, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 89 CYS HB3 4.06 (#peak 413 #SUP 0.91 #QF 0.91)
&rst
ixpk= 413, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 413, 414, 415,
&end
#
# 28 ILE QD1 89 CYS HN 3.71 (#peak 213 #SUP 0.98 #QF 0.98)
&rst
ixpk= 213, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 413, 414, 415,
&end
#
# 28 ILE QG2 28 ILE QD1 2.40 (#peak 274 #SUP 0.73 #QF 0.73)
&rst
ixpk= 274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 406, 407, 408,
igr2= 413, 414, 415,
&end
#
# 28 ILE QG2 29 ARG+ HN 3.58 (#peak 713 #SUP 0.95 #QF 0.95)
&rst
ixpk= 713, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 40 THR HA 4.55 (#peak 1499 #SUP 0.24 #QF 0.24)
&rst
ixpk= 1499, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 41 THR HN 4.94 (#peak 1496 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1496, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 84 GLN HA 5.50 (#peak 513 #SUP 0.74 #QF 0.74)
&rst
ixpk= 513, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 85 ARG+ HA 3.05 (#peak 482 #SUP 0.96 #QF 0.96)
&rst
ixpk= 482, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 85 ARG+ HD2 4.83 (#peak 1503 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1503, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 85 ARG+ HD3 4.83 (#peak 1502 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1502, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 85 ARG+ HN 4.29 (#peak 812 #SUP 0.81 #QF 0.60)
&rst
ixpk= 812, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 406, 407, 408,
&end
#
# 28 ILE QG2 85 ARG+ QB 4.10 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 406, 407, 408,
igr2=1341,1342,
&end
#
# 28 ILE QG2 85 ARG+ QD 4.21 (#peak 1502)
&rst
ixpk= 1502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 406, 407, 408,
igr2=1347,1348,
&end
#
# 28 ILE QG2 85 ARG+ QG 4.38 (#peak 1708)
&rst
ixpk= 1708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 406, 407, 408,
igr2=1344,1345,
&end
#
# 28 ILE QG2 89 CYS HN 4.75 (#peak 1497 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1497, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 406, 407, 408,
&end
#
# 29 ARG+ HA 106 HIS HB2 4.38 (#peak 21 #SUP 0.96 #QF 0.96)
&rst
ixpk= 21, nxpk= 0, iat= 421,1703, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 29 ARG+ HA 106 HIS HB3 4.38 (#peak 22 #SUP 0.97 #QF 0.97)
&rst
ixpk= 22, nxpk= 0, iat= 421,1704, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 29 ARG+ HA 106 HIS HD2 5.00 (#peak 31 #SUP 0.94 #QF 0.94)
&rst
ixpk= 31, nxpk= 0, iat= 421,1712, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ARG+ HA 106 HIS HN 4.10 (#peak 14 #SUP 0.88 #QF 0.88)
&rst
ixpk= 14, nxpk= 0, iat= 421,1699, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 ARG+ HA 106 HIS QB 3.80 (#peak 21)
&rst
ixpk= 21, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1703,1704,
&end
#
# 29 ARG+ HA 30 ILE HN 3.34 (#peak 795 #SUP 0.84 #QF 0.84)
&rst
ixpk= 795, nxpk= 0, iat= 421, 443, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 29 ARG+ HB2 29 ARG+ HD2 4.22 (#peak 1477 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1477, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 ARG+ HB2 29 ARG+ HD3 4.22 (#peak 1474 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1474, nxpk= 0, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 ARG+ HB2 30 ILE HN 4.72 (#peak 1461 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1461, nxpk= 0, iat= 423, 443, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 ARG+ HB3 29 ARG+ HD2 4.22 (#peak 1706 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1706, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 ARG+ HB3 29 ARG+ HD3 4.22 (#peak 1475 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1475, nxpk= 0, iat= 424, 430, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 ARG+ HB3 30 ILE HN 4.72 (#peak 1463 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1463, nxpk= 0, iat= 424, 443, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 ARG+ HG2 106 HIS HN 5.50 (#peak 8 #SUP 0.79 #QF 0.57)
&rst
ixpk= 8, nxpk= 0, iat= 426,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ARG+ HG3 106 HIS HN 5.50 (#peak 8 #SUP 0.79 #QF 0.57)
&rst
ixpk= 8, nxpk= 0, iat= 427,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ARG+ HN 29 ARG+ HB2 4.13 (#peak 710 #SUP 1.00)
&rst
ixpk= 710, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 29 ARG+ HN 29 ARG+ HB3 4.13 (#peak 711 #SUP 0.98 #QF 0.98)
&rst
ixpk= 711, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 29 ARG+ HN 29 ARG+ HD2 5.50 (#peak 707 #SUP 0.97 #QF 0.97)
&rst
ixpk= 707, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ARG+ HN 29 ARG+ HD3 5.50 (#peak 708 #SUP 0.87 #QF 0.58)
&rst
ixpk= 708, nxpk= 0, iat= 419, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ARG+ HN 29 ARG+ HG2 4.65 (#peak 712 #SUP 0.78 #QF 0.60)
&rst
ixpk= 712, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 29 ARG+ HN 29 ARG+ HG3 4.65 (#peak 712 #SUP 0.78 #QF 0.60)
&rst
ixpk= 712, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 29 ARG+ HN 29 ARG+ QB 3.46 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 423, 424,
&end
#
# 29 ARG+ HN 29 ARG+ QD 4.71 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 429, 430,
&end
#
# 29 ARG+ HN 29 ARG+ QG 3.86 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 426, 427,
&end
#
# 29 ARG+ HN 40 THR QG2 4.21 (#peak 1373 #SUP 0.58 #QF 0.58)
&rst
ixpk= 1373, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 626, 627, 628,
&end
#
# 29 ARG+ HN 41 THR HB 5.03 (#peak 706 #SUP 0.90 #QF 0.90)
&rst
ixpk= 706, nxpk= 0, iat= 419, 638, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 29 ARG+ HN 41 THR HN 3.95 (#peak 659 #SUP 0.93 #QF 0.93)
&rst
ixpk= 659, nxpk= 0, iat= 419, 634, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 29 ARG+ HN 42 VAL HA 4.51 (#peak 804 #SUP 0.82 #QF 0.82)
&rst
ixpk= 804, nxpk= 0, iat= 419, 650, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 ARG+ HN 42 VAL QG2 4.46 (#peak 714 #SUP 0.49 #QF 0.49)
&rst
ixpk= 714, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 658, 659, 660,
&end
#
# 29 ARG+ QB 29 ARG+ QD 3.23 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 423, 424,
igr2= 429, 430,
&end
#
# 29 ARG+ QB 30 ILE HN 3.99 (#peak 1461)
&rst
ixpk= 1461, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 423, 424,
&end
#
# 29 ARG+ QB 41 THR HB 4.39 (#peak 1341)
&rst
ixpk= 1341, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 423, 424,
&end
#
# 29 ARG+ QB 41 THR HN 4.56 (#peak 662)
&rst
ixpk= 662, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 423, 424,
&end
#
# 29 ARG+ QG 106 HIS HD2 3.70 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 426, 427,
&end
#
# 29 ARG+ QG 106 HIS HN 4.75 (#peak 8)
&rst
ixpk= 8, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 426, 427,
&end
#
# 29 ARG+ QG 106 HIS QB 3.90 (#peak 19)
&rst
ixpk= 19, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 426, 427,
igr2=1703,1704,
&end
#
# 30 ILE HA 30 ILE QD1 4.07 (#peak 1455 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1455, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 456, 457, 458,
&end
#
# 30 ILE HA 30 ILE QG1 3.68 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 453, 454,
&end
#
# 30 ILE HA 30 ILE QG2 3.71 (#peak 1435 #SUP 1.00)
&rst
ixpk= 1435, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 449, 450, 451,
&end
#
# 30 ILE HA 31 GLN HN 3.11 (#peak 688 #SUP 0.86 #QF 0.86)
&rst
ixpk= 688, nxpk= 0, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 30 ILE HA 40 THR HA 2.70 (#peak 1710 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1710, nxpk= 0, iat= 445, 622, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 30 ILE HA 41 THR HN 4.48 (#peak 1429 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1429, nxpk= 0, iat= 445, 634, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 30 ILE HB 108 PHE QB 4.07 (#peak 1437)
&rst
ixpk= 1437, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1727,1728,
&end
#
# 30 ILE HB 30 ILE QD1 3.64 (#peak 1440 #SUP 1.00)
&rst
ixpk= 1440, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 456, 457, 458,
&end
#
# 30 ILE HB 31 GLN HN 4.02 (#peak 1173 #SUP 0.98 #QF 0.32)
&rst
ixpk= 1173, nxpk= 0, iat= 447, 462, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 30 ILE HB 40 THR HA 5.50 (#peak 1704 #SUP 0.99 #QF 0.93)
&rst
ixpk= 1704, nxpk= 0, iat= 447, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HN 106 HIS QB 4.61 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1703,1704,
&end
#
# 30 ILE HN 30 ILE QD1 4.52 (#peak 701 #SUP 1.00 #QF 0.99)
&rst
ixpk= 701, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 456, 457, 458,
&end
#
# 30 ILE HN 30 ILE QG1 3.69 (#peak 700)
&rst
ixpk= 700, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 453, 454,
&end
#
# 30 ILE HN 30 ILE QG2 3.97 (#peak 1450 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1450, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 449, 450, 451,
&end
#
# 30 ILE HN 31 GLN HN 4.77 (#peak 687 #SUP 0.94 #QF 0.94)
&rst
ixpk= 687, nxpk= 0, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 30 ILE QD1 107 GLY HA2 4.46 (#peak 17 #SUP 0.37 #QF 0.37)
&rst
ixpk= 17, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 107 GLY HA3 4.46 (#peak 18 #SUP 0.49 #QF 0.49)
&rst
ixpk= 18, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 107 GLY QA 3.81 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 456, 457, 458,
igr2=1718,1719,
&end
#
# 30 ILE QD1 108 PHE HA 5.50 (#SUP 0.90 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 108 PHE HN 4.56 (#SUP 0.97 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 108 PHE HZ 5.50 (#peak 14 #SUP 0.77 #QF 0.37)
&rst
ixpk= 14, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 108 PHE QD 4.14 (#peak 1453 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 456, 457, 458,
igr2=1731,1739,
&end
#
# 30 ILE QD1 31 GLN HN 5.00 (#peak 1451 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1451, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 40 THR HG1 4.61 (#peak 1454 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1454, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 83 ASP- HA 3.83 (#peak 1456 #SUP 0.97 #QF 0.96)
&rst
ixpk= 1456, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 83 ASP- HB2 4.36 (#peak 1459 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1459, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 83 ASP- HB3 4.36 (#peak 1458 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1458, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 83 ASP- QB 3.61 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 456, 457, 458,
igr2=1312,1313,
&end
#
# 30 ILE QD1 84 GLN HN 4.85 (#peak 1452 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1452, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 85 ARG+ HN 4.71 (#peak 237 #SUP 0.92 #QF 0.92)
&rst
ixpk= 237, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 456, 457, 458,
&end
#
# 30 ILE QD1 85 ARG+ QD 3.97 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 456, 457, 458,
igr2=1347,1348,
&end
#
# 30 ILE QG1 31 GLN HN 4.14 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 453, 454,
&end
#
# 30 ILE QG1 85 ARG+ QD 4.26 (#peak 1695)
&rst
ixpk= 1695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 453, 454,
igr2=1347,1348,
&end
#
# 30 ILE QG2 108 PHE HA 5.50 (#SUP 0.90 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 449, 450, 451,
&end
#
# 30 ILE QG2 108 PHE HZ 5.50 (#peak 14 #SUP 0.77 #QF 0.37)
&rst
ixpk= 14, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 449, 450, 451,
&end
#
# 30 ILE QG2 108 PHE QD 4.83 (#peak 10 #SUP 1.00 #QF 0.88)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 449, 450, 451,
igr2=1731,1739,
&end
#
# 30 ILE QG2 31 GLN HN 4.09 (#peak 696 #SUP 1.00)
&rst
ixpk= 696, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 449, 450, 451,
&end
#
# 30 ILE QG2 40 THR HA 4.00 (#peak 1359 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1359, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 449, 450, 451,
&end
#
# 30 ILE QG2 83 ASP- HA 4.99 (#peak 551 #SUP 0.99 #QF 0.86)
&rst
ixpk= 551, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 449, 450, 451,
&end
#
# 31 GLN HB2 39 LEU HB2 4.49 (#peak 1395 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1395, nxpk= 0, iat= 466, 605, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 31 GLN HB3 39 LEU HB2 4.49 (#peak 1394 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1394, nxpk= 0, iat= 467, 605, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 31 GLN HN 31 GLN QB 3.69 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 466, 467,
&end
#
# 31 GLN HN 31 GLN QG 4.23 (#peak 689 #SUP 0.92 #QF 0.92)
&rst
ixpk= 689, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 469, 470,
&end
#
# 31 GLN HN 38 THR QG2 4.45 (#peak 1423 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1423, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 593, 594, 595,
&end
#
# 31 GLN HN 39 LEU HN 3.92 (#peak 686 #SUP 0.98 #QF 0.98)
&rst
ixpk= 686, nxpk= 0, iat= 462, 601, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 31 GLN HN 40 THR HA 4.46 (#peak 1355 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1355, nxpk= 0, iat= 462, 622, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 31 GLN QB 39 LEU HB2 3.86 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 466, 467,
&end
#
# 31 GLN QB 39 LEU HB3 4.24 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 466, 467,
&end
#
# 31 GLN QB 39 LEU HN 4.68 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 466, 467,
&end
#
# 31 GLN QG 39 LEU HB2 4.63 (#peak 1393 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1393, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 469, 470,
&end
#
# 31 GLN QG 39 LEU HB3 5.50 (#peak 1392 #SUP 0.81 #QF 0.58)
&rst
ixpk= 1392, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 469, 470,
&end
#
# 31 GLN QG 39 LEU HN 4.94 (#peak 678 #SUP 0.89 #QF 0.89)
&rst
ixpk= 678, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 469, 470,
&end
#
# 32 GLN QE2 74 MET QE 4.48 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 491, 492,
igr2=1182,1183,1184,
&end
#
# 33 ARG+ QB 33 ARG+ QD 3.19 (#peak 509)
&rst
ixpk= 509, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 500, 501,
igr2= 506, 507,
&end
#
# 36 ARG+ QB 36 ARG+ QD 3.77 (#peak 1684 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 545, 546,
igr2= 551, 552,
&end
#
# 38 THR HA 38 THR QG2 4.20 (#peak 1421 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1421, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 593, 594, 595,
&end
#
# 38 THR HA 39 LEU HN 3.46 (#peak 797 #SUP 0.96 #QF 0.96)
&rst
ixpk= 797, nxpk= 0, iat= 589, 601, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 38 THR HB 39 LEU HN 4.52 (#peak 677 #SUP 0.99 #QF 0.99)
&rst
ixpk= 677, nxpk= 0, iat= 591, 601, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 38 THR HB 82 GLY HN 4.63 (#peak 1416 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1416, nxpk= 0, iat= 591,1301, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 38 THR QG2 39 LEU HA 4.45 (#peak 1419 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1419, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 593, 594, 595,
&end
#
# 38 THR QG2 39 LEU HN 3.86 (#peak 681 #SUP 0.99 #QF 0.99)
&rst
ixpk= 681, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 593, 594, 595,
&end
#
# 38 THR QG2 82 GLY HN 4.61 (#peak 285 #SUP 0.87 #QF 0.87)
&rst
ixpk= 285, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 593, 594, 595,
&end
#
# 38 THR QG2 83 ASP- HA 4.22 (#peak 1420 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1420, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 593, 594, 595,
&end
#
# 38 THR QG2 83 ASP- QB 3.81 (#peak 1019)
&rst
ixpk= 1019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 593, 594, 595,
igr2=1312,1313,
&end
#
# 39 LEU HA 39 LEU QD2 3.39 (#peak 1405 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1405, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 614, 615, 616,
&end
#
# 39 LEU HA 40 THR HG1 4.68 (#peak 1383 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1383, nxpk= 0, iat= 603, 630, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 LEU HA 40 THR HN 3.15 (#peak 668 #SUP 0.93 #QF 0.93)
&rst
ixpk= 668, nxpk= 0, iat= 603, 620, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 39 LEU HA 81 GLN HA 3.89 (#peak 564 #SUP 0.91 #QF 0.91)
&rst
ixpk= 564, nxpk= 0, iat= 603,1286, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 LEU HA 82 GLY HN 3.57 (#peak 280 #SUP 0.97 #QF 0.97)
&rst
ixpk= 280, nxpk= 0, iat= 603,1301, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 39 LEU HB2 39 LEU QD1 3.33 (#peak 1413 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1413, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 610, 611, 612,
&end
#
# 39 LEU HB2 40 THR HN 4.43 (#peak 1388 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1388, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 LEU HB2 41 THR QG2 4.58 (#peak 1397 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1397, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 640, 641, 642,
&end
#
# 39 LEU HB3 39 LEU QD1 3.66 (#peak 1400 #SUP 0.98 #QF 0.92)
&rst
ixpk= 1400, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 610, 611, 612,
&end
#
# 39 LEU HB3 39 LEU QD2 3.91 (#peak 1400 #SUP 0.98 #QF 0.92)
&rst
ixpk= 1400, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 614, 615, 616,
&end
#
# 39 LEU HB3 40 THR HN 3.91 (#peak 671 #SUP 0.92 #QF 0.92)
&rst
ixpk= 671, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 39 LEU HB3 41 THR QG2 4.57 (#peak 1398 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1398, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 640, 641, 642,
&end
#
# 39 LEU HB3 79 GLN HA 3.99 (#peak 615 #SUP 0.90 #QF 0.90)
&rst
ixpk= 615, nxpk= 0, iat= 606,1250, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 39 LEU HB3 79 GLN HG2 4.73 (#peak 641 #SUP 0.95 #QF 0.84)
&rst
ixpk= 641, nxpk= 0, iat= 606,1255, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 39 LEU HB3 79 GLN HG3 5.50 (#peak 1392 #SUP 0.81 #QF 0.58)
&rst
ixpk= 1392, nxpk= 0, iat= 606,1256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HB3 80 LEU HN 3.83 (#peak 304 #SUP 0.79 #QF 0.79)
&rst
ixpk= 304, nxpk= 0, iat= 606,1265, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 39 LEU HN 39 LEU HB2 3.96 (#peak 680 #SUP 0.87 #QF 0.87)
&rst
ixpk= 680, nxpk= 0, iat= 601, 605, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 39 LEU HN 39 LEU HG 4.63 (#peak 1401 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1401, nxpk= 0, iat= 601, 608, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 39 LEU QD1 79 GLN HA 4.94 (#peak 1410 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1410, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 610, 611, 612,
&end
#
# 39 LEU QD1 79 GLN HG3 4.60 (#peak 1414 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1414, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 610, 611, 612,
&end
#
# 39 LEU QD1 79 GLN QB 3.58 (#peak 624 #SUP 0.97 #QF 0.92)
&rst
ixpk= 624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 610, 611, 612,
igr2=1252,1253,
&end
#
# 39 LEU QD1 79 GLN QE2 4.36 (#peak 1409)
&rst
ixpk= 1409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 610, 611, 612,
igr2=1260,1261,
&end
#
# 39 LEU QD1 81 GLN HA 4.89 (#peak 1411 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1411, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 610, 611, 612,
&end
#
# 39 LEU QD2 40 THR HN 4.45 (#peak 673 #SUP 0.87 #QF 0.87)
&rst
ixpk= 673, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 614, 615, 616,
&end
#
# 39 LEU QD2 81 GLN HA 3.42 (#peak 1406 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1406, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 614, 615, 616,
&end
#
# 39 LEU QD2 81 GLN HN 4.35 (#peak 1404 #SUP 1.00 #QF 0.86)
&rst
ixpk= 1404, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 614, 615, 616,
&end
#
# 39 LEU QD2 81 GLN QG 4.05 (#peak 1407)
&rst
ixpk= 1407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 614, 615, 616,
igr2=1291,1292,
&end
#
# 39 LEU QD2 82 GLY HN 4.23 (#peak 286 #SUP 0.99 #QF 0.99)
&rst
ixpk= 286, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 614, 615, 616,
&end
#
# 40 THR HA 40 THR QG2 3.31 (#peak 1377 #SUP 1.00)
&rst
ixpk= 1377, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 626, 627, 628,
&end
#
# 40 THR HA 41 THR HN 3.05 (#peak 658 #SUP 0.96 #QF 0.96)
&rst
ixpk= 658, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 40 THR HA 80 LEU HB3 5.50 (#peak 1704 #SUP 0.99 #QF 0.93)
&rst
ixpk= 1704, nxpk= 0, iat= 622,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR HB 41 THR HN 4.99 (#peak 661 #SUP 0.96 #QF 0.96)
&rst
ixpk= 661, nxpk= 0, iat= 624, 634, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 40 THR HB 80 LEU HB2 3.99 (#peak 583 #SUP 0.99 #QF 0.99)
&rst
ixpk= 583, nxpk= 0, iat= 624,1269, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 40 THR HB 80 LEU HB3 3.33 (#peak 1368 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1368, nxpk= 0, iat= 624,1270, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 40 THR HB 80 LEU HN 4.03 (#peak 1360 #SUP 0.99 #QF 0.94)
&rst
ixpk= 1360, nxpk= 0, iat= 624,1265, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 40 THR HB 80 LEU QD1 5.07 (#peak 600 #SUP 0.99 #QF 0.99)
&rst
ixpk= 600, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1274,1275,1276,
&end
#
# 40 THR HB 80 LEU QD2 3.93 (#peak 1370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1370, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1278,1279,1280,
&end
#
# 40 THR HB 84 GLN HB2 4.56 (#peak 1365 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1365, nxpk= 0, iat= 624,1324, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 40 THR HB 84 GLN HB3 5.44 (#peak 546 #SUP 0.99 #QF 0.99)
&rst
ixpk= 546, nxpk= 0, iat= 624,1325, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 40 THR HB 84 GLN HE21 5.50 (#peak 1362 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1362, nxpk= 0, iat= 624,1332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR HB 84 GLN HG2 4.88 (#peak 547 #SUP 0.98 #QF 0.98)
&rst
ixpk= 547, nxpk= 0, iat= 624,1327, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 40 THR HB 84 GLN HG3 4.88 (#peak 1367 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1367, nxpk= 0, iat= 624,1328, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 40 THR HB 84 GLN HN 4.13 (#peak 1361 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1361, nxpk= 0, iat= 624,1320, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 THR HB 84 GLN QG 4.20 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1327,1328,
&end
#
# 40 THR HG1 83 ASP- HA 4.09 (#peak 1729 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1729, nxpk= 0, iat= 630,1310, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 40 THR HG1 84 GLN HN 3.24 (#peak 250 #SUP 0.88 #QF 0.88)
&rst
ixpk= 250, nxpk= 0, iat= 630,1320, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 40 THR HG1 85 ARG+ HN 5.14 (#peak 246 #SUP 1.00)
&rst
ixpk= 246, nxpk= 0, iat= 630,1337, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 40 THR HN 40 THR HB 3.59 (#peak 1360 #SUP 0.99 #QF 0.94)
&rst
ixpk= 1360, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 40 THR HN 40 THR HG1 3.93 (#peak 667 #SUP 0.93 #QF 0.93)
&rst
ixpk= 667, nxpk= 0, iat= 620, 630, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 40 THR HN 40 THR QG2 4.30 (#peak 1371 #SUP 1.00)
&rst
ixpk= 1371, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 626, 627, 628,
&end
#
# 40 THR HN 41 THR QG2 5.23 (#peak 1344 #SUP 1.00 #QF 0.73)
&rst
ixpk= 1344, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 640, 641, 642,
&end
#
# 40 THR HN 80 LEU HB2 5.04 (#peak 674 #SUP 0.99 #QF 0.95)
&rst
ixpk= 674, nxpk= 0, iat= 620,1269, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 40 THR HN 80 LEU HB3 4.70 (#peak 588 #SUP 1.00 #QF 0.86)
&rst
ixpk= 588, nxpk= 0, iat= 620,1270, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 40 THR HN 81 GLN HA 4.87 (#peak 669 #SUP 0.98 #QF 0.98)
&rst
ixpk= 669, nxpk= 0, iat= 620,1286, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 40 THR HN 81 GLN HN 5.08 (#peak 666 #SUP 1.00 #QF 0.71)
&rst
ixpk= 666, nxpk= 0, iat= 620,1284, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 THR HN 82 GLY HN 4.68 (#peak 281 #SUP 0.98 #QF 0.98)
&rst
ixpk= 281, nxpk= 0, iat= 620,1301, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 40 THR HN 84 GLN HN 5.15 (#peak 665 #SUP 0.83 #QF 0.83)
&rst
ixpk= 665, nxpk= 0, iat= 620,1320, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 40 THR QG2 40 THR HG1 3.81 (#peak 1376 #SUP 1.00)
&rst
ixpk= 1376, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 626, 627, 628,
&end
#
# 40 THR QG2 41 THR HN 3.56 (#peak 1372 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1372, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 626, 627, 628,
&end
#
# 40 THR QG2 80 LEU HN 4.65 (#peak 1371 #SUP 1.00)
&rst
ixpk= 1371, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 626, 627, 628,
&end
#
# 40 THR QG2 84 GLN HB2 4.19 (#peak 1380 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1380, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 626, 627, 628,
&end
#
# 40 THR QG2 84 GLN HN 3.91 (#peak 1374 #SUP 1.00)
&rst
ixpk= 1374, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 626, 627, 628,
&end
#
# 40 THR QG2 85 ARG+ HA 3.54 (#peak 1379 #SUP 0.62 #QF 0.62)
&rst
ixpk= 1379, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 626, 627, 628,
&end
#
# 40 THR QG2 85 ARG+ HN 4.11 (#peak 1375 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1375, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 626, 627, 628,
&end
#
# 41 THR HA 41 THR QG2 3.27 (#peak 1348 #SUP 1.00)
&rst
ixpk= 1348, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 640, 641, 642,
&end
#
# 41 THR HA 42 VAL HN 3.04 (#peak 644 #SUP 0.99 #QF 0.99)
&rst
ixpk= 644, nxpk= 0, iat= 636, 648, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 41 THR HA 42 VAL QG2 4.02 (#peak 1719 #SUP 0.98 #QF 0.92)
&rst
ixpk= 1719, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 658, 659, 660,
&end
#
# 41 THR HA 77 ILE QD1 4.41 (#peak 1719 #SUP 0.98 #QF 0.92)
&rst
ixpk= 1719, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1223,1224,1225,
&end
#
# 41 THR HA 77 ILE QG2 4.71 (#peak 687 #SUP 0.99 #QF 0.99)
&rst
ixpk= 687, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1216,1217,1218,
&end
#
# 41 THR HA 78 ILE HN 4.81 (#peak 1712 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1712, nxpk= 0, iat= 636,1229, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 THR HA 79 GLN HA 3.44 (#peak 1711 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1711, nxpk= 0, iat= 636,1250, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 41 THR HA 79 GLN HG2 4.92 (#peak 635 #SUP 0.86 #QF 0.86)
&rst
ixpk= 635, nxpk= 0, iat= 636,1255, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 41 THR HA 79 GLN QB 4.69 (#peak 621 #SUP 0.99 #QF 0.99)
&rst
ixpk= 621, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1252,1253,
&end
#
# 41 THR HA 80 LEU HN 4.25 (#peak 1715 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1715, nxpk= 0, iat= 636,1265, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 41 THR HB 42 VAL HN 3.78 (#peak 1337 #SUP 1.00)
&rst
ixpk= 1337, nxpk= 0, iat= 638, 648, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 41 THR HB 43 GLN HB2 5.15 (#peak 1339 #SUP 0.98 #QF 0.67)
&rst
ixpk= 1339, nxpk= 0, iat= 638, 668, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 THR HB 77 ILE HB 4.55 (#peak 1340 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1340, nxpk= 0, iat= 638,1214, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 41 THR HB 77 ILE QD1 3.57 (#peak 694 #SUP 0.95 #QF 0.95)
&rst
ixpk= 694, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1223,1224,1225,
&end
#
# 41 THR HB 77 ILE QG2 3.86 (#peak 689 #SUP 0.95 #QF 0.95)
&rst
ixpk= 689, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1216,1217,1218,
&end
#
# 41 THR HB 79 GLN HG2 5.50 (#peak 1339 #SUP 0.98 #QF 0.67)
&rst
ixpk= 1339, nxpk= 0, iat= 638,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 THR HN 41 THR HB 4.21 (#peak 1336 #SUP 1.00)
&rst
ixpk= 1336, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 41 THR HN 41 THR QG2 3.92 (#peak 1345 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1345, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 640, 641, 642,
&end
#
# 41 THR HN 42 VAL HN 4.74 (#peak 805 #SUP 0.93 #QF 0.93)
&rst
ixpk= 805, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 41 THR QG2 42 VAL HN 3.80 (#peak 1346 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1346, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 77 ILE HA 5.50 (#peak 1350 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1350, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN HA 3.66 (#peak 1349 #SUP 1.00)
&rst
ixpk= 1349, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN HE21 4.75 (#peak 1347 #SUP 0.68 #QF 0.68)
&rst
ixpk= 1347, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN HE22 4.75 (#peak 322 #SUP 0.97 #QF 0.97)
&rst
ixpk= 322, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN HG2 4.00 (#peak 639 #SUP 1.00)
&rst
ixpk= 639, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN HG3 3.62 (#peak 1352 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1352, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN HN 4.73 (#peak 314 #SUP 0.99 #QF 0.99)
&rst
ixpk= 314, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 640, 641, 642,
&end
#
# 41 THR QG2 79 GLN QB 4.08 (#peak 623 #SUP 1.00)
&rst
ixpk= 623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 640, 641, 642,
igr2=1252,1253,
&end
#
# 41 THR QG2 79 GLN QE2 4.18 (#peak 322)
&rst
ixpk= 322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 640, 641, 642,
igr2=1260,1261,
&end
#
# 41 THR QG2 80 LEU HN 4.86 (#peak 306 #SUP 1.00)
&rst
ixpk= 306, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 640, 641, 642,
&end
#
# 42 VAL HB 78 ILE HB 3.18 (#peak 651 #SUP 0.95 #QF 0.95)
&rst
ixpk= 651, nxpk= 0, iat= 652,1233, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 42 VAL HB 78 ILE HN 3.54 (#peak 509 #SUP 0.94 #QF 0.45)
&rst
ixpk= 509, nxpk= 0, iat= 652,1229, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 42 VAL HB 78 ILE QG2 3.72 (#peak 667 #SUP 0.76 #QF 0.76)
&rst
ixpk= 667, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1235,1236,1237,
&end
#
# 42 VAL HN 42 VAL HB 3.64 (#peak 648 #SUP 0.94 #QF 0.94)
&rst
ixpk= 648, nxpk= 0, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 42 VAL HN 42 VAL QG1 3.93 (#peak 652 #SUP 0.99 #QF 0.99)
&rst
ixpk= 652, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 654, 655, 656,
&end
#
# 42 VAL HN 42 VAL QG2 3.52 (#peak 653 #SUP 1.00)
&rst
ixpk= 653, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 658, 659, 660,
&end
#
# 42 VAL HN 43 GLN HN 4.50 (#peak 656 #SUP 0.56 #QF 0.56)
&rst
ixpk= 656, nxpk= 0, iat= 648, 664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 VAL HN 77 ILE HB 4.45 (#peak 649 #SUP 0.99 #QF 0.99)
&rst
ixpk= 649, nxpk= 0, iat= 648,1214, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 42 VAL HN 77 ILE QG2 4.38 (#peak 684 #SUP 0.97 #QF 0.97)
&rst
ixpk= 684, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1216,1217,1218,
&end
#
# 42 VAL HN 78 ILE HA 4.72 (#peak 646 #SUP 0.91 #QF 0.91)
&rst
ixpk= 646, nxpk= 0, iat= 648,1231, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 42 VAL HN 78 ILE HB 4.12 (#peak 650 #SUP 0.99 #QF 0.99)
&rst
ixpk= 650, nxpk= 0, iat= 648,1233, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 42 VAL HN 78 ILE HN 3.92 (#peak 323 #SUP 1.00)
&rst
ixpk= 323, nxpk= 0, iat= 648,1229, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 42 VAL HN 79 GLN HA 4.29 (#peak 645 #SUP 0.97 #QF 0.97)
&rst
ixpk= 645, nxpk= 0, iat= 648,1250, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 42 VAL QG1 43 GLN HN 3.60 (#peak 636 #SUP 0.91 #QF 0.53)
&rst
ixpk= 636, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 654, 655, 656,
&end
#
# 42 VAL QG1 45 VAL HN 4.37 (#peak 801 #SUP 0.79 #QF 0.57)
&rst
ixpk= 801, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 654, 655, 656,
&end
#
# 42 VAL QG1 78 ILE HN 4.50 (#peak 1326 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1326, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 654, 655, 656,
&end
#
# 42 VAL QG2 43 GLN HN 4.13 (#peak 1330 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1330, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 658, 659, 660,
&end
#
# 42 VAL QG2 78 ILE HB 3.42 (#peak 1335 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1335, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 658, 659, 660,
&end
#
# 42 VAL QG2 78 ILE HN 4.36 (#peak 1331 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1331, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 658, 659, 660,
&end
#
# 43 GLN HA 44 GLY HN 3.12 (#peak 622 #SUP 0.90 #QF 0.90)
&rst
ixpk= 622, nxpk= 0, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 43 GLN HA 45 VAL HN 4.21 (#peak 613 #SUP 0.66 #QF 0.66)
&rst
ixpk= 613, nxpk= 0, iat= 666, 688, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 GLN HA 77 ILE QG2 3.45 (#peak 693 #SUP 0.82 #QF 0.82)
&rst
ixpk= 693, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1216,1217,1218,
&end
#
# 43 GLN HB2 43 GLN QE2 3.98 (#peak 643)
&rst
ixpk= 643, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 676, 677,
&end
#
# 43 GLN HB2 44 GLY HN 4.33 (#peak 627 #SUP 1.00)
&rst
ixpk= 627, nxpk= 0, iat= 668, 681, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 43 GLN HB2 77 ILE QG2 4.08 (#peak 1308 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1308, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1216,1217,1218,
&end
#
# 43 GLN HB3 44 GLY HN 4.68 (#peak 626 #SUP 1.00)
&rst
ixpk= 626, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 43 GLN HB3 77 ILE QG2 4.52 (#peak 1307 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1307, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1216,1217,1218,
&end
#
# 43 GLN HE21 74 MET HA 4.29 (#peak 637 #SUP 0.91 #QF 0.91)
&rst
ixpk= 637, nxpk= 0, iat= 676,1173, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 43 GLN HE22 74 MET HA 4.29 (#peak 641 #SUP 0.87 #QF 0.87)
&rst
ixpk= 641, nxpk= 0, iat= 677,1173, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 43 GLN HG2 44 GLY HN 4.70 (#peak 1312 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1312, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 43 GLN HG2 77 ILE QG2 4.27 (#peak 1320 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1320, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1216,1217,1218,
&end
#
# 43 GLN HG3 44 GLY HN 4.70 (#peak 625 #SUP 0.83 #QF 0.83)
&rst
ixpk= 625, nxpk= 0, iat= 672, 681, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 43 GLN HG3 77 ILE QG2 4.27 (#peak 690 #SUP 0.97 #QF 0.97)
&rst
ixpk= 690, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1216,1217,1218,
&end
#
# 43 GLN HN 43 GLN HB2 3.80 (#peak 635 #SUP 0.98 #QF 0.98)
&rst
ixpk= 635, nxpk= 0, iat= 664, 668, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 GLN HN 43 GLN HB3 3.69 (#peak 634 #SUP 0.98 #QF 0.98)
&rst
ixpk= 634, nxpk= 0, iat= 664, 669, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 43 GLN HN 43 GLN QG 4.73 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 671, 672,
&end
#
# 43 GLN QE2 74 MET HB3 5.07 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 676, 677,
&end
#
# 43 GLN QE2 74 MET HG2 4.46 (#peak 640)
&rst
ixpk= 640, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 676, 677,
&end
#
# 43 GLN QG 43 GLN QE2 3.10 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 671, 672,
igr2= 676, 677,
&end
#
# 43 GLN QG 44 GLY HN 3.82 (#peak 625)
&rst
ixpk= 625, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 671, 672,
&end
#
# 43 GLN QG 77 ILE QG2 3.70 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 671, 672,
igr2=1216,1217,1218,
&end
#
# 44 GLY HN 45 VAL HN 3.40 (#peak 612 #SUP 0.98 #QF 0.98)
&rst
ixpk= 612, nxpk= 0, iat= 681, 688, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 44 GLY HN 45 VAL QG1 4.23 (#peak 628 #SUP 0.93 #QF 0.93)
&rst
ixpk= 628, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 694, 695, 696,
&end
#
# 45 VAL HA 45 VAL QG1 3.28 (#peak 1281 #SUP 1.00)
&rst
ixpk= 1281, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 694, 695, 696,
&end
#
# 45 VAL HA 45 VAL QG2 3.25 (#peak 1295 #SUP 1.00)
&rst
ixpk= 1295, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 698, 699, 700,
&end
#
# 45 VAL HA 46 PRO HB2 4.99 (#peak 1268 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1268, nxpk= 0, iat= 690, 711, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 45 VAL HA 46 PRO HD2 3.25 (#peak 1278 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1278, nxpk= 0, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 45 VAL HA 46 PRO HD3 3.01 (#peak 1277 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1277, nxpk= 0, iat= 690, 706, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 45 VAL HA 49 TYR QD 4.67 (#peak 1209 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1209, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 756, 765,
&end
#
# 45 VAL HN 45 VAL HB 3.13 (#peak 616 #SUP 0.97 #QF 0.97)
&rst
ixpk= 616, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 45 VAL HN 45 VAL QG1 3.03 (#peak 618 #SUP 1.00)
&rst
ixpk= 618, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 694, 695, 696,
&end
#
# 45 VAL HN 45 VAL QG2 3.85 (#peak 617 #SUP 0.98 #QF 0.98)
&rst
ixpk= 617, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 698, 699, 700,
&end
#
# 45 VAL HN 46 PRO HD3 4.88 (#peak 620 #SUP 0.98 #QF 0.98)
&rst
ixpk= 620, nxpk= 0, iat= 688, 706, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 45 VAL QG1 46 PRO HD2 4.32 (#peak 1288 #SUP 1.00)
&rst
ixpk= 1288, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 694, 695, 696,
&end
#
# 45 VAL QG1 46 PRO HD3 4.91 (#peak 1286 #SUP 1.00)
&rst
ixpk= 1286, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 694, 695, 696,
&end
#
# 45 VAL QG1 47 GLU- HA 5.46 (#peak 1286 #SUP 1.00)
&rst
ixpk= 1286, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 694, 695, 696,
&end
#
# 45 VAL QG2 46 PRO HD2 3.27 (#peak 1296 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1296, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 698, 699, 700,
&end
#
# 45 VAL QG2 46 PRO HD3 3.55 (#peak 1294 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1294, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 698, 699, 700,
&end
#
# 45 VAL QG2 47 GLU- HA 4.80 (#peak 1248 #SUP 0.46 #QF 0.46)
&rst
ixpk= 1248, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 698, 699, 700,
&end
#
# 45 VAL QG2 49 TYR HB2 3.67 (#peak 1298 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1298, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 698, 699, 700,
&end
#
# 45 VAL QG2 49 TYR HB3 3.67 (#peak 1297 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1297, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 698, 699, 700,
&end
#
# 45 VAL QG2 49 TYR HN 4.11 (#peak 596 #SUP 0.93 #QF 0.93)
&rst
ixpk= 596, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 698, 699, 700,
&end
#
# 45 VAL QG2 49 TYR QB 3.12 (#peak 1298)
&rst
ixpk= 1298, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 698, 699, 700,
igr2= 752, 753,
&end
#
# 45 VAL QG2 49 TYR QD 3.40 (#peak 1217 #SUP 1.00)
&rst
ixpk= 1217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 698, 699, 700,
igr2= 756, 765,
&end
#
# 45 VAL QG2 49 TYR QE 4.47 (#peak 1293 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 698, 699, 700,
igr2= 758, 763,
&end
#
# 46 PRO HA 46 PRO QG 3.58 (#peak 1259)
&rst
ixpk= 1259, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 708, 709,
&end
#
# 46 PRO HA 47 GLU- HN 2.89 (#peak 607 #SUP 0.95 #QF 0.95)
&rst
ixpk= 607, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 46 PRO HA 47 GLU- QB 4.31 (#peak 1251 #SUP 1.00)
&rst
ixpk= 1251, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 722, 723,
&end
#
# 46 PRO HA 48 GLU- HN 4.81 (#peak 599 #SUP 0.97 #QF 0.97)
&rst
ixpk= 599, nxpk= 0, iat= 714, 733, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 46 PRO HB2 47 GLU- HN 3.93 (#peak 609 #SUP 0.98 #QF 0.98)
&rst
ixpk= 609, nxpk= 0, iat= 711, 718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 46 PRO HB2 48 GLU- HN 4.03 (#peak 605 #SUP 0.86 #QF 0.86)
&rst
ixpk= 605, nxpk= 0, iat= 711, 733, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 46 PRO HB2 49 TYR HN 4.53 (#peak 594 #SUP 0.74 #QF 0.74)
&rst
ixpk= 594, nxpk= 0, iat= 711, 748, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 46 PRO HB2 49 TYR QD 4.13 (#peak 1213 #SUP 1.00)
&rst
ixpk= 1213, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 756, 765,
&end
#
# 46 PRO HB2 49 TYR QE 4.31 (#peak 1226 #SUP 1.00)
&rst
ixpk= 1226, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 758, 763,
&end
#
# 46 PRO HB3 47 GLU- HN 4.84 (#peak 1270 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1270, nxpk= 0, iat= 712, 718, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 46 PRO HB3 48 GLU- HN 4.89 (#peak 1271 #SUP 0.82 #QF 0.42)
&rst
ixpk= 1271, nxpk= 0, iat= 712, 733, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 46 PRO HB3 49 TYR QD 3.80 (#peak 1215 #SUP 1.00)
&rst
ixpk= 1215, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 756, 765,
&end
#
# 46 PRO HB3 49 TYR QE 4.21 (#peak 1228 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1228, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 758, 763,
&end
#
# 46 PRO HD2 46 PRO HB2 4.31 (#peak 1267 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1267, nxpk= 0, iat= 705, 711, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 46 PRO HD2 46 PRO HB3 4.08 (#peak 1269 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1269, nxpk= 0, iat= 705, 712, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 46 PRO HD2 49 TYR QD 3.70 (#peak 1210 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1210, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 756, 765,
&end
#
# 46 PRO HD2 49 TYR QE 3.80 (#peak 1223 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1223, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 758, 763,
&end
#
# 46 PRO HD3 46 PRO HA 4.15 (#peak 1257 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1257, nxpk= 0, iat= 706, 714, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 46 PRO HD3 46 PRO HB2 4.39 (#peak 1266 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1266, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 46 PRO HD3 46 PRO HB3 4.36 (#peak 1275 #SUP 1.00)
&rst
ixpk= 1275, nxpk= 0, iat= 706, 712, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 46 PRO HD3 49 TYR QD 4.12 (#peak 1208 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1208, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 756, 765,
&end
#
# 46 PRO HD3 49 TYR QE 4.59 (#peak 1222 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1222, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 758, 763,
&end
#
# 46 PRO HD3 98 LEU QD1 4.46 (#peak 168 #SUP 0.67 #QF 0.67)
&rst
ixpk= 168, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1554,1555,1556,
&end
#
# 46 PRO QG 49 TYR QD 3.83 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 708, 709,
igr2= 756, 765,
&end
#
# 46 PRO QG 49 TYR QE 3.55 (#peak 1227)
&rst
ixpk= 1227, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 708, 709,
igr2= 758, 763,
&end
#
# 46 PRO QG 98 LEU QD1 4.21 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 708, 709,
igr2=1554,1555,1556,
&end
#
# 47 GLU- HA 47 GLU- QB 2.90 (#peak 1247 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1247, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 722, 723,
&end
#
# 47 GLU- HA 47 GLU- QG 3.67 (#peak 1246 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1246, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 725, 726,
&end
#
# 47 GLU- HA 49 TYR HN 4.19 (#peak 912 #SUP 0.99 #QF 0.99)
&rst
ixpk= 912, nxpk= 0, iat= 720, 748, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 GLU- HN 47 GLU- QB 3.09 (#peak 611 #SUP 0.97 #QF 0.97)
&rst
ixpk= 611, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 722, 723,
&end
#
# 47 GLU- HN 47 GLU- QG 4.01 (#peak 610 #SUP 0.98 #QF 0.98)
&rst
ixpk= 610, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 725, 726,
&end
#
# 47 GLU- HN 48 GLU- HN 3.67 (#peak 597 #SUP 0.98 #QF 0.98)
&rst
ixpk= 597, nxpk= 0, iat= 718, 733, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 47 GLU- QB 48 GLU- HN 3.89 (#peak 603 #SUP 1.00)
&rst
ixpk= 603, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 722, 723,
&end
#
# 47 GLU- QG 48 GLU- HN 4.53 (#peak 602 #SUP 1.00)
&rst
ixpk= 602, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 725, 726,
&end
#
# 48 GLU- HG2 49 TYR QD 4.58 (#peak 1216 #SUP 0.80 #QF 0.47)
&rst
ixpk= 1216, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 756, 765,
&end
#
# 48 GLU- HG2 49 TYR QE 5.40 (#peak 1229 #SUP 0.88 #QF 0.57)
&rst
ixpk= 1229, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 758, 763,
&end
#
# 48 GLU- HG3 49 TYR QD 4.58 (#peak 1216 #SUP 0.80 #QF 0.47)
&rst
ixpk= 1216, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 756, 765,
&end
#
# 48 GLU- HG3 49 TYR QE 5.40 (#peak 1229 #SUP 0.88 #QF 0.57)
&rst
ixpk= 1229, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 758, 763,
&end
#
# 48 GLU- HN 48 GLU- HB2 4.02 (#peak 1235 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1235, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 GLU- HN 48 GLU- HB3 4.02 (#peak 604 #SUP 0.62 #QF 0.47)
&rst
ixpk= 604, nxpk= 0, iat= 733, 738, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 GLU- HN 48 GLU- QB 3.23 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 737, 738,
&end
#
# 48 GLU- HN 48 GLU- QG 3.54 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 740, 741,
&end
#
# 48 GLU- HN 49 TYR HN 3.44 (#peak 586 #SUP 0.98 #QF 0.98)
&rst
ixpk= 586, nxpk= 0, iat= 733, 748, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 48 GLU- QG 49 TYR HN 3.61 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 740, 741,
&end
#
# 48 GLU- QG 49 TYR QD 3.93 (#peak 1216)
&rst
ixpk= 1216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 740, 741,
igr2= 756, 765,
&end
#
# 48 GLU- QG 49 TYR QE 4.67 (#peak 1229)
&rst
ixpk= 1229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 740, 741,
igr2= 758, 763,
&end
#
# 49 TYR HA 49 TYR QD 3.88 (#peak 1207 #SUP 1.00)
&rst
ixpk= 1207, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 756, 765,
&end
#
# 49 TYR HB2 50 ASP- HN 5.20 (#peak 584 #SUP 0.97 #QF 0.97)
&rst
ixpk= 584, nxpk= 0, iat= 752, 769, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 49 TYR HB2 54 ILE QD1 3.76 (#peak 1203 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1203, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 859, 860, 861,
&end
#
# 49 TYR HB2 96 LEU QD1 4.70 (#peak 184 #SUP 0.81 #QF 0.81)
&rst
ixpk= 184, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1528,1529,1530,
&end
#
# 49 TYR HB2 96 LEU QD2 5.03 (#peak 197 #SUP 0.99 #QF 0.99)
&rst
ixpk= 197, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1532,1533,1534,
&end
#
# 49 TYR HB3 50 ASP- HN 5.20 (#peak 583 #SUP 0.90 #QF 0.90)
&rst
ixpk= 583, nxpk= 0, iat= 753, 769, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 49 TYR HB3 54 ILE QD1 3.76 (#peak 1101 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1101, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 859, 860, 861,
&end
#
# 49 TYR HB3 96 LEU QD1 4.70 (#peak 183 #SUP 0.88 #QF 0.62)
&rst
ixpk= 183, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1528,1529,1530,
&end
#
# 49 TYR HB3 96 LEU QD2 5.03 (#peak 196 #SUP 0.97 #QF 0.97)
&rst
ixpk= 196, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1532,1533,1534,
&end
#
# 49 TYR HN 49 TYR HB2 3.63 (#peak 593 #SUP 0.96 #QF 0.96)
&rst
ixpk= 593, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 49 TYR HN 49 TYR HB3 3.63 (#peak 592 #SUP 0.99 #QF 0.99)
&rst
ixpk= 592, nxpk= 0, iat= 748, 753, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 49 TYR HN 49 TYR QB 3.03 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 752, 753,
&end
#
# 49 TYR HN 49 TYR QD 3.71 (#peak 587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 587, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 756, 765,
&end
#
# 49 TYR HN 49 TYR QE 4.94 (#peak 588 #SUP 1.00)
&rst
ixpk= 588, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 758, 763,
&end
#
# 49 TYR QB 50 ASP- HN 4.46 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 752, 753,
&end
#
# 49 TYR QB 51 LEU QD2 4.31 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 752, 753,
igr2= 794, 795, 796,
&end
#
# 49 TYR QB 54 ILE QD1 3.14 (#peak 1101)
&rst
ixpk= 1101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 752, 753,
igr2= 859, 860, 861,
&end
#
# 49 TYR QB 96 LEU QD1 4.06 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 752, 753,
igr2=1528,1529,1530,
&end
#
# 49 TYR QB 96 LEU QD2 4.31 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 752, 753,
igr2=1532,1533,1534,
&end
#
# 49 TYR QD 54 ILE QD1 4.48 (#peak 1218 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1218, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 756, 765,
igr2= 859, 860, 861,
&end
#
# 49 TYR QD 96 LEU QD1 4.34 (#peak 1219 #SUP 0.99 #QF 0.93)
&rst
ixpk= 1219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 756, 765,
igr2=1528,1529,1530,
&end
#
# 49 TYR QD 96 LEU QD2 4.16 (#peak 1219 #SUP 0.99 #QF 0.93)
&rst
ixpk= 1219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 756, 765,
igr2=1532,1533,1534,
&end
#
# 49 TYR QD 98 LEU QD2 5.05 (#peak 162 #SUP 0.99 #QF 0.99)
&rst
ixpk= 162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 756, 765,
igr2=1558,1559,1560,
&end
#
# 49 TYR QE 96 LEU HA 4.55 (#peak 1221 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1221, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 758, 763,
&end
#
# 49 TYR QE 96 LEU HB3 4.28 (#peak 1230 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1230, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 758, 763,
&end
#
# 49 TYR QE 96 LEU QD1 4.27 (#peak 1233 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 758, 763,
igr2=1528,1529,1530,
&end
#
# 49 TYR QE 96 LEU QD2 3.92 (#peak 193 #SUP 0.97 #QF 0.97)
&rst
ixpk= 193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 758, 763,
igr2=1532,1533,1534,
&end
#
# 49 TYR QE 98 LEU QD1 4.43 (#peak 166 #SUP 0.99 #QF 0.99)
&rst
ixpk= 166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 758, 763,
igr2=1554,1555,1556,
&end
#
# 49 TYR QE 98 LEU QD2 3.59 (#peak 1232 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1232, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 758, 763,
igr2=1558,1559,1560,
&end
#
# 50 ASP- HA 51 LEU HB2 4.63 (#peak 1171 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1171, nxpk= 0, iat= 771, 785, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 50 ASP- HA 51 LEU HN 2.90 (#peak 574 #SUP 0.78 #QF 0.78)
&rst
ixpk= 574, nxpk= 0, iat= 771, 781, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 50 ASP- HA 52 LYS+ HN 4.31 (#peak 562 #SUP 0.88 #QF 0.88)
&rst
ixpk= 562, nxpk= 0, iat= 771, 800, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 50 ASP- HB2 51 LEU HN 4.62 (#peak 577 #SUP 1.00)
&rst
ixpk= 577, nxpk= 0, iat= 773, 781, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 50 ASP- HB2 53 ARG+ HB2 4.40 (#peak 1187 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1187, nxpk= 0, iat= 773, 826, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 ASP- HB2 53 ARG+ HN 4.65 (#peak 553 #SUP 0.99 #QF 0.99)
&rst
ixpk= 553, nxpk= 0, iat= 773, 822, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 50 ASP- HB3 51 LEU HN 4.62 (#peak 576 #SUP 1.00)
&rst
ixpk= 576, nxpk= 0, iat= 774, 781, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 50 ASP- HB3 53 ARG+ HB2 4.40 (#peak 1186 #SUP 1.00)
&rst
ixpk= 1186, nxpk= 0, iat= 774, 826, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 ASP- HB3 53 ARG+ HN 4.65 (#peak 552 #SUP 0.96 #QF 0.96)
&rst
ixpk= 552, nxpk= 0, iat= 774, 822, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 50 ASP- HN 51 LEU HN 4.76 (#peak 572 #SUP 0.87 #QF 0.87)
&rst
ixpk= 572, nxpk= 0, iat= 769, 781, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 ASP- HN 53 ARG+ HN 5.18 (#peak 548 #SUP 0.96 #QF 0.21)
&rst
ixpk= 548, nxpk= 0, iat= 769, 822, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 50 ASP- QB 53 ARG+ HB2 3.76 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 773, 774,
&end
#
# 50 ASP- QB 53 ARG+ HB3 3.85 (#peak 1109)
&rst
ixpk= 1109, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 773, 774,
&end
#
# 50 ASP- QB 53 ARG+ HN 3.88 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 773, 774,
&end
#
# 50 ASP- QB 54 ILE HN 4.65 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 773, 774,
&end
#
# 51 LEU HA 51 LEU HG 3.89 (#peak 1163 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1163, nxpk= 0, iat= 783, 788, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 51 LEU HA 51 LEU QD1 3.87 (#peak 1156 #SUP 1.00)
&rst
ixpk= 1156, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 790, 791, 792,
&end
#
# 51 LEU HA 51 LEU QD2 3.05 (#peak 1166 #SUP 0.99 #QF 0.97)
&rst
ixpk= 1166, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 794, 795, 796,
&end
#
# 51 LEU HA 53 ARG+ HN 4.46 (#peak 1161 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1161, nxpk= 0, iat= 783, 822, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 51 LEU HA 54 ILE HB 3.21 (#peak 1162 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1162, nxpk= 0, iat= 783, 850, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 51 LEU HA 54 ILE HG12 4.47 (#peak 1165 #SUP 1.00)
&rst
ixpk= 1165, nxpk= 0, iat= 783, 856, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 51 LEU HA 54 ILE HG13 4.47 (#peak 1082 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1082, nxpk= 0, iat= 783, 857, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 51 LEU HA 54 ILE HN 3.83 (#peak 536 #SUP 0.98 #QF 0.98)
&rst
ixpk= 536, nxpk= 0, iat= 783, 846, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 51 LEU HA 54 ILE QG2 4.37 (#peak 1098 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1098, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 852, 853, 854,
&end
#
# 51 LEU HA 55 LEU HN 4.65 (#peak 1158 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1158, nxpk= 0, iat= 783, 865, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 LEU HA 55 LEU QD2 4.93 (#peak 1167 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1167, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 878, 879, 880,
&end
#
# 51 LEU HA 78 ILE QD1 3.98 (#peak 670 #SUP 0.75 #QF 0.59)
&rst
ixpk= 670, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1242,1243,1244,
&end
#
# 51 LEU HB2 52 LYS+ HN 3.20 (#peak 564 #SUP 0.63 #QF 0.63)
&rst
ixpk= 564, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HB3 51 LEU QD1 3.35 (#peak 1438 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1438, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 790, 791, 792,
&end
#
# 51 LEU HB3 51 LEU QD2 3.23 (#peak 1439 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1439, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 794, 795, 796,
&end
#
# 51 LEU HB3 52 LYS+ HN 3.90 (#peak 1174 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1174, nxpk= 0, iat= 786, 800, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 51 LEU HB3 78 ILE QD1 3.28 (#peak 1705 #SUP 0.23 #QF 0.23)
&rst
ixpk= 1705, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1242,1243,1244,
&end
#
# 51 LEU HG 52 LYS+ HN 4.80 (#peak 1177 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1177, nxpk= 0, iat= 788, 800, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 51 LEU HN 51 LEU HB2 3.26 (#peak 578 #SUP 1.00 #QF 0.97)
&rst
ixpk= 578, nxpk= 0, iat= 781, 785, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 51 LEU HN 51 LEU HB3 3.79 (#peak 579 #SUP 1.00)
&rst
ixpk= 579, nxpk= 0, iat= 781, 786, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 51 LEU HN 51 LEU HG 3.49 (#peak 578 #SUP 1.00 #QF 0.97)
&rst
ixpk= 578, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 51 LEU HN 51 LEU QD1 4.10 (#peak 1151 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1151, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 790, 791, 792,
&end
#
# 51 LEU HN 51 LEU QD2 3.95 (#peak 580 #SUP 0.99 #QF 0.99)
&rst
ixpk= 580, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 794, 795, 796,
&end
#
# 51 LEU HN 52 LYS+ HN 3.47 (#peak 559 #SUP 0.99 #QF 0.99)
&rst
ixpk= 559, nxpk= 0, iat= 781, 800, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 51 LEU HN 53 ARG+ HN 4.94 (#peak 547 #SUP 1.00)
&rst
ixpk= 547, nxpk= 0, iat= 781, 822, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 LEU QD1 52 LYS+ HN 4.57 (#peak 568 #SUP 0.91 #QF 0.91)
&rst
ixpk= 568, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 790, 791, 792,
&end
#
# 51 LEU QD1 77 ILE HA 4.81 (#peak 1154 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1154, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 790, 791, 792,
&end
#
# 51 LEU QD1 77 ILE HN 5.21 (#peak 1152 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1152, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 790, 791, 792,
&end
#
# 51 LEU QD1 78 ILE HA 5.25 (#peak 1155 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1155, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 790, 791, 792,
&end
#
# 51 LEU QD1 78 ILE HN 5.26 (#peak 1153 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1153, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 790, 791, 792,
&end
#
# 51 LEU QD2 77 ILE HA 4.96 (#peak 1181 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1181, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 794, 795, 796,
&end
#
# 51 LEU QD2 78 ILE HN 5.07 (#peak 1180 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1180, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 794, 795, 796,
&end
#
# 52 LYS+ HA 52 LYS+ HG2 3.94 (#peak 1129 #SUP 0.96 #QF 0.62)
&rst
ixpk= 1129, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 52 LYS+ HA 52 LYS+ HG3 3.94 (#peak 1141 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1141, nxpk= 0, iat= 802, 808, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 52 LYS+ HA 52 LYS+ QG 3.28 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 807, 808,
&end
#
# 52 LYS+ HA 55 LEU HB2 4.00 (#peak 1048 #SUP 0.92 #QF 0.88)
&rst
ixpk= 1048, nxpk= 0, iat= 802, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 LYS+ HA 55 LEU HB3 5.33 (#peak 1049 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1049, nxpk= 0, iat= 802, 870, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 52 LYS+ HA 55 LEU HG 4.65 (#peak 1057 #SUP 0.99 #QF 0.64)
&rst
ixpk= 1057, nxpk= 0, iat= 802, 872, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 52 LYS+ HA 55 LEU HN 3.85 (#peak 527 #SUP 0.98 #QF 0.98)
&rst
ixpk= 527, nxpk= 0, iat= 802, 865, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 52 LYS+ HA 55 LEU QD1 4.18 (#peak 1130 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1130, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 874, 875, 876,
&end
#
# 52 LYS+ HA 68 ILE QD1 3.24 (#peak 1131 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1131, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1086,1087,1088,
&end
#
# 52 LYS+ HB2 53 ARG+ HN 3.89 (#peak 556 #SUP 0.95 #QF 0.95)
&rst
ixpk= 556, nxpk= 0, iat= 804, 822, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 52 LYS+ HB3 53 ARG+ HN 3.89 (#peak 1136 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1136, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 52 LYS+ HN 52 LYS+ HB2 3.66 (#peak 1134 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1134, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 52 LYS+ HN 52 LYS+ HB3 3.66 (#peak 565 #SUP 0.99 #QF 0.99)
&rst
ixpk= 565, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 52 LYS+ HN 52 LYS+ HG2 3.95 (#peak 567 #SUP 1.00)
&rst
ixpk= 567, nxpk= 0, iat= 800, 807, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 LYS+ HN 52 LYS+ HG3 3.95 (#peak 566 #SUP 1.00)
&rst
ixpk= 566, nxpk= 0, iat= 800, 808, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 LYS+ HN 52 LYS+ QB 3.03 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 804, 805,
&end
#
# 52 LYS+ HN 52 LYS+ QD 4.64 (#peak 926 #SUP 0.59 #QF 0.59)
&rst
ixpk= 926, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 810, 811,
&end
#
# 52 LYS+ HN 52 LYS+ QG 3.23 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 807, 808,
&end
#
# 52 LYS+ HN 53 ARG+ HN 3.23 (#peak 545 #SUP 0.99 #QF 0.99)
&rst
ixpk= 545, nxpk= 0, iat= 800, 822, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 52 LYS+ HN 54 ILE HN 4.42 (#peak 561 #SUP 0.92 #QF 0.92)
&rst
ixpk= 561, nxpk= 0, iat= 800, 846, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 52 LYS+ HN 55 LEU QD2 5.32 (#peak 570 #SUP 0.96 #QF 0.96)
&rst
ixpk= 570, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 878, 879, 880,
&end
#
# 52 LYS+ HN 68 ILE QD1 4.08 (#peak 569 #SUP 0.97 #QF 0.97)
&rst
ixpk= 569, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1086,1087,1088,
&end
#
# 52 LYS+ QG 53 ARG+ HN 4.89 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 807, 808,
&end
#
# 53 ARG+ HA 53 ARG+ HD2 4.45 (#peak 1694 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1694, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 53 ARG+ HA 53 ARG+ HD3 4.45 (#peak 1693 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1693, nxpk= 0, iat= 824, 833, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 53 ARG+ HA 53 ARG+ HG2 3.95 (#peak 1114 #SUP 1.00)
&rst
ixpk= 1114, nxpk= 0, iat= 824, 829, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 53 ARG+ HA 53 ARG+ HG3 3.95 (#peak 1115 #SUP 1.00)
&rst
ixpk= 1115, nxpk= 0, iat= 824, 830, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 53 ARG+ HA 56 LYS+ HN 3.95 (#peak 515 #SUP 0.93 #QF 0.93)
&rst
ixpk= 515, nxpk= 0, iat= 824, 884, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 53 ARG+ HA 56 LYS+ QB 3.35 (#peak 1026 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1026, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 888, 889,
&end
#
# 53 ARG+ HA 56 LYS+ QG 4.58 (#peak 1035)
&rst
ixpk= 1035, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 891, 892,
&end
#
# 53 ARG+ HB2 53 ARG+ HD2 3.81 (#peak 1690 #SUP 1.00)
&rst
ixpk= 1690, nxpk= 0, iat= 826, 832, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 53 ARG+ HB2 53 ARG+ HD3 3.81 (#peak 1689 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1689, nxpk= 0, iat= 826, 833, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 53 ARG+ HB2 54 ILE HN 4.15 (#peak 1104 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1104, nxpk= 0, iat= 826, 846, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 53 ARG+ HB3 53 ARG+ QD 3.58 (#peak 1691)
&rst
ixpk= 1691, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 832, 833,
&end
#
# 53 ARG+ HB3 54 ILE HA 4.92 (#peak 1642 #SUP 0.96 #QF 0.83)
&rst
ixpk= 1642, nxpk= 0, iat= 827, 848, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 53 ARG+ HB3 54 ILE HN 3.62 (#peak 539 #SUP 0.93 #QF 0.93)
&rst
ixpk= 539, nxpk= 0, iat= 827, 846, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 ARG+ HN 53 ARG+ HB2 3.15 (#peak 554 #SUP 0.99 #QF 0.99)
&rst
ixpk= 554, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 53 ARG+ HN 53 ARG+ HB3 3.21 (#peak 555 #SUP 0.79 #QF 0.79)
&rst
ixpk= 555, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 53 ARG+ HN 53 ARG+ HD2 5.50 (#peak 551 #SUP 0.99 #QF 0.98)
&rst
ixpk= 551, nxpk= 0, iat= 822, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ARG+ HN 53 ARG+ HD3 5.50 (#peak 1119 #SUP 0.68 #QF 0.50)
&rst
ixpk= 1119, nxpk= 0, iat= 822, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ARG+ HN 53 ARG+ HG2 4.85 (#peak 1112 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1112, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 53 ARG+ HN 53 ARG+ HG3 4.85 (#peak 557 #SUP 0.94 #QF 0.94)
&rst
ixpk= 557, nxpk= 0, iat= 822, 830, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 53 ARG+ HN 53 ARG+ QD 4.66 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 832, 833,
&end
#
# 53 ARG+ HN 53 ARG+ QG 4.18 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 829, 830,
&end
#
# 53 ARG+ HN 54 ILE HB 5.41 (#peak 1074 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1074, nxpk= 0, iat= 822, 850, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 53 ARG+ HN 54 ILE HN 3.32 (#peak 546 #SUP 0.97 #QF 0.97)
&rst
ixpk= 546, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 53 ARG+ HN 54 ILE QD1 5.50 (#peak 558 #SUP 0.93 #QF 0.93)
&rst
ixpk= 558, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 859, 860, 861,
&end
#
# 53 ARG+ HN 54 ILE QG1 4.53 (#peak 1080)
&rst
ixpk= 1080, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 856, 857,
&end
#
# 53 ARG+ HN 55 LEU HN 5.38 (#peak 548 #SUP 0.96 #QF 0.21)
&rst
ixpk= 548, nxpk= 0, iat= 822, 865, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 53 ARG+ QD 56 LYS+ HN 5.34 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 832, 833,
&end
#
# 53 ARG+ QD 56 LYS+ QB 4.78 (#peak 1030)
&rst
ixpk= 1030, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 832, 833,
igr2= 888, 889,
&end
#
# 53 ARG+ QD 57 VAL QQG 4.44 (#peak 1121)
&rst
ixpk= 1121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 832, 833,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 53 ARG+ QG 57 VAL HN 4.37 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 829, 830,
&end
#
# 53 ARG+ QG 57 VAL QQG 3.70 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 829, 830,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 54 ILE HA 54 ILE HG12 3.29 (#peak 1644 #SUP 0.90 #QF 0.86)
&rst
ixpk= 1644, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 54 ILE HA 54 ILE HG13 3.29 (#peak 1643 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1643, nxpk= 0, iat= 848, 857, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 54 ILE HA 54 ILE QD1 4.00 (#peak 1645 #SUP 1.00)
&rst
ixpk= 1645, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 859, 860, 861,
&end
#
# 54 ILE HA 54 ILE QG2 3.20 (#peak 1097 #SUP 1.00)
&rst
ixpk= 1097, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 852, 853, 854,
&end
#
# 54 ILE HA 56 LYS+ HN 4.75 (#peak 1641 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1641, nxpk= 0, iat= 848, 884, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 54 ILE HA 57 VAL HB 4.82 (#peak 1010 #SUP 0.82 #QF 0.52)
&rst
ixpk= 1010, nxpk= 0, iat= 848, 910, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 54 ILE HA 57 VAL HN 4.02 (#peak 1639 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1639, nxpk= 0, iat= 848, 906, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 54 ILE HA 57 VAL QQG 3.56 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 54 ILE HA 58 LEU HN 4.90 (#peak 1637 #SUP 0.96 #QF 0.89)
&rst
ixpk= 1637, nxpk= 0, iat= 848, 922, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 54 ILE HA 91 PHE HZ 3.96 (#peak 1640 #SUP 1.00 #QF 0.94)
&rst
ixpk= 1640, nxpk= 0, iat= 848,1447, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 ILE HA 91 PHE QE 4.51 (#peak 378 #SUP 0.99 #QF 0.99)
&rst
ixpk= 378, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1445,1449,
&end
#
# 54 ILE HA 92 MET QE 5.04 (#peak 335 #SUP 0.61 #QF 0.61)
&rst
ixpk= 335, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1466,1467,1468,
&end
#
# 54 ILE HB 54 ILE QD1 2.93 (#peak 1652 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1652, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 859, 860, 861,
&end
#
# 54 ILE HB 55 LEU HN 3.20 (#peak 529 #SUP 0.98 #QF 0.66)
&rst
ixpk= 529, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 54 ILE HB 56 LYS+ HN 5.50 (#peak 1074 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1074, nxpk= 0, iat= 850, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ILE HB 91 PHE QE 5.14 (#peak 1075 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1075, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1445,1449,
&end
#
# 54 ILE HG12 55 LEU HN 5.14 (#peak 1086 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1086, nxpk= 0, iat= 856, 865, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 54 ILE HG13 55 LEU HN 5.14 (#peak 1078 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1078, nxpk= 0, iat= 857, 865, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 54 ILE HN 54 ILE HB 3.26 (#peak 540 #SUP 0.86 #QF 0.86)
&rst
ixpk= 540, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 54 ILE HN 54 ILE HG12 3.67 (#peak 541 #SUP 0.99 #QF 0.99)
&rst
ixpk= 541, nxpk= 0, iat= 846, 856, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 54 ILE HN 54 ILE HG13 3.67 (#peak 544 #SUP 0.99 #QF 0.99)
&rst
ixpk= 544, nxpk= 0, iat= 846, 857, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 54 ILE HN 54 ILE QD1 3.78 (#peak 542 #SUP 0.99 #QF 0.99)
&rst
ixpk= 542, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 859, 860, 861,
&end
#
# 54 ILE HN 54 ILE QG1 2.89 (#peak 544)
&rst
ixpk= 544, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 856, 857,
&end
#
# 54 ILE HN 54 ILE QG2 3.83 (#peak 1095 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1095, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 852, 853, 854,
&end
#
# 54 ILE HN 55 LEU HN 3.47 (#peak 538 #SUP 0.97 #QF 0.97)
&rst
ixpk= 538, nxpk= 0, iat= 846, 865, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 54 ILE HN 55 LEU QD2 4.68 (#peak 543 #SUP 0.99 #QF 0.99)
&rst
ixpk= 543, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 878, 879, 880,
&end
#
# 54 ILE QD1 91 PHE HZ 4.92 (#peak 380 #SUP 1.00)
&rst
ixpk= 380, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 859, 860, 861,
&end
#
# 54 ILE QD1 91 PHE QE 3.65 (#peak 1100 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 859, 860, 861,
igr2=1445,1449,
&end
#
# 54 ILE QG1 55 LEU HN 4.43 (#peak 1078)
&rst
ixpk= 1078, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 856, 857,
&end
#
# 54 ILE QG1 91 PHE HZ 4.43 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 856, 857,
&end
#
# 54 ILE QG1 91 PHE QE 4.04 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 856, 857,
igr2=1445,1449,
&end
#
# 54 ILE QG2 54 ILE HG12 3.36 (#peak 1648 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1648, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 852, 853, 854,
&end
#
# 54 ILE QG2 54 ILE HG13 3.36 (#peak 1649 #SUP 1.00)
&rst
ixpk= 1649, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 852, 853, 854,
&end
#
# 54 ILE QG2 54 ILE QG1 2.88 (#peak 1648)
&rst
ixpk= 1648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 852, 853, 854,
igr2= 856, 857,
&end
#
# 54 ILE QG2 55 LEU HN 4.00 (#peak 1094 #SUP 0.89 #QF 0.85)
&rst
ixpk= 1094, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 852, 853, 854,
&end
#
# 54 ILE QG2 58 LEU HB2 4.69 (#peak 961 #SUP 0.96 #QF 0.74)
&rst
ixpk= 961, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 852, 853, 854,
&end
#
# 54 ILE QG2 58 LEU HG 3.45 (#peak 1648 #SUP 0.99 #QF 0.98)
&rst
ixpk= 1648, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 852, 853, 854,
&end
#
# 54 ILE QG2 58 LEU HN 4.12 (#peak 497 #SUP 0.77 #QF 0.77)
&rst
ixpk= 497, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 852, 853, 854,
&end
#
# 54 ILE QG2 58 LEU QD1 2.97 (#peak 998 #SUP 0.71 #QF 0.52)
&rst
ixpk= 998, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 852, 853, 854,
igr2= 931, 932, 933,
&end
#
# 54 ILE QG2 58 LEU QD2 4.04 (#peak 999 #SUP 0.86 #QF 0.62)
&rst
ixpk= 999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 852, 853, 854,
igr2= 935, 936, 937,
&end
#
# 54 ILE QG2 91 PHE QE 3.33 (#peak 1096 #SUP 0.98 #QF 0.91)
&rst
ixpk= 1096, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 852, 853, 854,
igr2=1445,1449,
&end
#
# 55 LEU HA 55 LEU HG 4.15 (#peak 1056 #SUP 1.00)
&rst
ixpk= 1056, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 55 LEU HA 55 LEU QD2 3.00 (#peak 1064 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1064, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 878, 879, 880,
&end
#
# 55 LEU HA 58 LEU HB2 4.00 (#peak 955 #SUP 0.71 #QF 0.71)
&rst
ixpk= 955, nxpk= 0, iat= 867, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 LEU HA 58 LEU QD1 3.69 (#peak 990 #SUP 0.58 #QF 0.58)
&rst
ixpk= 990, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 931, 932, 933,
&end
#
# 55 LEU HB2 55 LEU QD1 3.45 (#peak 1051 #SUP 1.00)
&rst
ixpk= 1051, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 874, 875, 876,
&end
#
# 55 LEU HB2 56 LYS+ HA 4.55 (#peak 1048 #SUP 0.92 #QF 0.88)
&rst
ixpk= 1048, nxpk= 0, iat= 869, 886, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 55 LEU HB2 56 LYS+ HN 3.74 (#peak 1046 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1046, nxpk= 0, iat= 869, 884, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 55 LEU HB3 55 LEU QD1 3.46 (#peak 1050 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1050, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 874, 875, 876,
&end
#
# 55 LEU HB3 56 LYS+ HA 5.50 (#peak 1049 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1049, nxpk= 0, iat= 870, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HB3 56 LYS+ HN 4.43 (#peak 520 #SUP 0.91 #QF 0.77)
&rst
ixpk= 520, nxpk= 0, iat= 870, 884, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 55 LEU HN 55 LEU HB2 3.48 (#peak 1045 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1045, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 55 LEU HN 55 LEU HB3 3.58 (#peak 531 #SUP 1.00)
&rst
ixpk= 531, nxpk= 0, iat= 865, 870, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 55 LEU HN 55 LEU HG 4.09 (#peak 530 #SUP 1.00)
&rst
ixpk= 530, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 55 LEU HN 55 LEU QD1 4.20 (#peak 532 #SUP 0.97 #QF 0.97)
&rst
ixpk= 532, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 874, 875, 876,
&end
#
# 55 LEU HN 55 LEU QD2 3.79 (#peak 533 #SUP 1.00 #QF 0.98)
&rst
ixpk= 533, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 878, 879, 880,
&end
#
# 55 LEU HN 56 LYS+ HN 3.50 (#peak 513 #SUP 0.99 #QF 0.99)
&rst
ixpk= 513, nxpk= 0, iat= 865, 884, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 LEU HN 56 LYS+ QB 5.00 (#peak 1024 #SUP 0.90 #QF 0.41)
&rst
ixpk= 1024, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 888, 889,
&end
#
# 55 LEU HN 57 VAL QQG 5.44 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 55 LEU QD1 56 LYS+ HN 4.68 (#peak 1068 #SUP 1.00)
&rst
ixpk= 1068, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 874, 875, 876,
&end
#
# 55 LEU QD1 59 LYS+ HE2 4.17 (#peak 1700 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1700, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 874, 875, 876,
&end
#
# 55 LEU QD1 59 LYS+ HE3 4.17 (#peak 1698 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1698, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 874, 875, 876,
&end
#
# 55 LEU QD1 67 ASN HA 3.52 (#peak 1069 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1069, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 874, 875, 876,
&end
#
# 55 LEU QD1 67 ASN HN 4.45 (#peak 430 #SUP 0.94 #QF 0.94)
&rst
ixpk= 430, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 874, 875, 876,
&end
#
# 55 LEU QD1 68 ILE HN 3.97 (#peak 1066 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1066, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 874, 875, 876,
&end
#
# 55 LEU QD2 56 LYS+ HN 4.67 (#peak 523 #SUP 0.99 #QF 0.99)
&rst
ixpk= 523, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 58 LEU HB2 5.28 (#peak 961 #SUP 0.96 #QF 0.74)
&rst
ixpk= 961, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 59 LYS+ HE2 4.55 (#peak 1699 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1699, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 59 LYS+ HE3 4.55 (#peak 1697 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1697, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 66 GLY HA2 4.42 (#peak 1063 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1063, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 66 GLY HA3 4.42 (#peak 1062 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1062, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 66 GLY QA 3.88 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 878, 879, 880,
igr2=1054,1055,
&end
#
# 55 LEU QD2 67 ASN HA 5.01 (#peak 1061 #SUP 0.89 #QF 0.79)
&rst
ixpk= 1061, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 67 ASN HN 4.15 (#peak 1058 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1058, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 878, 879, 880,
&end
#
# 55 LEU QD2 68 ILE HA 5.37 (#peak 1061 #SUP 0.89 #QF 0.79)
&rst
ixpk= 1061, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 878, 879, 880,
&end
#
# 56 LYS+ HA 56 LYS+ HD2 4.65 (#peak 1041 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1041, nxpk= 0, iat= 886, 894, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 56 LYS+ HA 56 LYS+ HD3 4.65 (#peak 1040 #SUP 0.97 #QF 0.94)
&rst
ixpk= 1040, nxpk= 0, iat= 886, 895, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 56 LYS+ HA 56 LYS+ HG2 3.79 (#peak 1129 #SUP 0.96 #QF 0.62)
&rst
ixpk= 1129, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 56 LYS+ HA 56 LYS+ HG3 3.79 (#peak 1033 #SUP 1.00)
&rst
ixpk= 1033, nxpk= 0, iat= 886, 892, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 56 LYS+ HA 56 LYS+ QB 2.92 (#peak 1132 #SUP 1.00)
&rst
ixpk= 1132, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 888, 889,
&end
#
# 56 LYS+ HA 56 LYS+ QD 3.88 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 894, 895,
&end
#
# 56 LYS+ HA 59 LYS+ HN 4.18 (#peak 487 #SUP 0.55 #QF 0.55)
&rst
ixpk= 487, nxpk= 0, iat= 886, 941, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 LYS+ HA 59 LYS+ QB 3.53 (#peak 1128)
&rst
ixpk= 1128, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 945, 946,
&end
#
# 56 LYS+ HA 59 LYS+ QD 4.61 (#peak 1133 #SUP 0.99 #QF 0.54)
&rst
ixpk= 1133, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 951, 952,
&end
#
# 56 LYS+ HA 60 LYS+ HN 4.81 (#peak 476 #SUP 0.66 #QF 0.66)
&rst
ixpk= 476, nxpk= 0, iat= 886, 963, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 56 LYS+ HG2 56 LYS+ QE 4.09 (#peak 1037 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1037, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 897, 898,
&end
#
# 56 LYS+ HG3 56 LYS+ QE 4.09 (#peak 1036 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1036, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 897, 898,
&end
#
# 56 LYS+ HN 56 LYS+ HG2 4.60 (#peak 520 #SUP 0.91 #QF 0.77)
&rst
ixpk= 520, nxpk= 0, iat= 884, 891, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 LYS+ HN 56 LYS+ HG3 4.60 (#peak 1031 #SUP 1.00)
&rst
ixpk= 1031, nxpk= 0, iat= 884, 892, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 LYS+ HN 56 LYS+ QB 2.88 (#peak 518 #SUP 0.94 #QF 0.94)
&rst
ixpk= 518, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 888, 889,
&end
#
# 56 LYS+ HN 56 LYS+ QD 3.96 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 894, 895,
&end
#
# 56 LYS+ HN 56 LYS+ QG 3.89 (#peak 1031)
&rst
ixpk= 1031, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 891, 892,
&end
#
# 56 LYS+ HN 57 VAL HN 3.38 (#peak 794 #SUP 0.91 #QF 0.91)
&rst
ixpk= 794, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 56 LYS+ HN 57 VAL QQG 4.30 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 56 LYS+ QB 56 LYS+ QE 4.22 (#peak 1029 #SUP 1.00)
&rst
ixpk= 1029, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 888, 889,
igr2= 897, 898,
&end
#
# 56 LYS+ QB 57 VAL HN 3.26 (#peak 510 #SUP 0.98 #QF 0.98)
&rst
ixpk= 510, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 888, 889,
&end
#
# 56 LYS+ QB 57 VAL QQG 3.87 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 888, 889,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 56 LYS+ QB 58 LEU HN 5.40 (#peak 1024 #SUP 0.90 #QF 0.41)
&rst
ixpk= 1024, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 888, 889,
&end
#
# 56 LYS+ QG 56 LYS+ QE 3.45 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 891, 892,
igr2= 897, 898,
&end
#
# 57 VAL HA 57 VAL QG1 3.20 (#peak 1012 #SUP 0.96 #QF 0.90)
&rst
ixpk= 1012, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 912, 913, 914,
&end
#
# 57 VAL HA 57 VAL QG2 3.20 (#peak 1012 #SUP 0.96 #QF 0.90)
&rst
ixpk= 1012, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 916, 917, 918,
&end
#
# 57 VAL HA 57 VAL QQG 2.67 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL HA 60 LYS+ HN 3.98 (#peak 1001 #SUP 0.92 #QF 0.76)
&rst
ixpk= 1001, nxpk= 0, iat= 908, 963, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 VAL HA 60 LYS+ QB 3.33 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 967, 968,
&end
#
# 57 VAL HA 60 LYS+ QG 4.61 (#peak 922 #SUP 0.85 #QF 0.85)
&rst
ixpk= 922, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 970, 971,
&end
#
# 57 VAL HA 61 ASP- HN 3.82 (#peak 1722 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1722, nxpk= 0, iat= 908, 985, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 57 VAL HB 58 LEU HN 4.01 (#peak 501 #SUP 0.96 #QF 0.96)
&rst
ixpk= 501, nxpk= 0, iat= 910, 922, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 57 VAL HB 58 LEU QD2 5.50 (#peak 984 #SUP 0.91 #QF 0.91)
&rst
ixpk= 984, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 935, 936, 937,
&end
#
# 57 VAL HB 91 PHE HZ 4.38 (#peak 383 #SUP 0.92 #QF 0.92)
&rst
ixpk= 383, nxpk= 0, iat= 910,1447, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 VAL HB 91 PHE QE 4.23 (#peak 1008 #SUP 0.99 #QF 0.96)
&rst
ixpk= 1008, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1445,1449,
&end
#
# 57 VAL HN 57 VAL HB 3.17 (#peak 1006 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1006, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 57 VAL HN 57 VAL QQG 2.89 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL HN 58 LEU HB2 5.50 (#peak 953 #SUP 0.76 #QF 0.46)
&rst
ixpk= 953, nxpk= 0, iat= 906, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL HN 58 LEU HN 3.36 (#peak 504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 504, nxpk= 0, iat= 906, 922, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 57 VAL QG1 58 LEU HN 3.89 (#peak 1015 #SUP 0.98 #QF 0.97)
&rst
ixpk= 1015, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 912, 913, 914,
&end
#
# 57 VAL QG1 58 LEU QD2 4.73 (#peak 1021 #SUP 0.95 #QF 0.93)
&rst
ixpk= 1021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 912, 913, 914,
igr2= 935, 936, 937,
&end
#
# 57 VAL QG1 91 PHE HZ 4.05 (#peak 381 #SUP 0.94 #QF 0.63)
&rst
ixpk= 381, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 912, 913, 914,
&end
#
# 57 VAL QG2 58 LEU HN 3.89 (#peak 499 #SUP 0.94 #QF 0.21)
&rst
ixpk= 499, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 916, 917, 918,
&end
#
# 57 VAL QG2 58 LEU QD2 4.73 (#peak 1021 #SUP 0.95 #QF 0.93)
&rst
ixpk= 1021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 916, 917, 918,
igr2= 935, 936, 937,
&end
#
# 57 VAL QG2 91 PHE HZ 4.05 (#peak 381 #SUP 0.94 #QF 0.63)
&rst
ixpk= 381, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 916, 917, 918,
&end
#
# 57 VAL QQG 58 LEU HN 3.31 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL QQG 58 LEU QD2 3.90 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 912, 913, 914, 916, 917, 918,
igr2= 935, 936, 937,
&end
#
# 57 VAL QQG 59 LYS+ HN 4.80 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL QQG 61 ASP- HN 3.66 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL QQG 61 ASP- QB 3.43 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 912, 913, 914, 916, 917, 918,
igr2= 989, 990,
&end
#
# 57 VAL QQG 62 PHE HZ 5.44 (#peak 892)
&rst
ixpk= 892, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL QQG 62 PHE QD 3.64 (#peak 877)
&rst
ixpk= 877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 912, 913, 914, 916, 917, 918,
igr2=1005,1013,
&end
#
# 57 VAL QQG 62 PHE QE 3.75 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 912, 913, 914, 916, 917, 918,
igr2=1007,1011,
&end
#
# 57 VAL QQG 91 PHE HZ 3.54 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 912, 913, 914, 916, 917, 918,
&end
#
# 57 VAL QQG 91 PHE QD 3.99 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 912, 913, 914, 916, 917, 918,
igr2=1443,1451,
&end
#
# 57 VAL QQG 91 PHE QE 3.10 (#peak 1016)
&rst
ixpk= 1016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 912, 913, 914, 916, 917, 918,
igr2=1445,1449,
&end
#
# 58 LEU HA 58 LEU HG 3.79 (#peak 948 #SUP 0.95 #QF 0.95)
&rst
ixpk= 948, nxpk= 0, iat= 924, 929, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 58 LEU HA 58 LEU QD1 4.19 (#peak 991 #SUP 0.92 #QF 0.92)
&rst
ixpk= 991, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 931, 932, 933,
&end
#
# 58 LEU HA 58 LEU QD2 3.04 (#peak 978 #SUP 0.99 #QF 0.99)
&rst
ixpk= 978, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 935, 936, 937,
&end
#
# 58 LEU HA 61 ASP- QB 4.34 (#peak 905)
&rst
ixpk= 905, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 989, 990,
&end
#
# 58 LEU HA 62 PHE HB2 3.58 (#peak 945 #SUP 0.94 #QF 0.94)
&rst
ixpk= 945, nxpk= 0, iat= 924,1001, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 58 LEU HA 62 PHE HN 4.24 (#peak 455 #SUP 0.99 #QF 0.99)
&rst
ixpk= 455, nxpk= 0, iat= 924, 997, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 58 LEU HA 62 PHE QD 3.73 (#peak 944 #SUP 1.00)
&rst
ixpk= 944, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1005,1013,
&end
#
# 58 LEU HA 62 PHE QE 4.57 (#peak 880 #SUP 0.99 #QF 0.99)
&rst
ixpk= 880, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1007,1011,
&end
#
# 58 LEU HA 64 CYS QB 4.80 (#peak 853 #SUP 0.99 #QF 0.99)
&rst
ixpk= 853, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1031,1032,
&end
#
# 58 LEU HB2 58 LEU QD1 3.32 (#peak 994 #SUP 0.99 #QF 0.99)
&rst
ixpk= 994, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 931, 932, 933,
&end
#
# 58 LEU HB2 58 LEU QD2 3.65 (#peak 985 #SUP 0.98 #QF 0.98)
&rst
ixpk= 985, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 935, 936, 937,
&end
#
# 58 LEU HB2 60 LYS+ HN 5.50 (#peak 953 #SUP 0.76 #QF 0.46)
&rst
ixpk= 953, nxpk= 0, iat= 926, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LEU HB2 80 LEU QD2 5.32 (#peak 961 #SUP 0.96 #QF 0.74)
&rst
ixpk= 961, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1278,1279,1280,
&end
#
# 58 LEU HB3 58 LEU QD1 3.60 (#peak 963 #SUP 1.00)
&rst
ixpk= 963, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 931, 932, 933,
&end
#
# 58 LEU HB3 58 LEU QD2 3.80 (#peak 966 #SUP 0.99 #QF 0.99)
&rst
ixpk= 966, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 935, 936, 937,
&end
#
# 58 LEU HB3 59 LYS+ HN 4.10 (#peak 490 #SUP 0.87 #QF 0.87)
&rst
ixpk= 490, nxpk= 0, iat= 927, 941, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 LEU HB3 62 PHE HB2 4.75 (#peak 958 #SUP 0.81 #QF 0.81)
&rst
ixpk= 958, nxpk= 0, iat= 927,1001, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 58 LEU HB3 64 CYS HN 5.18 (#peak 446 #SUP 0.99 #QF 0.99)
&rst
ixpk= 446, nxpk= 0, iat= 927,1027, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 58 LEU HB3 64 CYS QB 3.73 (#peak 850 #SUP 0.95 #QF 0.95)
&rst
ixpk= 850, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1031,1032,
&end
#
# 58 LEU HB3 80 LEU QD2 4.12 (#peak 962 #SUP 0.65 #QF 0.65)
&rst
ixpk= 962, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1278,1279,1280,
&end
#
# 58 LEU HN 58 LEU HB2 3.42 (#peak 500 #SUP 0.99 #QF 0.99)
&rst
ixpk= 500, nxpk= 0, iat= 922, 926, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 58 LEU HN 58 LEU HB3 3.84 (#peak 498 #SUP 0.98 #QF 0.98)
&rst
ixpk= 498, nxpk= 0, iat= 922, 927, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 58 LEU HN 58 LEU HG 3.60 (#peak 967 #SUP 0.99 #QF 0.99)
&rst
ixpk= 967, nxpk= 0, iat= 922, 929, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 58 LEU HN 58 LEU QD1 3.91 (#peak 988 #SUP 0.99 #QF 0.99)
&rst
ixpk= 988, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 931, 932, 933,
&end
#
# 58 LEU HN 58 LEU QD2 3.90 (#peak 973 #SUP 0.98 #QF 0.98)
&rst
ixpk= 973, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 935, 936, 937,
&end
#
# 58 LEU QD1 62 PHE HB2 5.05 (#peak 992 #SUP 0.98 #QF 0.98)
&rst
ixpk= 992, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 931, 932, 933,
&end
#
# 58 LEU QD1 64 CYS QB 4.66 (#peak 848 #SUP 0.84 #QF 0.84)
&rst
ixpk= 848, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 931, 932, 933,
igr2=1031,1032,
&end
#
# 58 LEU QD1 88 VAL QG1 3.45 (#peak 996 #SUP 0.78 #QF 0.51)
&rst
ixpk= 996, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 931, 932, 933,
igr2=1399,1400,1401,
&end
#
# 58 LEU QD1 88 VAL QG2 3.35 (#peak 449 #SUP 0.87 #QF 0.87)
&rst
ixpk= 449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 931, 932, 933,
igr2=1403,1404,1405,
&end
#
# 58 LEU QD1 91 PHE QE 4.65 (#peak 989 #SUP 0.88 #QF 0.88)
&rst
ixpk= 989, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 931, 932, 933,
igr2=1445,1449,
&end
#
# 58 LEU QD1 92 MET QE 4.00 (#peak 338 #SUP 0.84 #QF 0.84)
&rst
ixpk= 338, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 931, 932, 933,
igr2=1466,1467,1468,
&end
#
# 58 LEU QD2 62 PHE HB2 3.91 (#peak 980 #SUP 0.97 #QF 0.59)
&rst
ixpk= 980, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 62 PHE HB3 4.10 (#peak 863 #SUP 0.96 #QF 0.96)
&rst
ixpk= 863, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 62 PHE HZ 4.60 (#peak 890 #SUP 0.99 #QF 0.99)
&rst
ixpk= 890, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 62 PHE QD 3.78 (#peak 976 #SUP 0.99 #QF 0.98)
&rst
ixpk= 976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 935, 936, 937,
igr2=1005,1013,
&end
#
# 58 LEU QD2 62 PHE QE 4.33 (#peak 975 #SUP 0.99 #QF 0.99)
&rst
ixpk= 975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 935, 936, 937,
igr2=1007,1011,
&end
#
# 58 LEU QD2 64 CYS QB 4.40 (#peak 983 #SUP 0.90 #QF 0.90)
&rst
ixpk= 983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 935, 936, 937,
igr2=1031,1032,
&end
#
# 58 LEU QD2 80 LEU QD2 4.21 (#peak 999 #SUP 0.86 #QF 0.62)
&rst
ixpk= 999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 935, 936, 937,
igr2=1278,1279,1280,
&end
#
# 58 LEU QD2 88 VAL HA 3.76 (#peak 979 #SUP 0.99 #QF 0.99)
&rst
ixpk= 979, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 88 VAL QG1 4.26 (#peak 448 #SUP 0.94 #QF 0.94)
&rst
ixpk= 448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 935, 936, 937,
igr2=1399,1400,1401,
&end
#
# 58 LEU QD2 88 VAL QG2 3.11 (#peak 1000 #SUP 0.93 #QF 0.29)
&rst
ixpk= 1000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 935, 936, 937,
igr2=1403,1404,1405,
&end
#
# 58 LEU QD2 91 PHE HB2 3.94 (#peak 982 #SUP 0.98 #QF 0.98)
&rst
ixpk= 982, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 91 PHE HB3 3.94 (#peak 981 #SUP 0.98 #QF 0.98)
&rst
ixpk= 981, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 91 PHE QD 3.92 (#peak 977 #SUP 0.99 #QF 0.99)
&rst
ixpk= 977, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 935, 936, 937,
igr2=1443,1451,
&end
#
# 58 LEU QD2 92 MET HN 5.50 (#peak 974 #SUP 0.94 #QF 0.94)
&rst
ixpk= 974, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 935, 936, 937,
&end
#
# 58 LEU QD2 92 MET QE 4.36 (#peak 337 #SUP 0.98 #QF 0.98)
&rst
ixpk= 337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 935, 936, 937,
igr2=1466,1467,1468,
&end
#
# 59 LYS+ HA 59 LYS+ HG2 3.69 (#peak 1669 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1669, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 59 LYS+ HA 59 LYS+ HG3 3.91 (#peak 1668 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1668, nxpk= 0, iat= 943, 949, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 59 LYS+ HA 63 ALA HN 4.75 (#peak 928 #SUP 0.99 #QF 0.98)
&rst
ixpk= 928, nxpk= 0, iat= 943,1017, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 59 LYS+ HA 64 CYS HN 3.25 (#peak 441 #SUP 0.76 #QF 0.76)
&rst
ixpk= 441, nxpk= 0, iat= 943,1027, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 59 LYS+ HA 64 CYS QB 4.34 (#peak 854 #SUP 0.90 #QF 0.90)
&rst
ixpk= 854, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1031,1032,
&end
#
# 59 LYS+ HB2 60 LYS+ HN 4.12 (#peak 917 #SUP 0.98 #QF 0.39)
&rst
ixpk= 917, nxpk= 0, iat= 945, 963, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 59 LYS+ HB3 60 LYS+ HN 4.12 (#peak 484 #SUP 0.78 #QF 0.78)
&rst
ixpk= 484, nxpk= 0, iat= 946, 963, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 59 LYS+ HG2 64 CYS HN 4.45 (#peak 445 #SUP 0.98 #QF 0.23)
&rst
ixpk= 445, nxpk= 0, iat= 948,1027, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 59 LYS+ HN 59 LYS+ HB2 3.65 (#peak 931 #SUP 0.99 #QF 0.99)
&rst
ixpk= 931, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 59 LYS+ HN 59 LYS+ HB3 3.65 (#peak 492 #SUP 0.99 #QF 0.99)
&rst
ixpk= 492, nxpk= 0, iat= 941, 946, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 59 LYS+ HN 59 LYS+ HG2 4.45 (#peak 940 #SUP 1.00)
&rst
ixpk= 940, nxpk= 0, iat= 941, 948, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 59 LYS+ HN 59 LYS+ HG3 3.48 (#peak 494 #SUP 0.99 #QF 0.99)
&rst
ixpk= 494, nxpk= 0, iat= 941, 949, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 LYS+ HN 59 LYS+ QB 3.04 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 945, 946,
&end
#
# 59 LYS+ HN 59 LYS+ QD 4.45 (#peak 941 #SUP 0.99 #QF 0.99)
&rst
ixpk= 941, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 951, 952,
&end
#
# 59 LYS+ HN 60 LYS+ HN 3.48 (#peak 486 #SUP 0.99 #QF 0.99)
&rst
ixpk= 486, nxpk= 0, iat= 941, 963, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 LYS+ QB 59 LYS+ QE 4.26 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 945, 946,
igr2= 954, 955,
&end
#
# 59 LYS+ QB 60 LYS+ HN 3.35 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 945, 946,
&end
#
# 60 LYS+ HA 60 LYS+ QG 3.31 (#peak 913 #SUP 0.99 #QF 0.99)
&rst
ixpk= 913, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 970, 971,
&end
#
# 60 LYS+ HB2 61 ASP- HN 3.76 (#peak 919 #SUP 0.96 #QF 0.96)
&rst
ixpk= 919, nxpk= 0, iat= 967, 985, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 60 LYS+ HB3 61 ASP- HN 3.76 (#peak 471 #SUP 0.88 #QF 0.72)
&rst
ixpk= 471, nxpk= 0, iat= 968, 985, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 60 LYS+ HN 60 LYS+ QB 3.07 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 967, 968,
&end
#
# 60 LYS+ HN 60 LYS+ QG 4.07 (#peak 483 #SUP 0.99 #QF 0.99)
&rst
ixpk= 483, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 970, 971,
&end
#
# 60 LYS+ HN 61 ASP- HN 3.33 (#peak 462 #SUP 0.97 #QF 0.97)
&rst
ixpk= 462, nxpk= 0, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 60 LYS+ HN 61 ASP- QB 5.03 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 989, 990,
&end
#
# 60 LYS+ QB 60 LYS+ QE 4.03 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 967, 968,
igr2= 976, 977,
&end
#
# 60 LYS+ QB 61 ASP- HN 3.15 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 967, 968,
&end
#
# 60 LYS+ QB 62 PHE HN 4.99 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 967, 968,
&end
#
# 60 LYS+ QG 60 LYS+ QE 3.72 (#peak 923 #SUP 0.85 #QF 0.85)
&rst
ixpk= 923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 970, 971,
igr2= 976, 977,
&end
#
# 60 LYS+ QG 61 ASP- HN 4.27 (#peak 472 #SUP 0.99 #QF 0.99)
&rst
ixpk= 472, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 970, 971,
&end
#
# 61 ASP- HB2 62 PHE HN 4.45 (#peak 459 #SUP 0.99 #QF 0.99)
&rst
ixpk= 459, nxpk= 0, iat= 989, 997, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 61 ASP- HB2 62 PHE QD 4.21 (#peak 874 #SUP 0.96 #QF 0.96)
&rst
ixpk= 874, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1005,1013,
&end
#
# 61 ASP- HB2 62 PHE QE 4.82 (#peak 900 #SUP 1.00)
&rst
ixpk= 900, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1007,1011,
&end
#
# 61 ASP- HB3 62 PHE HN 4.45 (#peak 458 #SUP 0.99 #QF 0.99)
&rst
ixpk= 458, nxpk= 0, iat= 990, 997, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 61 ASP- HB3 62 PHE QD 4.21 (#peak 873 #SUP 0.96 #QF 0.96)
&rst
ixpk= 873, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1005,1013,
&end
#
# 61 ASP- HB3 62 PHE QE 4.82 (#peak 883 #SUP 0.95 #QF 0.95)
&rst
ixpk= 883, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1007,1011,
&end
#
# 61 ASP- HN 61 ASP- HB2 3.72 (#peak 470 #SUP 0.98 #QF 0.98)
&rst
ixpk= 470, nxpk= 0, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 61 ASP- HN 61 ASP- HB3 3.72 (#peak 469 #SUP 0.98 #QF 0.98)
&rst
ixpk= 469, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 61 ASP- HN 61 ASP- QB 3.10 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 989, 990,
&end
#
# 61 ASP- HN 62 PHE HB2 4.96 (#peak 468 #SUP 0.81 #QF 0.81)
&rst
ixpk= 468, nxpk= 0, iat= 985,1001, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 61 ASP- HN 62 PHE HN 3.29 (#peak 463 #SUP 0.99 #QF 0.99)
&rst
ixpk= 463, nxpk= 0, iat= 985, 997, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 61 ASP- HN 62 PHE QD 4.53 (#peak 464 #SUP 0.99 #QF 0.99)
&rst
ixpk= 464, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1005,1013,
&end
#
# 61 ASP- HN 63 ALA HN 4.45 (#peak 447 #SUP 0.95 #QF 0.95)
&rst
ixpk= 447, nxpk= 0, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 61 ASP- QB 62 PHE HN 3.79 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 989, 990,
&end
#
# 61 ASP- QB 62 PHE QD 3.61 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 989, 990,
igr2=1005,1013,
&end
#
# 61 ASP- QB 62 PHE QE 4.15 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 989, 990,
igr2=1007,1011,
&end
#
# 61 ASP- QB 63 ALA HN 5.30 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 989, 990,
&end
#
# 62 PHE HA 62 PHE QE 4.86 (#peak 879 #SUP 0.70 #QF 0.70)
&rst
ixpk= 879, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1007,1011,
&end
#
# 62 PHE HB2 63 ALA HN 4.68 (#peak 44 #SUP 0.89 #QF 0.54)
&rst
ixpk= 44, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 62 PHE HB2 64 CYS HN 5.01 (#peak 443 #SUP 0.70 #QF 0.22)
&rst
ixpk= 443, nxpk= 0, iat=1001,1027, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 62 PHE HB2 64 CYS QB 5.48 (#peak 852 #SUP 0.93 #QF 0.53)
&rst
ixpk= 852, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1031,1032,
&end
#
# 62 PHE HB2 87 LYS+ QD 5.32 (#peak 868 #SUP 0.86 #QF 0.86)
&rst
ixpk= 868, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1381,1382,
&end
#
# 62 PHE HB3 64 CYS HN 4.77 (#peak 443 #SUP 0.70 #QF 0.22)
&rst
ixpk= 443, nxpk= 0, iat=1002,1027, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 62 PHE HB3 64 CYS QB 4.97 (#peak 852 #SUP 0.93 #QF 0.53)
&rst
ixpk= 852, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1031,1032,
&end
#
# 62 PHE HB3 87 LYS+ QD 4.08 (#peak 1038 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1038, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1381,1382,
&end
#
# 62 PHE HN 62 PHE HB2 3.54 (#peak 456 #SUP 0.95 #QF 0.95)
&rst
ixpk= 456, nxpk= 0, iat= 997,1001, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 62 PHE HN 62 PHE HB3 3.60 (#peak 457 #SUP 0.91 #QF 0.91)
&rst
ixpk= 457, nxpk= 0, iat= 997,1002, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 62 PHE HN 62 PHE QD 3.99 (#peak 453 #SUP 0.97 #QF 0.97)
&rst
ixpk= 453, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1005,1013,
&end
#
# 62 PHE HN 63 ALA HA 4.91 (#peak 454 #SUP 0.97 #QF 0.97)
&rst
ixpk= 454, nxpk= 0, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 62 PHE HN 63 ALA HN 3.14 (#peak 448 #SUP 0.99 #QF 0.99)
&rst
ixpk= 448, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 62 PHE HN 63 ALA QB 4.86 (#peak 461 #SUP 0.98 #QF 0.98)
&rst
ixpk= 461, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1021,1022,1023,
&end
#
# 62 PHE HZ 88 VAL HA 4.50 (#peak 427 #SUP 0.85 #QF 0.85)
&rst
ixpk= 427, nxpk= 0, iat=1009,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 PHE HZ 88 VAL QG2 5.50 (#peak 891 #SUP 0.89 #QF 0.89)
&rst
ixpk= 891, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1403,1404,1405,
&end
#
# 62 PHE HZ 91 PHE HA 4.71 (#peak 897 #SUP 0.83 #QF 0.83)
&rst
ixpk= 897, nxpk= 0, iat=1009,1437, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 62 PHE HZ 91 PHE HB2 4.86 (#peak 894 #SUP 0.99 #QF 0.99)
&rst
ixpk= 894, nxpk= 0, iat=1009,1439, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 62 PHE HZ 91 PHE HB3 4.86 (#peak 895 #SUP 0.63 #QF 0.63)
&rst
ixpk= 895, nxpk= 0, iat=1009,1440, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 62 PHE HZ 91 PHE QB 4.26 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1439,1440,
&end
#
# 62 PHE HZ 95 GLN QG 5.45 (#peak 893 #SUP 0.64 #QF 0.64)
&rst
ixpk= 893, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1509,1510,
&end
#
# 62 PHE QD 87 LYS+ HA 4.84 (#peak 870 #SUP 0.74 #QF 0.74)
&rst
ixpk= 870, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1005,1013,
&end
#
# 62 PHE QD 87 LYS+ QB 4.42 (#peak 875)
&rst
ixpk= 875, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1005,1013,
igr2=1375,1376,
&end
#
# 62 PHE QD 87 LYS+ QD 4.53 (#peak 876 #SUP 0.86 #QF 0.86)
&rst
ixpk= 876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1005,1013,
igr2=1381,1382,
&end
#
# 62 PHE QE 80 LEU QD2 5.50 (#peak 888 #SUP 0.39 #QF 0.39)
&rst
ixpk= 888, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1007,1011,
igr2=1278,1279,1280,
&end
#
# 62 PHE QE 87 LYS+ QB 4.64 (#peak 885)
&rst
ixpk= 885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1007,1011,
igr2=1375,1376,
&end
#
# 62 PHE QE 88 VAL QG2 4.89 (#peak 887 #SUP 0.94 #QF 0.94)
&rst
ixpk= 887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1007,1011,
igr2=1403,1404,1405,
&end
#
# 62 PHE QE 91 PHE QB 4.71 (#peak 882)
&rst
ixpk= 882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1007,1011,
igr2=1439,1440,
&end
#
# 63 ALA HA 64 CYS HN 3.30 (#peak 442 #SUP 0.86 #QF 0.86)
&rst
ixpk= 442, nxpk= 0, iat=1019,1027, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 63 ALA HN 63 ALA HA 2.87 (#peak 449 #SUP 0.95 #QF 0.95)
&rst
ixpk= 449, nxpk= 0, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 63 ALA HN 63 ALA QB 3.41 (#peak 860 #SUP 1.00)
&rst
ixpk= 860, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1021,1022,1023,
&end
#
# 63 ALA QB 64 CYS HN 4.63 (#peak 445 #SUP 0.98 #QF 0.23)
&rst
ixpk= 445, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1021,1022,1023,
&end
#
# 64 CYS HA 65 ASN HN 3.49 (#peak 811 #SUP 0.93 #QF 0.93)
&rst
ixpk= 811, nxpk= 0, iat=1029,1038, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 64 CYS HN 64 CYS QB 3.29 (#peak 444 #SUP 0.96 #QF 0.96)
&rst
ixpk= 444, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1031,1032,
&end
#
# 64 CYS HN 65 ASN HN 4.78 (#peak 440 #SUP 1.00)
&rst
ixpk= 440, nxpk= 0, iat=1027,1038, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 64 CYS QB 65 ASN HN 4.45 (#peak 856 #SUP 0.99 #QF 0.99)
&rst
ixpk= 856, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1031,1032,
&end
#
# 64 CYS QB 80 LEU HG 4.48 (#peak 851 #SUP 0.91 #QF 0.91)
&rst
ixpk= 851, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1031,1032,
&end
#
# 64 CYS QB 80 LEU QD1 3.51 (#peak 601 #SUP 0.96 #QF 0.96)
&rst
ixpk= 601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1031,1032,
igr2=1274,1275,1276,
&end
#
# 65 ASN HN 65 ASN HB2 4.17 (#peak 433 #SUP 0.97 #QF 0.97)
&rst
ixpk= 433, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 ASN HN 65 ASN HB3 4.17 (#peak 434 #SUP 0.86 #QF 0.86)
&rst
ixpk= 434, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 ASN HN 65 ASN QB 3.32 (#peak 434)
&rst
ixpk= 434, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1042,1043,
&end
#
# 65 ASN HN 80 LEU HB3 5.50 (#peak 436 #SUP 0.91 #QF 0.91)
&rst
ixpk= 436, nxpk= 0, iat=1038,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASN HN 80 LEU QD1 4.94 (#peak 435 #SUP 0.95 #QF 0.95)
&rst
ixpk= 435, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1274,1275,1276,
&end
#
# 65 ASN HN 81 GLN HB2 4.89 (#peak 437 #SUP 0.98 #QF 0.98)
&rst
ixpk= 437, nxpk= 0, iat=1038,1288, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 65 ASN HN 81 GLN HB3 4.89 (#peak 438 #SUP 0.97 #QF 0.97)
&rst
ixpk= 438, nxpk= 0, iat=1038,1289, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 65 ASN HN 81 GLN HN 4.81 (#peak 439 #SUP 0.98 #QF 0.98)
&rst
ixpk= 439, nxpk= 0, iat=1038,1284, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 65 ASN QB 81 GLN HN 4.74 (#peak 844)
&rst
ixpk= 844, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1042,1043,
&end
#
# 65 ASN QB 81 GLN QB 3.56 (#peak 1188)
&rst
ixpk= 1188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1042,1043,
igr2=1288,1289,
&end
#
# 66 GLY HA2 67 ASN HN 3.29 (#peak 426 #SUP 0.97 #QF 0.97)
&rst
ixpk= 426, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 66 GLY HA2 80 LEU HA 4.17 (#peak 1721 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1721, nxpk= 0, iat=1054,1267, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 66 GLY HA2 80 LEU QD1 3.84 (#peak 599 #SUP 0.89 #QF 0.89)
&rst
ixpk= 599, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1274,1275,1276,
&end
#
# 66 GLY HA3 67 ASN HN 3.29 (#peak 425 #SUP 0.98 #QF 0.98)
&rst
ixpk= 425, nxpk= 0, iat=1055,1059, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 66 GLY HA3 80 LEU HA 4.17 (#peak 581 #SUP 0.93 #QF 0.93)
&rst
ixpk= 581, nxpk= 0, iat=1055,1267, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 66 GLY HA3 80 LEU QD1 3.84 (#peak 598 #SUP 0.91 #QF 0.91)
&rst
ixpk= 598, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1274,1275,1276,
&end
#
# 66 GLY QA 80 LEU HA 3.55 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1054,1055,
&end
#
# 66 GLY QA 80 LEU QD1 3.32 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1054,1055,
igr2=1274,1275,1276,
&end
#
# 66 GLY QA 81 GLN HN 4.29 (#peak 293)
&rst
ixpk= 293, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1054,1055,
&end
#
# 67 ASN HA 68 ILE HN 2.99 (#peak 413 #SUP 1.00 #QF 0.90)
&rst
ixpk= 413, nxpk= 0, iat=1061,1073, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 67 ASN HB2 68 ILE HN 3.98 (#peak 415 #SUP 1.00)
&rst
ixpk= 415, nxpk= 0, iat=1063,1073, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 67 ASN HB3 68 ILE HN 3.98 (#peak 834 #SUP 0.99 #QF 0.99)
&rst
ixpk= 834, nxpk= 0, iat=1064,1073, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 67 ASN HN 67 ASN QB 3.65 (#peak 423)
&rst
ixpk= 423, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1063,1064,
&end
#
# 67 ASN HN 68 ILE HN 4.60 (#peak 419 #SUP 1.00)
&rst
ixpk= 419, nxpk= 0, iat=1059,1073, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 67 ASN HN 68 ILE QG1 5.08 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1083,1084,
&end
#
# 67 ASN HN 78 ILE QG2 4.29 (#peak 432 #SUP 0.69 #QF 0.69)
&rst
ixpk= 432, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1235,1236,1237,
&end
#
# 67 ASN HN 79 GLN HG3 5.50 (#peak 427 #SUP 0.99 #QF 0.99)
&rst
ixpk= 427, nxpk= 0, iat=1059,1256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ASN HN 79 GLN HN 3.53 (#peak 809 #SUP 0.95 #QF 0.95)
&rst
ixpk= 809, nxpk= 0, iat=1059,1248, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 67 ASN HN 79 GLN QB 3.93 (#peak 428 #SUP 0.94 #QF 0.94)
&rst
ixpk= 428, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1252,1253,
&end
#
# 67 ASN HN 80 LEU HA 4.16 (#peak 421 #SUP 0.93 #QF 0.93)
&rst
ixpk= 421, nxpk= 0, iat=1059,1267, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 67 ASN HN 80 LEU QD1 4.08 (#peak 431 #SUP 0.95 #QF 0.95)
&rst
ixpk= 431, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1274,1275,1276,
&end
#
# 67 ASN QB 68 ILE HB 5.34 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1063,1064,
&end
#
# 67 ASN QB 68 ILE HN 3.29 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1063,1064,
&end
#
# 67 ASN QB 79 GLN QB 4.50 (#peak 839)
&rst
ixpk= 839, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1063,1064,
igr2=1252,1253,
&end
#
# 67 ASN QD2 79 GLN QB 4.73 (#peak 619)
&rst
ixpk= 619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1068,1069,
igr2=1252,1253,
&end
#
# 68 ILE HA 68 ILE HG12 3.97 (#peak 817 #SUP 0.99 #QF 0.99)
&rst
ixpk= 817, nxpk= 0, iat=1075,1083, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 68 ILE HA 68 ILE HG13 3.97 (#peak 821 #SUP 1.00 #QF 0.75)
&rst
ixpk= 821, nxpk= 0, iat=1075,1084, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 68 ILE HA 68 ILE QG2 3.25 (#peak 826 #SUP 1.00)
&rst
ixpk= 826, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1079,1080,1081,
&end
#
# 68 ILE HA 69 VAL HB 4.87 (#peak 795 #SUP 0.94 #QF 0.94)
&rst
ixpk= 795, nxpk= 0, iat=1075,1096, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 68 ILE HA 69 VAL HN 2.89 (#peak 404 #SUP 0.91 #QF 0.91)
&rst
ixpk= 404, nxpk= 0, iat=1075,1092, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 68 ILE HA 69 VAL QQG 4.03 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1098,1099,1100,1102,1103,1104,
&end
#
# 68 ILE HA 78 ILE HA 4.08 (#peak 644 #SUP 0.96 #QF 0.96)
&rst
ixpk= 644, nxpk= 0, iat=1075,1231, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 68 ILE HA 78 ILE QG2 4.38 (#peak 663 #SUP 0.86 #QF 0.86)
&rst
ixpk= 663, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1235,1236,1237,
&end
#
# 68 ILE HA 79 GLN HN 4.00 (#peak 308 #SUP 0.75 #QF 0.75)
&rst
ixpk= 308, nxpk= 0, iat=1075,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 ILE HB 69 VAL HN 4.47 (#peak 407 #SUP 0.99 #QF 0.99)
&rst
ixpk= 407, nxpk= 0, iat=1077,1092, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 68 ILE HG12 78 ILE HA 5.23 (#peak 818 #SUP 0.80 #QF 0.80)
&rst
ixpk= 818, nxpk= 0, iat=1083,1231, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 68 ILE HG13 78 ILE HA 5.23 (#peak 822 #SUP 0.78 #QF 0.78)
&rst
ixpk= 822, nxpk= 0, iat=1084,1231, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 68 ILE HN 68 ILE HB 3.18 (#peak 412 #SUP 0.99 #QF 0.99)
&rst
ixpk= 412, nxpk= 0, iat=1073,1077, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 68 ILE HN 68 ILE HG12 4.07 (#peak 417 #SUP 1.00)
&rst
ixpk= 417, nxpk= 0, iat=1073,1083, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 ILE HN 68 ILE HG13 4.07 (#peak 416 #SUP 1.00)
&rst
ixpk= 416, nxpk= 0, iat=1073,1084, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 ILE HN 68 ILE QD1 3.90 (#peak 830 #SUP 1.00)
&rst
ixpk= 830, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1086,1087,1088,
&end
#
# 68 ILE HN 68 ILE QG1 3.53 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1083,1084,
&end
#
# 68 ILE HN 68 ILE QG2 3.99 (#peak 418 #SUP 1.00)
&rst
ixpk= 418, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1079,1080,1081,
&end
#
# 68 ILE HN 69 VAL HN 4.74 (#peak 807 #SUP 0.99 #QF 0.99)
&rst
ixpk= 807, nxpk= 0, iat=1073,1092, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 68 ILE QG1 69 VAL HN 5.11 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1083,1084,
&end
#
# 68 ILE QG1 78 ILE HA 4.38 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1083,1084,
&end
#
# 68 ILE QG2 69 VAL HA 3.85 (#peak 827 #SUP 0.94 #QF 0.94)
&rst
ixpk= 827, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1079,1080,1081,
&end
#
# 68 ILE QG2 69 VAL HN 3.17 (#peak 410 #SUP 0.90 #QF 0.90)
&rst
ixpk= 410, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1079,1080,1081,
&end
#
# 68 ILE QG2 76 GLU- HG2 3.71 (#peak 828 #SUP 0.99 #QF 0.99)
&rst
ixpk= 828, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1079,1080,1081,
&end
#
# 68 ILE QG2 76 GLU- HG3 3.71 (#peak 706 #SUP 0.75 #QF 0.75)
&rst
ixpk= 706, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1079,1080,1081,
&end
#
# 68 ILE QG2 76 GLU- QG 3.20 (#peak 706)
&rst
ixpk= 706, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1079,1080,1081,
igr2=1202,1203,
&end
#
# 68 ILE QG2 77 ILE HN 3.86 (#peak 339 #SUP 0.98 #QF 0.98)
&rst
ixpk= 339, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1079,1080,1081,
&end
#
# 69 VAL HA 69 VAL QG1 3.54 (#peak 805 #SUP 1.00)
&rst
ixpk= 805, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1098,1099,1100,
&end
#
# 69 VAL HA 69 VAL QG2 3.54 (#peak 812 #SUP 0.99 #QF 0.99)
&rst
ixpk= 812, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1102,1103,1104,
&end
#
# 69 VAL HA 70 LYS+ HN 2.98 (#peak 396 #SUP 0.99 #QF 0.84)
&rst
ixpk= 396, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 69 VAL HB 70 LYS+ HN 4.05 (#peak 794 #SUP 0.97 #QF 0.97)
&rst
ixpk= 794, nxpk= 0, iat=1096,1108, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 69 VAL HB 77 ILE HG12 4.02 (#peak 798 #SUP 0.93 #QF 0.93)
&rst
ixpk= 798, nxpk= 0, iat=1096,1220, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 69 VAL HB 77 ILE HG13 3.84 (#peak 797 #SUP 0.88 #QF 0.88)
&rst
ixpk= 797, nxpk= 0, iat=1096,1221, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 69 VAL HB 77 ILE HN 4.27 (#peak 335 #SUP 0.76 #QF 0.76)
&rst
ixpk= 335, nxpk= 0, iat=1096,1210, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 69 VAL HN 69 VAL HB 3.65 (#peak 406 #SUP 0.99 #QF 0.99)
&rst
ixpk= 406, nxpk= 0, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 VAL HN 69 VAL QG1 4.13 (#peak 411 #SUP 0.99 #QF 0.99)
&rst
ixpk= 411, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1098,1099,1100,
&end
#
# 69 VAL HN 69 VAL QG2 4.13 (#peak 808 #SUP 0.99 #QF 0.99)
&rst
ixpk= 808, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1102,1103,1104,
&end
#
# 69 VAL HN 69 VAL QQG 3.26 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1098,1099,1100,1102,1103,1104,
&end
#
# 69 VAL HN 76 GLU- QG 4.55 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1202,1203,
&end
#
# 69 VAL HN 77 ILE HG12 4.55 (#peak 409 #SUP 0.93 #QF 0.93)
&rst
ixpk= 409, nxpk= 0, iat=1092,1220, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 69 VAL HN 77 ILE HG13 4.26 (#peak 408 #SUP 0.99 #QF 0.99)
&rst
ixpk= 408, nxpk= 0, iat=1092,1221, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 69 VAL HN 77 ILE HN 3.65 (#peak 405 #SUP 1.00)
&rst
ixpk= 405, nxpk= 0, iat=1092,1210, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 VAL QG1 70 LYS+ HN 4.22 (#peak 801 #SUP 0.91 #QF 0.91)
&rst
ixpk= 801, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1098,1099,1100,
&end
#
# 69 VAL QG1 79 GLN HE21 4.63 (#peak 318 #SUP 0.83 #QF 0.60)
&rst
ixpk= 318, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1098,1099,1100,
&end
#
# 69 VAL QG1 79 GLN HE22 4.63 (#peak 319 #SUP 0.86 #QF 0.32)
&rst
ixpk= 319, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1098,1099,1100,
&end
#
# 69 VAL QG2 70 LYS+ HN 4.22 (#peak 807 #SUP 0.92 #QF 0.92)
&rst
ixpk= 807, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1102,1103,1104,
&end
#
# 69 VAL QG2 79 GLN HE21 4.63 (#peak 809 #SUP 0.96 #QF 0.96)
&rst
ixpk= 809, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1102,1103,1104,
&end
#
# 69 VAL QG2 79 GLN HE22 4.63 (#peak 810 #SUP 0.95 #QF 0.95)
&rst
ixpk= 810, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1102,1103,1104,
&end
#
# 69 VAL QQG 70 LYS+ HN 3.53 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1098,1099,1100,1102,1103,1104,
&end
#
# 69 VAL QQG 71 ASP- HA 4.13 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1098,1099,1100,1102,1103,1104,
&end
#
# 69 VAL QQG 71 ASP- HN 4.84 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1098,1099,1100,1102,1103,1104,
&end
#
# 69 VAL QQG 77 ILE HN 4.99 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1098,1099,1100,1102,1103,1104,
&end
#
# 69 VAL QQG 79 GLN HG3 3.73 (#peak 636)
&rst
ixpk= 636, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1098,1099,1100,1102,1103,1104,
&end
#
# 69 VAL QQG 79 GLN QB 3.99 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1098,1099,1100,1102,1103,1104,
igr2=1252,1253,
&end
#
# 69 VAL QQG 79 GLN QE2 3.29 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1098,1099,1100,1102,1103,1104,
igr2=1260,1261,
&end
#
# 70 LYS+ HA 70 LYS+ HG2 4.19 (#peak 785 #SUP 1.00)
&rst
ixpk= 785, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 70 LYS+ HA 70 LYS+ HG3 4.19 (#peak 786 #SUP 0.99 #QF 0.99)
&rst
ixpk= 786, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 70 LYS+ HA 71 ASP- HN 2.88 (#peak 385 #SUP 0.79 #QF 0.79)
&rst
ixpk= 385, nxpk= 0, iat=1110,1130, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 70 LYS+ HA 76 GLU- HB3 5.16 (#peak 702 #SUP 0.99 #QF 0.99)
&rst
ixpk= 702, nxpk= 0, iat=1110,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 70 LYS+ HA 76 GLU- HG2 4.46 (#peak 712 #SUP 0.98 #QF 0.98)
&rst
ixpk= 712, nxpk= 0, iat=1110,1202, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 70 LYS+ HA 76 GLU- HG3 4.46 (#peak 710 #SUP 0.99 #QF 0.99)
&rst
ixpk= 710, nxpk= 0, iat=1110,1203, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 70 LYS+ HA 76 GLU- HN 4.04 (#peak 346 #SUP 0.87 #QF 0.87)
&rst
ixpk= 346, nxpk= 0, iat=1110,1195, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 70 LYS+ HA 77 ILE HN 3.90 (#peak 334 #SUP 0.89 #QF 0.89)
&rst
ixpk= 334, nxpk= 0, iat=1110,1210, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 70 LYS+ HB2 71 ASP- HN 4.84 (#peak 390 #SUP 0.99 #QF 0.95)
&rst
ixpk= 390, nxpk= 0, iat=1112,1130, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 70 LYS+ HB3 71 ASP- HN 4.84 (#peak 391 #SUP 0.96 #QF 0.96)
&rst
ixpk= 391, nxpk= 0, iat=1113,1130, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 70 LYS+ HG2 70 LYS+ QE 4.19 (#peak 787 #SUP 0.99 #QF 0.99)
&rst
ixpk= 787, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1121,1122,
&end
#
# 70 LYS+ HG3 70 LYS+ QE 4.19 (#peak 788 #SUP 0.98 #QF 0.98)
&rst
ixpk= 788, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1121,1122,
&end
#
# 70 LYS+ HN 70 LYS+ HB2 3.71 (#peak 399 #SUP 0.98 #QF 0.98)
&rst
ixpk= 399, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 70 LYS+ HN 70 LYS+ HB3 3.71 (#peak 400 #SUP 0.97 #QF 0.97)
&rst
ixpk= 400, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 70 LYS+ HN 70 LYS+ HG2 5.10 (#peak 401 #SUP 0.93 #QF 0.75)
&rst
ixpk= 401, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 70 LYS+ HN 70 LYS+ HG3 5.10 (#peak 784 #SUP 1.00 #QF 0.92)
&rst
ixpk= 784, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 70 LYS+ HN 70 LYS+ QB 3.22 (#peak 400)
&rst
ixpk= 400, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1112,1113,
&end
#
# 70 LYS+ HN 70 LYS+ QG 4.48 (#peak 401)
&rst
ixpk= 401, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1115,1116,
&end
#
# 70 LYS+ HN 71 ASP- HA 5.24 (#peak 397 #SUP 0.81 #QF 0.81)
&rst
ixpk= 397, nxpk= 0, iat=1108,1132, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 70 LYS+ QB 70 LYS+ QE 4.26 (#peak 308)
&rst
ixpk= 308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1112,1113,
igr2=1121,1122,
&end
#
# 70 LYS+ QB 71 ASP- HN 4.20 (#peak 391)
&rst
ixpk= 391, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1112,1113,
&end
#
# 70 LYS+ QB 76 GLU- QG 5.18 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1112,1113,
igr2=1202,1203,
&end
#
# 70 LYS+ QD 76 GLU- QG 5.18 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1118,1119,
igr2=1202,1203,
&end
#
# 70 LYS+ QE 76 GLU- QG 4.71 (#peak 709)
&rst
ixpk= 709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1121,1122,
igr2=1202,1203,
&end
#
# 70 LYS+ QG 71 ASP- HN 4.08 (#peak 392)
&rst
ixpk= 392, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1115,1116,
&end
#
# 70 LYS+ QG 76 GLU- QG 3.88 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1115,1116,
igr2=1202,1203,
&end
#
# 71 ASP- HA 72 PRO HD2 3.74 (#peak 763 #SUP 0.96 #QF 0.96)
&rst
ixpk= 763, nxpk= 0, iat=1132,1143, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 71 ASP- HA 72 PRO HD3 3.74 (#peak 762 #SUP 0.95 #QF 0.95)
&rst
ixpk= 762, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 71 ASP- HA 72 PRO HG2 5.28 (#peak 752 #SUP 0.79 #QF 0.51)
&rst
ixpk= 752, nxpk= 0, iat=1132,1146, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 71 ASP- HA 72 PRO HG3 5.28 (#peak 752 #SUP 0.79 #QF 0.51)
&rst
ixpk= 752, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 71 ASP- HA 72 PRO QD 3.27 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1143,1144,
&end
#
# 71 ASP- HA 72 PRO QG 4.58 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1146,1147,
&end
#
# 71 ASP- HA 73 GLU- HN 5.06 (#peak 371 #SUP 0.98 #QF 0.98)
&rst
ixpk= 371, nxpk= 0, iat=1132,1156, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 ASP- HB2 72 PRO HD2 5.04 (#peak 768 #SUP 1.00 #QF 0.98)
&rst
ixpk= 768, nxpk= 0, iat=1134,1143, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 71 ASP- HB2 72 PRO HD3 5.04 (#peak 772 #SUP 0.86 #QF 0.86)
&rst
ixpk= 772, nxpk= 0, iat=1134,1144, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 71 ASP- HB2 72 PRO QD 4.34 (#peak 772)
&rst
ixpk= 772, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1143,1144,
&end
#
# 71 ASP- HB2 73 GLU- HN 4.88 (#peak 382 #SUP 0.88 #QF 0.85)
&rst
ixpk= 382, nxpk= 0, iat=1134,1156, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 71 ASP- HB2 74 MET HB2 3.88 (#peak 766 #SUP 0.98 #QF 0.98)
&rst
ixpk= 766, nxpk= 0, iat=1134,1175, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 71 ASP- HB2 74 MET HB3 4.26 (#peak 767 #SUP 0.97 #QF 0.97)
&rst
ixpk= 767, nxpk= 0, iat=1134,1176, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 71 ASP- HB2 74 MET HN 4.05 (#peak 771 #SUP 0.97 #QF 0.97)
&rst
ixpk= 771, nxpk= 0, iat=1134,1171, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 71 ASP- HB2 75 GLY HN 3.92 (#peak 356 #SUP 0.99 #QF 0.99)
&rst
ixpk= 356, nxpk= 0, iat=1134,1188, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 71 ASP- HB2 75 GLY QA 5.34 (#peak 768)
&rst
ixpk= 768, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1190,1191,
&end
#
# 71 ASP- HB2 77 ILE HG12 4.18 (#peak 691 #SUP 0.82 #QF 0.82)
&rst
ixpk= 691, nxpk= 0, iat=1134,1220, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 71 ASP- HB2 77 ILE HG13 5.19 (#peak 692 #SUP 0.99 #QF 0.99)
&rst
ixpk= 692, nxpk= 0, iat=1134,1221, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 71 ASP- HB2 77 ILE QD1 3.35 (#peak 696 #SUP 0.94 #QF 0.94)
&rst
ixpk= 696, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1223,1224,1225,
&end
#
# 71 ASP- HB3 73 GLU- HN 4.57 (#peak 376 #SUP 0.95 #QF 0.95)
&rst
ixpk= 376, nxpk= 0, iat=1135,1156, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 71 ASP- HB3 74 MET HB2 3.72 (#peak 777 #SUP 0.99 #QF 0.99)
&rst
ixpk= 777, nxpk= 0, iat=1135,1175, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 71 ASP- HB3 74 MET HB3 4.13 (#peak 776 #SUP 0.95 #QF 0.95)
&rst
ixpk= 776, nxpk= 0, iat=1135,1176, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 71 ASP- HB3 74 MET HN 3.78 (#peak 367 #SUP 1.00)
&rst
ixpk= 367, nxpk= 0, iat=1135,1171, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 71 ASP- HB3 75 GLY HN 3.64 (#peak 357 #SUP 0.98 #QF 0.98)
&rst
ixpk= 357, nxpk= 0, iat=1135,1188, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 71 ASP- HB3 77 ILE HG12 5.41 (#peak 778 #SUP 0.99 #QF 0.99)
&rst
ixpk= 778, nxpk= 0, iat=1135,1220, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 71 ASP- HB3 77 ILE QD1 4.13 (#peak 779 #SUP 0.98 #QF 0.98)
&rst
ixpk= 779, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1223,1224,1225,
&end
#
# 71 ASP- HN 71 ASP- HB2 3.41 (#peak 389 #SUP 0.98 #QF 0.98)
&rst
ixpk= 389, nxpk= 0, iat=1130,1134, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 71 ASP- HN 71 ASP- HB3 3.55 (#peak 388 #SUP 0.99 #QF 0.99)
&rst
ixpk= 388, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 71 ASP- HN 74 MET HB2 5.30 (#peak 390 #SUP 0.99 #QF 0.95)
&rst
ixpk= 390, nxpk= 0, iat=1130,1175, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 71 ASP- HN 75 GLY HA2 4.45 (#peak 387 #SUP 0.95 #QF 0.95)
&rst
ixpk= 387, nxpk= 0, iat=1130,1190, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 71 ASP- HN 75 GLY HA3 4.45 (#peak 386 #SUP 0.94 #QF 0.94)
&rst
ixpk= 386, nxpk= 0, iat=1130,1191, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 71 ASP- HN 75 GLY HN 4.13 (#peak 353 #SUP 0.98 #QF 0.98)
&rst
ixpk= 353, nxpk= 0, iat=1130,1188, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 71 ASP- HN 76 GLU- HB2 5.50 (#peak 699 #SUP 0.82 #QF 0.82)
&rst
ixpk= 699, nxpk= 0, iat=1130,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ASP- HN 77 ILE HN 4.47 (#peak 395 #SUP 0.89 #QF 0.89)
&rst
ixpk= 395, nxpk= 0, iat=1130,1210, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 71 ASP- HN 77 ILE QD1 5.24 (#peak 393 #SUP 0.98 #QF 0.74)
&rst
ixpk= 393, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1223,1224,1225,
&end
#
# 71 ASP- HN 77 ILE QG2 4.46 (#peak 685 #SUP 0.54 #QF 0.54)
&rst
ixpk= 685, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1216,1217,1218,
&end
#
# 72 PRO HB2 73 GLU- HN 3.05 (#peak 377 #SUP 0.50 #QF 0.50)
&rst
ixpk= 377, nxpk= 0, iat=1149,1156, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 72 PRO HB3 73 GLU- HN 4.37 (#peak 383 #SUP 0.92 #QF 0.92)
&rst
ixpk= 383, nxpk= 0, iat=1150,1156, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 72 PRO HD2 73 GLU- HN 4.28 (#peak 761 #SUP 0.98 #QF 0.98)
&rst
ixpk= 761, nxpk= 0, iat=1143,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 72 PRO HD3 73 GLU- HN 4.28 (#peak 760 #SUP 0.95 #QF 0.95)
&rst
ixpk= 760, nxpk= 0, iat=1144,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 72 PRO QD 72 PRO QG 3.00 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1143,1144,
igr2=1146,1147,
&end
#
# 72 PRO QD 73 GLU- HN 3.53 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1143,1144,
&end
#
# 72 PRO QD 74 MET HN 4.62 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1143,1144,
&end
#
# 72 PRO QG 73 GLU- HN 4.03 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1146,1147,
&end
#
# 73 GLU- HB2 74 MET HN 3.90 (#peak 747 #SUP 0.96 #QF 0.96)
&rst
ixpk= 747, nxpk= 0, iat=1160,1171, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 73 GLU- HB3 74 MET HN 3.90 (#peak 364 #SUP 1.00 #QF 0.34)
&rst
ixpk= 364, nxpk= 0, iat=1161,1171, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 73 GLU- HG2 74 MET HN 4.79 (#peak 743 #SUP 0.99 #QF 0.99)
&rst
ixpk= 743, nxpk= 0, iat=1163,1171, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 73 GLU- HG3 74 MET HN 4.79 (#peak 742 #SUP 0.88 #QF 0.88)
&rst
ixpk= 742, nxpk= 0, iat=1164,1171, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 73 GLU- HN 73 GLU- HG2 4.13 (#peak 379 #SUP 1.00)
&rst
ixpk= 379, nxpk= 0, iat=1156,1163, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 GLU- HN 73 GLU- HG3 4.13 (#peak 740 #SUP 1.00)
&rst
ixpk= 740, nxpk= 0, iat=1156,1164, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 GLU- HN 73 GLU- QB 3.37 (#peak 1672)
&rst
ixpk= 1672, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1160,1161,
&end
#
# 73 GLU- HN 73 GLU- QG 3.62 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1163,1164,
&end
#
# 73 GLU- HN 74 MET HB2 4.59 (#peak 381 #SUP 0.84 #QF 0.84)
&rst
ixpk= 381, nxpk= 0, iat=1156,1175, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 73 GLU- HN 74 MET HG3 5.10 (#peak 735 #SUP 0.96 #QF 0.96)
&rst
ixpk= 735, nxpk= 0, iat=1156,1179, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 73 GLU- HN 74 MET HN 2.91 (#peak 370 #SUP 0.98 #QF 0.98)
&rst
ixpk= 370, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 73 GLU- QG 74 MET HN 4.21 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1163,1164,
&end
#
# 74 MET HA 74 MET HG2 3.55 (#peak 734 #SUP 0.99 #QF 0.99)
&rst
ixpk= 734, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 74 MET HA 74 MET HG3 3.63 (#peak 733 #SUP 0.99 #QF 0.99)
&rst
ixpk= 733, nxpk= 0, iat=1173,1179, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 74 MET HA 74 MET QE 4.76 (#peak 739 #SUP 0.99 #QF 0.99)
&rst
ixpk= 739, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1182,1183,1184,
&end
#
# 74 MET HB2 75 GLY HN 4.21 (#peak 354 #SUP 0.99 #QF 0.99)
&rst
ixpk= 354, nxpk= 0, iat=1175,1188, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 74 MET HB3 75 GLY HN 4.20 (#peak 355 #SUP 0.95 #QF 0.95)
&rst
ixpk= 355, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 74 MET HB3 77 ILE QD1 3.58 (#peak 638 #SUP 0.84 #QF 0.41)
&rst
ixpk= 638, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1223,1224,1225,
&end
#
# 74 MET HN 74 MET HB2 3.59 (#peak 368 #SUP 1.00)
&rst
ixpk= 368, nxpk= 0, iat=1171,1175, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 74 MET HN 74 MET HB3 4.07 (#peak 725 #SUP 0.99 #QF 0.99)
&rst
ixpk= 725, nxpk= 0, iat=1171,1176, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 74 MET HN 74 MET HG2 3.92 (#peak 365 #SUP 0.99 #QF 0.99)
&rst
ixpk= 365, nxpk= 0, iat=1171,1178, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 74 MET HN 74 MET HG3 3.57 (#peak 366 #SUP 0.99 #QF 0.99)
&rst
ixpk= 366, nxpk= 0, iat=1171,1179, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 74 MET HN 74 MET QE 4.68 (#peak 736 #SUP 1.00)
&rst
ixpk= 736, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1182,1183,1184,
&end
#
# 74 MET HN 75 GLY HN 3.24 (#peak 351 #SUP 0.98 #QF 0.98)
&rst
ixpk= 351, nxpk= 0, iat=1171,1188, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 75 GLY HA2 76 GLU- HN 3.35 (#peak 348 #SUP 0.97 #QF 0.97)
&rst
ixpk= 348, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 75 GLY HA3 76 GLU- HN 3.35 (#peak 347 #SUP 0.92 #QF 0.92)
&rst
ixpk= 347, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 75 GLY HN 76 GLU- HN 4.66 (#peak 349 #SUP 0.97 #QF 0.97)
&rst
ixpk= 349, nxpk= 0, iat=1188,1195, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 75 GLY QA 76 GLU- HB2 4.53 (#peak 721)
&rst
ixpk= 721, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1190,1191,
&end
#
# 75 GLY QA 76 GLU- HN 2.84 (#peak 347)
&rst
ixpk= 347, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1=1190,1191,
&end
#
# 76 GLU- HA 76 GLU- HG2 4.12 (#peak 713 #SUP 1.00)
&rst
ixpk= 713, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 76 GLU- HA 76 GLU- HG3 4.12 (#peak 711 #SUP 1.00)
&rst
ixpk= 711, nxpk= 0, iat=1197,1203, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 76 GLU- HA 77 ILE HN 3.18 (#peak 333 #SUP 0.90 #QF 0.90)
&rst
ixpk= 333, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 76 GLU- HB2 77 ILE HN 4.59 (#peak 697 #SUP 0.99 #QF 0.99)
&rst
ixpk= 697, nxpk= 0, iat=1199,1210, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 76 GLU- HB3 77 ILE HN 4.20 (#peak 340 #SUP 0.59 #QF 0.59)
&rst
ixpk= 340, nxpk= 0, iat=1200,1210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 GLU- HG2 77 ILE HN 4.84 (#peak 336 #SUP 0.99 #QF 0.99)
&rst
ixpk= 336, nxpk= 0, iat=1202,1210, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 76 GLU- HG3 77 ILE HN 4.84 (#peak 716 #SUP 0.99 #QF 0.99)
&rst
ixpk= 716, nxpk= 0, iat=1203,1210, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 76 GLU- HN 76 GLU- HB2 3.17 (#peak 341 #SUP 0.96 #QF 0.96)
&rst
ixpk= 341, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 76 GLU- HN 76 GLU- HB3 3.13 (#peak 342 #SUP 0.94 #QF 0.94)
&rst
ixpk= 342, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 76 GLU- HN 76 GLU- HG2 4.45 (#peak 343 #SUP 0.99 #QF 0.99)
&rst
ixpk= 343, nxpk= 0, iat=1195,1202, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 GLU- HN 76 GLU- HG3 4.45 (#peak 344 #SUP 0.99 #QF 0.99)
&rst
ixpk= 344, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 GLU- HN 76 GLU- QG 3.78 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1202,1203,
&end
#
# 76 GLU- HN 77 ILE HN 4.71 (#peak 350 #SUP 1.00)
&rst
ixpk= 350, nxpk= 0, iat=1195,1210, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 76 GLU- QG 77 ILE HN 4.25 (#peak 716)
&rst
ixpk= 716, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1202,1203,
&end
#
# 77 ILE HA 77 ILE QG2 3.30 (#peak 688 #SUP 0.90 #QF 0.90)
&rst
ixpk= 688, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1216,1217,1218,
&end
#
# 77 ILE HA 78 ILE HN 3.16 (#peak 324 #SUP 0.89 #QF 0.89)
&rst
ixpk= 324, nxpk= 0, iat=1212,1229, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 77 ILE HB 78 ILE HN 3.35 (#peak 326 #SUP 0.94 #QF 0.94)
&rst
ixpk= 326, nxpk= 0, iat=1214,1229, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 77 ILE HG13 79 GLN HG2 5.36 (#peak 641 #SUP 0.95 #QF 0.84)
&rst
ixpk= 641, nxpk= 0, iat=1221,1255, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 77 ILE HG13 79 GLN HG3 4.47 (#peak 640 #SUP 0.57 #QF 0.57)
&rst
ixpk= 640, nxpk= 0, iat=1221,1256, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 77 ILE HN 77 ILE HB 4.00 (#peak 671 #SUP 1.00)
&rst
ixpk= 671, nxpk= 0, iat=1210,1214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ILE HN 77 ILE HG12 3.56 (#peak 338 #SUP 0.99 #QF 0.99)
&rst
ixpk= 338, nxpk= 0, iat=1210,1220, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 77 ILE HN 77 ILE HG13 3.87 (#peak 337 #SUP 1.00)
&rst
ixpk= 337, nxpk= 0, iat=1210,1221, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 77 ILE HN 77 ILE QG2 3.82 (#peak 683 #SUP 0.96 #QF 0.96)
&rst
ixpk= 683, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1216,1217,1218,
&end
#
# 77 ILE QD1 79 GLN HE21 4.46 (#peak 318 #SUP 0.83 #QF 0.60)
&rst
ixpk= 318, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1223,1224,1225,
&end
#
# 77 ILE QD1 79 GLN HE22 4.46 (#peak 319 #SUP 0.86 #QF 0.32)
&rst
ixpk= 319, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1223,1224,1225,
&end
#
# 77 ILE QD1 79 GLN HG3 4.23 (#peak 636 #SUP 0.86 #QF 0.56)
&rst
ixpk= 636, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1223,1224,1225,
&end
#
# 77 ILE QD1 79 GLN QE2 3.75 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1223,1224,1225,
igr2=1260,1261,
&end
#
# 77 ILE QG2 78 ILE HN 3.72 (#peak 686 #SUP 0.98 #QF 0.98)
&rst
ixpk= 686, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1216,1217,1218,
&end
#
# 78 ILE HA 78 ILE HG12 3.94 (#peak 647 #SUP 0.60 #QF 0.60)
&rst
ixpk= 647, nxpk= 0, iat=1231,1239, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 78 ILE HA 78 ILE HG13 3.94 (#peak 658 #SUP 1.00)
&rst
ixpk= 658, nxpk= 0, iat=1231,1240, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 78 ILE HA 78 ILE QD1 4.01 (#peak 669 #SUP 1.00)
&rst
ixpk= 669, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1242,1243,1244,
&end
#
# 78 ILE HA 78 ILE QG2 3.34 (#peak 664 #SUP 1.00)
&rst
ixpk= 664, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1235,1236,1237,
&end
#
# 78 ILE HA 79 GLN HN 2.95 (#peak 309 #SUP 0.90 #QF 0.90)
&rst
ixpk= 309, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 78 ILE HB 78 ILE QD1 3.44 (#peak 653 #SUP 0.94 #QF 0.77)
&rst
ixpk= 653, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1242,1243,1244,
&end
#
# 78 ILE HB 79 GLN HN 4.56 (#peak 313 #SUP 0.70 #QF 0.70)
&rst
ixpk= 313, nxpk= 0, iat=1233,1248, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 78 ILE HG12 79 GLN HN 5.15 (#peak 315 #SUP 0.99 #QF 0.99)
&rst
ixpk= 315, nxpk= 0, iat=1239,1248, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 78 ILE HG13 79 GLN HN 5.15 (#peak 312 #SUP 1.00)
&rst
ixpk= 312, nxpk= 0, iat=1240,1248, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 78 ILE HN 78 ILE HB 3.48 (#peak 327 #SUP 0.98 #QF 0.98)
&rst
ixpk= 327, nxpk= 0, iat=1229,1233, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 78 ILE HN 78 ILE HG12 4.31 (#peak 329 #SUP 0.97 #QF 0.81)
&rst
ixpk= 329, nxpk= 0, iat=1229,1239, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 78 ILE HN 78 ILE HG13 4.31 (#peak 595 #SUP 0.89 #QF 0.62)
&rst
ixpk= 595, nxpk= 0, iat=1229,1240, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 78 ILE HN 78 ILE QD1 3.61 (#peak 328 #SUP 0.97 #QF 0.97)
&rst
ixpk= 328, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1242,1243,1244,
&end
#
# 78 ILE HN 78 ILE QG1 3.67 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1239,1240,
&end
#
# 78 ILE HN 78 ILE QG2 4.23 (#peak 661 #SUP 1.00)
&rst
ixpk= 661, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1235,1236,1237,
&end
#
# 78 ILE HN 79 GLN HN 4.87 (#peak 316 #SUP 0.98 #QF 0.98)
&rst
ixpk= 316, nxpk= 0, iat=1229,1248, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 78 ILE QG1 79 GLN HN 4.33 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1239,1240,
&end
#
# 78 ILE QG2 78 ILE QG1 3.39 (#peak 666)
&rst
ixpk= 666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1235,1236,1237,
igr2=1239,1240,
&end
#
# 78 ILE QG2 79 GLN HA 4.09 (#peak 662 #SUP 0.93 #QF 0.93)
&rst
ixpk= 662, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1235,1236,1237,
&end
#
# 78 ILE QG2 79 GLN HN 3.42 (#peak 660 #SUP 1.00)
&rst
ixpk= 660, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1235,1236,1237,
&end
#
# 78 ILE QG2 80 LEU HN 4.52 (#peak 659 #SUP 0.84 #QF 0.84)
&rst
ixpk= 659, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1235,1236,1237,
&end
#
# 79 GLN HA 79 GLN HG2 4.15 (#peak 634 #SUP 1.00)
&rst
ixpk= 634, nxpk= 0, iat=1250,1255, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 79 GLN HA 79 GLN HG3 4.02 (#peak 613 #SUP 0.96 #QF 0.96)
&rst
ixpk= 613, nxpk= 0, iat=1250,1256, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 79 GLN HA 80 LEU HN 3.03 (#peak 298 #SUP 1.00 #QF 0.95)
&rst
ixpk= 298, nxpk= 0, iat=1250,1265, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 79 GLN HG2 80 LEU HN 4.72 (#peak 626 #SUP 0.97 #QF 0.97)
&rst
ixpk= 626, nxpk= 0, iat=1255,1265, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 79 GLN HG3 80 LEU HN 5.29 (#peak 625 #SUP 0.95 #QF 0.95)
&rst
ixpk= 625, nxpk= 0, iat=1256,1265, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 79 GLN HN 79 GLN HG2 4.82 (#peak 628 #SUP 0.99 #QF 0.99)
&rst
ixpk= 628, nxpk= 0, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 79 GLN HN 79 GLN HG3 4.33 (#peak 310 #SUP 0.99 #QF 0.99)
&rst
ixpk= 310, nxpk= 0, iat=1248,1256, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 79 GLN HN 79 GLN QB 3.41 (#peak 311 #SUP 1.00)
&rst
ixpk= 311, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1252,1253,
&end
#
# 79 GLN HN 80 LEU HN 4.82 (#peak 317 #SUP 1.00)
&rst
ixpk= 317, nxpk= 0, iat=1248,1265, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 79 GLN QB 79 GLN QE2 4.03 (#peak 320)
&rst
ixpk= 320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1252,1253,
igr2=1260,1261,
&end
#
# 79 GLN QB 80 LEU HN 4.12 (#peak 617 #SUP 1.00)
&rst
ixpk= 617, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1252,1253,
&end
#
# 80 LEU HA 80 LEU QD1 3.21 (#peak 597 #SUP 0.97 #QF 0.97)
&rst
ixpk= 597, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1274,1275,1276,
&end
#
# 80 LEU HA 80 LEU QD2 4.03 (#peak 596 #SUP 0.99 #QF 0.99)
&rst
ixpk= 596, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1278,1279,1280,
&end
#
# 80 LEU HA 81 GLN HN 3.10 (#peak 294 #SUP 0.95 #QF 0.95)
&rst
ixpk= 294, nxpk= 0, iat=1267,1284, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 80 LEU HB2 81 GLN HN 4.57 (#peak 585 #SUP 0.97 #QF 0.97)
&rst
ixpk= 585, nxpk= 0, iat=1269,1284, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 80 LEU HB2 84 GLN QG 4.43 (#peak 545)
&rst
ixpk= 545, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1327,1328,
&end
#
# 80 LEU HB3 81 GLN HN 4.28 (#peak 288 #SUP 0.68 #QF 0.68)
&rst
ixpk= 288, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 80 LEU HB3 84 GLN HN 4.57 (#peak 257 #SUP 0.89 #QF 0.89)
&rst
ixpk= 257, nxpk= 0, iat=1270,1320, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 80 LEU HB3 84 GLN QG 3.98 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1327,1328,
&end
#
# 80 LEU HG 84 GLN HB2 4.39 (#peak 523 #SUP 0.66 #QF 0.66)
&rst
ixpk= 523, nxpk= 0, iat=1272,1324, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 80 LEU HN 80 LEU HB2 3.94 (#peak 303 #SUP 1.00)
&rst
ixpk= 303, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 80 LEU HN 80 LEU HB3 3.51 (#peak 301 #SUP 0.98 #QF 0.98)
&rst
ixpk= 301, nxpk= 0, iat=1265,1270, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 80 LEU HN 80 LEU HG 4.83 (#peak 591 #SUP 0.99 #QF 0.99)
&rst
ixpk= 591, nxpk= 0, iat=1265,1272, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 80 LEU HN 80 LEU QD1 4.23 (#peak 593 #SUP 0.99 #QF 0.99)
&rst
ixpk= 593, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1274,1275,1276,
&end
#
# 80 LEU HN 80 LEU QD2 4.50 (#peak 302 #SUP 0.97 #QF 0.97)
&rst
ixpk= 302, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1278,1279,1280,
&end
#
# 80 LEU HN 81 GLN HN 5.50 (#peak 295 #SUP 1.00 #QF 0.89)
&rst
ixpk= 295, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU QD1 81 GLN HN 4.03 (#peak 594 #SUP 0.99 #QF 0.99)
&rst
ixpk= 594, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1274,1275,1276,
&end
#
# 80 LEU QD1 84 GLN QG 4.38 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1274,1275,1276,
igr2=1327,1328,
&end
#
# 80 LEU QD2 84 GLN HB2 3.84 (#peak 604 #SUP 1.00 #QF 0.88)
&rst
ixpk= 604, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1278,1279,1280,
&end
#
# 80 LEU QD2 84 GLN HB3 4.10 (#peak 530 #SUP 0.98 #QF 0.98)
&rst
ixpk= 530, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1278,1279,1280,
&end
#
# 80 LEU QD2 84 GLN HG2 4.32 (#peak 605 #SUP 0.99 #QF 0.99)
&rst
ixpk= 605, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1278,1279,1280,
&end
#
# 80 LEU QD2 84 GLN HG3 4.32 (#peak 544 #SUP 0.97 #QF 0.97)
&rst
ixpk= 544, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1278,1279,1280,
&end
#
# 80 LEU QD2 84 GLN HN 4.52 (#peak 260 #SUP 0.71 #QF 0.71)
&rst
ixpk= 260, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1278,1279,1280,
&end
#
# 80 LEU QD2 84 GLN QG 3.63 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1278,1279,1280,
igr2=1327,1328,
&end
#
# 81 GLN HA 81 GLN QG 3.72 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1291,1292,
&end
#
# 81 GLN HA 82 GLY HN 3.01 (#peak 279 #SUP 0.93 #QF 0.93)
&rst
ixpk= 279, nxpk= 0, iat=1286,1301, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 81 GLN HB2 82 GLY HN 4.50 (#peak 284 #SUP 0.97 #QF 0.97)
&rst
ixpk= 284, nxpk= 0, iat=1288,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLN HB3 82 GLY HN 4.50 (#peak 570 #SUP 1.00 #QF 0.99)
&rst
ixpk= 570, nxpk= 0, iat=1289,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLN HN 81 GLN HB2 3.65 (#peak 289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 289, nxpk= 0, iat=1284,1288, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 81 GLN HN 81 GLN HB3 3.65 (#peak 290 #SUP 0.99 #QF 0.99)
&rst
ixpk= 290, nxpk= 0, iat=1284,1289, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 81 GLN HN 81 GLN HG2 4.02 (#peak 291 #SUP 0.98 #QF 0.98)
&rst
ixpk= 291, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 GLN HN 81 GLN HG3 4.02 (#peak 575 #SUP 0.98 #QF 0.98)
&rst
ixpk= 575, nxpk= 0, iat=1284,1292, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 GLN HN 81 GLN QB 3.08 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1288,1289,
&end
#
# 81 GLN HN 81 GLN QG 3.53 (#peak 575)
&rst
ixpk= 575, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1291,1292,
&end
#
# 81 GLN QB 82 GLY HN 3.87 (#peak 570)
&rst
ixpk= 570, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1288,1289,
&end
#
# 81 GLN QG 82 GLY HN 4.39 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1291,1292,
&end
#
# 82 GLY HA2 84 GLN HE21 4.35 (#peak 562 #SUP 0.56 #QF 0.56)
&rst
ixpk= 562, nxpk= 0, iat=1303,1332, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 82 GLY HA2 84 GLN HE22 4.67 (#peak 264 #SUP 0.99 #QF 0.99)
&rst
ixpk= 264, nxpk= 0, iat=1303,1333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 82 GLY HA3 84 GLN HE21 4.35 (#peak 271 #SUP 0.99 #QF 0.99)
&rst
ixpk= 271, nxpk= 0, iat=1304,1332, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 82 GLY HA3 84 GLN HE22 4.67 (#peak 265 #SUP 0.98 #QF 0.98)
&rst
ixpk= 265, nxpk= 0, iat=1304,1333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 82 GLY QA 84 GLN HE21 3.67 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1303,1304,
&end
#
# 82 GLY QA 84 GLN HE22 3.87 (#peak 265)
&rst
ixpk= 265, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1303,1304,
&end
#
# 83 ASP- HA 84 GLN HN 3.20 (#peak 252 #SUP 0.92 #QF 0.92)
&rst
ixpk= 252, nxpk= 0, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 83 ASP- HA 85 ARG+ HN 4.12 (#peak 244 #SUP 0.87 #QF 0.87)
&rst
ixpk= 244, nxpk= 0, iat=1310,1337, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 83 ASP- QB 84 GLN HN 4.25 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1312,1313,
&end
#
# 84 GLN HA 87 LYS+ HN 4.38 (#peak 230 #SUP 0.58 #QF 0.58)
&rst
ixpk= 230, nxpk= 0, iat=1322,1371, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 84 GLN HA 87 LYS+ QB 4.39 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1375,1376,
&end
#
# 84 GLN HB2 84 GLN HE21 4.75 (#peak 269 #SUP 0.99 #QF 0.99)
&rst
ixpk= 269, nxpk= 0, iat=1324,1332, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 84 GLN HB2 87 LYS+ QB 4.36 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1375,1376,
&end
#
# 84 GLN HB2 88 VAL QG2 3.63 (#peak 451 #SUP 0.73 #QF 0.73)
&rst
ixpk= 451, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1403,1404,1405,
&end
#
# 84 GLN HB3 84 GLN HE21 4.75 (#peak 266 #SUP 1.00)
&rst
ixpk= 266, nxpk= 0, iat=1325,1332, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 84 GLN HB3 85 ARG+ HN 4.59 (#peak 238 #SUP 0.96 #QF 0.96)
&rst
ixpk= 238, nxpk= 0, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 84 GLN HN 84 GLN HB3 4.03 (#peak 258 #SUP 1.00)
&rst
ixpk= 258, nxpk= 0, iat=1320,1325, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 84 GLN HN 84 GLN QG 3.74 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1327,1328,
&end
#
# 84 GLN HN 85 ARG+ HA 4.91 (#peak 488 #SUP 0.90 #QF 0.90)
&rst
ixpk= 488, nxpk= 0, iat=1320,1339, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 84 GLN HN 85 ARG+ HN 3.43 (#peak 248 #SUP 0.99 #QF 0.99)
&rst
ixpk= 248, nxpk= 0, iat=1320,1337, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 84 GLN QG 84 GLN HE22 3.48 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1327,1328,
&end
#
# 85 ARG+ HA 105 ILE QG2 4.69 (#peak 39 #SUP 0.66 #QF 0.66)
&rst
ixpk= 39, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1686,1687,1688,
&end
#
# 85 ARG+ HA 85 ARG+ HG2 4.00 (#peak 483 #SUP 0.90 #QF 0.90)
&rst
ixpk= 483, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ARG+ HA 85 ARG+ HG3 4.00 (#peak 484 #SUP 1.00)
&rst
ixpk= 484, nxpk= 0, iat=1339,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ARG+ HA 87 LYS+ HN 4.80 (#peak 228 #SUP 0.72 #QF 0.72)
&rst
ixpk= 228, nxpk= 0, iat=1339,1371, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 85 ARG+ HA 88 VAL HB 4.05 (#peak 485 #SUP 0.84 #QF 0.84)
&rst
ixpk= 485, nxpk= 0, iat=1339,1397, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 85 ARG+ HA 88 VAL HN 5.48 (#peak 487 #SUP 0.99 #QF 0.76)
&rst
ixpk= 487, nxpk= 0, iat=1339,1393, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 85 ARG+ HA 89 CYS HN 4.83 (#peak 208 #SUP 1.00 #QF 0.80)
&rst
ixpk= 208, nxpk= 0, iat=1339,1409, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 85 ARG+ HD2 105 ILE QG2 3.81 (#peak 1635 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1635, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1686,1687,1688,
&end
#
# 85 ARG+ HD3 105 ILE QG2 3.81 (#peak 1675 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1675, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1686,1687,1688,
&end
#
# 85 ARG+ HN 85 ARG+ HD2 5.07 (#peak 789 #SUP 0.98 #QF 0.98)
&rst
ixpk= 789, nxpk= 0, iat=1337,1347, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 85 ARG+ HN 85 ARG+ HD3 5.07 (#peak 242 #SUP 1.00)
&rst
ixpk= 242, nxpk= 0, iat=1337,1348, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 85 ARG+ HN 85 ARG+ HG2 3.47 (#peak 239 #SUP 0.91 #QF 0.91)
&rst
ixpk= 239, nxpk= 0, iat=1337,1344, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 85 ARG+ HN 85 ARG+ HG3 3.47 (#peak 240 #SUP 0.98 #QF 0.98)
&rst
ixpk= 240, nxpk= 0, iat=1337,1345, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 85 ARG+ HN 85 ARG+ QB 3.34 (#peak 241)
&rst
ixpk= 241, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1341,1342,
&end
#
# 85 ARG+ HN 85 ARG+ QD 4.32 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1347,1348,
&end
#
# 85 ARG+ HN 86 ALA HN 4.07 (#peak 247 #SUP 0.95 #QF 0.95)
&rst
ixpk= 247, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 85 ARG+ HN 86 ALA QB 4.59 (#peak 479 #SUP 0.57 #QF 0.57)
&rst
ixpk= 479, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1365,1366,1367,
&end
#
# 85 ARG+ QB 105 ILE QG2 3.87 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1341,1342,
igr2=1686,1687,1688,
&end
#
# 85 ARG+ QB 106 HIS HN 4.99 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1341,1342,
&end
#
# 85 ARG+ QB 86 ALA HN 4.25 (#peak 234)
&rst
ixpk= 234, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1341,1342,
&end
#
# 85 ARG+ QD 105 ILE QG2 3.26 (#peak 1635)
&rst
ixpk= 1635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1347,1348,
igr2=1686,1687,1688,
&end
#
# 85 ARG+ QG 86 ALA HN 4.43 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1344,1345,
&end
#
# 86 ALA HA 105 ILE QD1 4.00 (#peak 43 #SUP 0.97 #QF 0.97)
&rst
ixpk= 43, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1693,1694,1695,
&end
#
# 86 ALA HA 89 CYS HB2 4.09 (#peak 410 #SUP 0.98 #QF 0.98)
&rst
ixpk= 410, nxpk= 0, iat=1363,1413, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 86 ALA HA 89 CYS HB3 3.75 (#peak 473 #SUP 1.00)
&rst
ixpk= 473, nxpk= 0, iat=1363,1414, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 86 ALA HA 89 CYS HN 4.10 (#peak 206 #SUP 0.97 #QF 0.97)
&rst
ixpk= 206, nxpk= 0, iat=1363,1409, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 86 ALA HN 86 ALA QB 3.60 (#peak 232 #SUP 1.00)
&rst
ixpk= 232, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1365,1366,1367,
&end
#
# 86 ALA HN 87 LYS+ HN 3.38 (#peak 231 #SUP 0.98 #QF 0.72)
&rst
ixpk= 231, nxpk= 0, iat=1361,1371, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 86 ALA QB 87 LYS+ HN 3.13 (#peak 224 #SUP 0.87 #QF 0.87)
&rst
ixpk= 224, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1365,1366,1367,
&end
#
# 86 ALA QB 89 CYS HB3 4.57 (#peak 414 #SUP 0.97 #QF 0.97)
&rst
ixpk= 414, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1365,1366,1367,
&end
#
# 87 LYS+ HA 87 LYS+ HG2 3.92 (#peak 465 #SUP 0.99 #QF 0.99)
&rst
ixpk= 465, nxpk= 0, iat=1373,1378, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 87 LYS+ HA 87 LYS+ HG3 3.92 (#peak 466 #SUP 0.99 #QF 0.99)
&rst
ixpk= 466, nxpk= 0, iat=1373,1379, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 87 LYS+ HA 87 LYS+ QG 3.38 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1378,1379,
&end
#
# 87 LYS+ HB2 87 LYS+ QE 4.53 (#peak 464 #SUP 1.00)
&rst
ixpk= 464, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1384,1385,
&end
#
# 87 LYS+ HB2 88 VAL HN 3.83 (#peak 219 #SUP 0.96 #QF 0.96)
&rst
ixpk= 219, nxpk= 0, iat=1375,1393, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 87 LYS+ HB3 87 LYS+ QE 4.53 (#peak 463 #SUP 1.00)
&rst
ixpk= 463, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1384,1385,
&end
#
# 87 LYS+ HB3 88 VAL HN 3.83 (#peak 218 #SUP 0.96 #QF 0.96)
&rst
ixpk= 218, nxpk= 0, iat=1376,1393, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 87 LYS+ HN 87 LYS+ HG2 4.46 (#peak 468 #SUP 0.98 #QF 0.98)
&rst
ixpk= 468, nxpk= 0, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 87 LYS+ HN 87 LYS+ HG3 4.46 (#peak 469 #SUP 0.99 #QF 0.99)
&rst
ixpk= 469, nxpk= 0, iat=1371,1379, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 87 LYS+ HN 87 LYS+ QB 3.10 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1375,1376,
&end
#
# 87 LYS+ HN 87 LYS+ QD 4.33 (#peak 226 #SUP 0.69 #QF 0.69)
&rst
ixpk= 226, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1381,1382,
&end
#
# 87 LYS+ HN 87 LYS+ QG 3.70 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1378,1379,
&end
#
# 87 LYS+ HN 88 VAL HN 3.46 (#peak 222 #SUP 0.94 #QF 0.94)
&rst
ixpk= 222, nxpk= 0, iat=1371,1393, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 87 LYS+ HN 88 VAL QG2 4.70 (#peak 227 #SUP 0.82 #QF 0.82)
&rst
ixpk= 227, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1403,1404,1405,
&end
#
# 87 LYS+ QB 87 LYS+ QE 3.97 (#peak 463)
&rst
ixpk= 463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1375,1376,
igr2=1384,1385,
&end
#
# 88 VAL HA 88 VAL QG1 3.23 (#peak 422 #SUP 1.00 #QF 0.99)
&rst
ixpk= 422, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1399,1400,1401,
&end
#
# 88 VAL HA 88 VAL QG2 3.18 (#peak 452 #SUP 0.99 #QF 0.99)
&rst
ixpk= 452, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1403,1404,1405,
&end
#
# 88 VAL HA 91 PHE HB2 3.81 (#peak 424 #SUP 0.99 #QF 0.99)
&rst
ixpk= 424, nxpk= 0, iat=1395,1439, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 88 VAL HA 91 PHE HB3 3.81 (#peak 425 #SUP 0.99 #QF 0.99)
&rst
ixpk= 425, nxpk= 0, iat=1395,1440, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 88 VAL HA 91 PHE HN 3.96 (#peak 429 #SUP 1.00)
&rst
ixpk= 429, nxpk= 0, iat=1395,1435, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 88 VAL HA 91 PHE QB 3.21 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1439,1440,
&end
#
# 88 VAL HA 91 PHE QD 4.51 (#peak 426 #SUP 0.96 #QF 0.96)
&rst
ixpk= 426, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1443,1451,
&end
#
# 88 VAL HB 89 CYS HN 3.64 (#peak 211 #SUP 1.00)
&rst
ixpk= 211, nxpk= 0, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 88 VAL HN 88 VAL HB 3.31 (#peak 217 #SUP 0.99 #QF 0.99)
&rst
ixpk= 217, nxpk= 0, iat=1393,1397, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 88 VAL HN 88 VAL QG1 3.90 (#peak 436 #SUP 0.90 #QF 0.90)
&rst
ixpk= 436, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1399,1400,1401,
&end
#
# 88 VAL HN 88 VAL QG2 3.20 (#peak 220 #SUP 1.00)
&rst
ixpk= 220, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1403,1404,1405,
&end
#
# 88 VAL HN 89 CYS HB2 5.37 (#peak 803 #SUP 0.73 #QF 0.73)
&rst
ixpk= 803, nxpk= 0, iat=1393,1413, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 88 VAL HN 89 CYS HN 3.41 (#peak 214 #SUP 1.00)
&rst
ixpk= 214, nxpk= 0, iat=1393,1409, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 88 VAL QG1 89 CYS HA 3.94 (#peak 400 #SUP 0.99 #QF 0.99)
&rst
ixpk= 400, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 89 CYS HB2 4.80 (#peak 419 #SUP 0.68 #QF 0.68)
&rst
ixpk= 419, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 89 CYS HN 3.69 (#peak 212 #SUP 0.99 #QF 0.99)
&rst
ixpk= 212, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 91 PHE HN 4.88 (#peak 195 #SUP 0.99 #QF 0.99)
&rst
ixpk= 195, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 91 PHE QB 4.56 (#peak 442)
&rst
ixpk= 442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1399,1400,1401,
igr2=1439,1440,
&end
#
# 88 VAL QG1 91 PHE QD 4.51 (#peak 370 #SUP 0.93 #QF 0.93)
&rst
ixpk= 370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1399,1400,1401,
igr2=1443,1451,
&end
#
# 88 VAL QG1 92 MET HB2 4.53 (#peak 443 #SUP 0.91 #QF 0.91)
&rst
ixpk= 443, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 92 MET HG2 3.76 (#peak 441 #SUP 0.99 #QF 0.99)
&rst
ixpk= 441, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 92 MET HG3 3.61 (#peak 317 #SUP 0.96 #QF 0.96)
&rst
ixpk= 317, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 92 MET HN 4.45 (#peak 176 #SUP 1.00)
&rst
ixpk= 176, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1399,1400,1401,
&end
#
# 88 VAL QG1 92 MET QE 2.82 (#peak 339 #SUP 0.58 #QF 0.58)
&rst
ixpk= 339, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1399,1400,1401,
igr2=1466,1467,1468,
&end
#
# 88 VAL QG2 89 CYS HN 4.43 (#peak 453 #SUP 0.99 #QF 0.99)
&rst
ixpk= 453, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1403,1404,1405,
&end
#
# 89 CYS HA 103 ILE QG2 3.77 (#peak 399 #SUP 0.95 #QF 0.81)
&rst
ixpk= 399, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1645,1646,1647,
&end
#
# 89 CYS HA 92 MET HB2 3.84 (#peak 401 #SUP 0.88 #QF 0.88)
&rst
ixpk= 401, nxpk= 0, iat=1411,1459, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 89 CYS HA 92 MET HG2 4.23 (#peak 402 #SUP 0.67 #QF 0.67)
&rst
ixpk= 402, nxpk= 0, iat=1411,1462, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 89 CYS HA 92 MET HN 4.17 (#peak 406 #SUP 0.99 #QF 0.99)
&rst
ixpk= 406, nxpk= 0, iat=1411,1455, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 89 CYS HA 93 ILE HN 4.74 (#peak 167 #SUP 0.94 #QF 0.94)
&rst
ixpk= 167, nxpk= 0, iat=1411,1472, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 89 CYS HB2 103 ILE QD1 4.61 (#peak 78 #SUP 0.95 #QF 0.87)
&rst
ixpk= 78, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1652,1653,1654,
&end
#
# 89 CYS HB2 103 ILE QG2 4.23 (#peak 70 #SUP 0.81 #QF 0.81)
&rst
ixpk= 70, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1645,1646,1647,
&end
#
# 89 CYS HB2 105 ILE QD1 3.53 (#peak 41 #SUP 0.87 #QF 0.87)
&rst
ixpk= 41, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1693,1694,1695,
&end
#
# 89 CYS HB2 90 GLU- HN 3.80 (#peak 412 #SUP 0.98 #QF 0.98)
&rst
ixpk= 412, nxpk= 0, iat=1413,1420, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 89 CYS HB3 105 ILE QD1 3.78 (#peak 42 #SUP 0.93 #QF 0.93)
&rst
ixpk= 42, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1693,1694,1695,
&end
#
# 89 CYS HB3 90 GLU- HN 3.49 (#peak 202 #SUP 0.97 #QF 0.97)
&rst
ixpk= 202, nxpk= 0, iat=1414,1420, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 89 CYS HN 105 ILE QD1 5.04 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1693,1694,1695,
&end
#
# 89 CYS HN 89 CYS HB2 3.29 (#peak 210 #SUP 1.00)
&rst
ixpk= 210, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 89 CYS HN 89 CYS HB3 3.32 (#peak 209 #SUP 0.99 #QF 0.99)
&rst
ixpk= 209, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 90 GLU- HA 90 GLU- QB 2.95 (#peak 389 #SUP 0.96 #QF 0.96)
&rst
ixpk= 389, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1424,1425,
&end
#
# 90 GLU- HA 90 GLU- QG 3.48 (#peak 398 #SUP 0.97 #QF 0.97)
&rst
ixpk= 398, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1427,1428,
&end
#
# 90 GLU- HA 92 MET HN 4.62 (#peak 387 #SUP 0.94 #QF 0.23)
&rst
ixpk= 387, nxpk= 0, iat=1422,1455, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 90 GLU- HA 93 ILE HB 3.30 (#peak 391 #SUP 0.89 #QF 0.89)
&rst
ixpk= 391, nxpk= 0, iat=1422,1476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 90 GLU- HA 93 ILE QD1 3.49 (#peak 284 #SUP 0.83 #QF 0.83)
&rst
ixpk= 284, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1485,1486,1487,
&end
#
# 90 GLU- HA 94 SER HN 4.91 (#peak 387 #SUP 0.94 #QF 0.23)
&rst
ixpk= 387, nxpk= 0, iat=1422,1491, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 90 GLU- HN 103 ILE QD1 5.28 (#peak 71 #SUP 0.43 #QF 0.43)
&rst
ixpk= 71, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1652,1653,1654,
&end
#
# 90 GLU- HN 90 GLU- QB 2.98 (#peak 205 #SUP 0.97 #QF 0.97)
&rst
ixpk= 205, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1424,1425,
&end
#
# 90 GLU- HN 90 GLU- QG 3.90 (#peak 397 #SUP 0.98 #QF 0.98)
&rst
ixpk= 397, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1427,1428,
&end
#
# 90 GLU- HN 91 PHE HN 3.44 (#peak 197 #SUP 0.97 #QF 0.97)
&rst
ixpk= 197, nxpk= 0, iat=1420,1435, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 90 GLU- QB 91 PHE HN 3.48 (#peak 194 #SUP 0.98 #QF 0.98)
&rst
ixpk= 194, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1424,1425,
&end
#
# 90 GLU- QB 92 MET HN 5.30 (#peak 395 #SUP 0.82 #QF 0.67)
&rst
ixpk= 395, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1424,1425,
&end
#
# 90 GLU- QB 94 SER HN 5.50 (#peak 395 #SUP 0.82 #QF 0.67)
&rst
ixpk= 395, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1424,1425,
&end
#
# 90 GLU- QG 91 PHE HN 4.42 (#peak 193 #SUP 0.96 #QF 0.96)
&rst
ixpk= 193, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1427,1428,
&end
#
# 90 GLU- QG 93 ILE QD1 4.15 (#peak 279 #SUP 0.87 #QF 0.87)
&rst
ixpk= 279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1427,1428,
igr2=1485,1486,1487,
&end
#
# 90 GLU- QG 93 ILE QG2 4.58 (#peak 280 #SUP 0.90 #QF 0.90)
&rst
ixpk= 280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1427,1428,
igr2=1478,1479,1480,
&end
#
# 90 GLU- QG 94 SER HN 5.19 (#peak 158 #SUP 0.98 #QF 0.96)
&rst
ixpk= 158, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1427,1428,
&end
#
# 90 GLU- QG 94 SER QB 4.14 (#peak 243 #SUP 0.62 #QF 0.62)
&rst
ixpk= 243, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1427,1428,
igr2=1495,1496,
&end
#
# 91 PHE HA 91 PHE QD 3.71 (#peak 342 #SUP 0.99 #QF 0.99)
&rst
ixpk= 342, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1443,1451,
&end
#
# 91 PHE HA 94 SER HN 3.89 (#peak 160 #SUP 0.26 #QF 0.26)
&rst
ixpk= 160, nxpk= 0, iat=1437,1491, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 91 PHE HA 95 GLN HB2 4.44 (#peak 346 #SUP 0.89 #QF 0.89)
&rst
ixpk= 346, nxpk= 0, iat=1437,1506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 91 PHE HA 95 GLN HN 4.03 (#peak 140 #SUP 0.80 #QF 0.80)
&rst
ixpk= 140, nxpk= 0, iat=1437,1502, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 91 PHE HA 95 GLN QG 3.71 (#peak 345 #SUP 0.98 #QF 0.98)
&rst
ixpk= 345, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1509,1510,
&end
#
# 91 PHE HB2 92 MET HN 4.18 (#peak 180 #SUP 0.96 #QF 0.96)
&rst
ixpk= 180, nxpk= 0, iat=1439,1455, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 91 PHE HB3 92 MET HN 4.18 (#peak 182 #SUP 0.99 #QF 0.99)
&rst
ixpk= 182, nxpk= 0, iat=1440,1455, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 91 PHE HN 91 PHE HB2 3.34 (#peak 192 #SUP 0.95 #QF 0.95)
&rst
ixpk= 192, nxpk= 0, iat=1435,1439, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 91 PHE HN 91 PHE HB3 3.34 (#peak 191 #SUP 0.98 #QF 0.98)
&rst
ixpk= 191, nxpk= 0, iat=1435,1440, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 91 PHE HN 91 PHE QD 4.51 (#peak 196 #SUP 1.00)
&rst
ixpk= 196, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1443,1451,
&end
#
# 91 PHE HN 92 MET HN 3.49 (#peak 198 #SUP 0.99 #QF 0.99)
&rst
ixpk= 198, nxpk= 0, iat=1435,1455, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 91 PHE HN 92 MET QE 5.50 (#peak 334 #SUP 0.97 #QF 0.97)
&rst
ixpk= 334, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1466,1467,1468,
&end
#
# 91 PHE HZ 95 GLN HB2 5.29 (#peak 1617 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1617, nxpk= 0, iat=1447,1506, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 91 PHE HZ 95 GLN HB3 5.10 (#peak 224 #SUP 1.00 #QF 0.99)
&rst
ixpk= 224, nxpk= 0, iat=1447,1507, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 91 PHE HZ 96 LEU QD2 3.92 (#peak 379 #SUP 0.93 #QF 0.93)
&rst
ixpk= 379, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1532,1533,1534,
&end
#
# 91 PHE QB 92 MET HN 3.41 (#peak 182)
&rst
ixpk= 182, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1439,1440,
&end
#
# 91 PHE QD 92 MET HA 4.01 (#peak 289 #SUP 0.99 #QF 0.99)
&rst
ixpk= 289, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1443,1451,
&end
#
# 91 PHE QD 92 MET HG2 4.18 (#peak 327 #SUP 0.99 #QF 0.99)
&rst
ixpk= 327, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1443,1451,
&end
#
# 91 PHE QD 92 MET HG3 4.00 (#peak 325 #SUP 0.99 #QF 0.99)
&rst
ixpk= 325, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1443,1451,
&end
#
# 91 PHE QD 92 MET HN 4.10 (#peak 186 #SUP 1.00)
&rst
ixpk= 186, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1443,1451,
&end
#
# 91 PHE QD 92 MET QE 3.79 (#peak 332 #SUP 0.97 #QF 0.97)
&rst
ixpk= 332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1443,1451,
igr2=1466,1467,1468,
&end
#
# 91 PHE QD 95 GLN HB2 4.52 (#peak 1618 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1618, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1443,1451,
&end
#
# 91 PHE QD 95 GLN HB3 5.01 (#peak 225 #SUP 1.00)
&rst
ixpk= 225, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1443,1451,
&end
#
# 91 PHE QD 95 GLN QG 3.68 (#peak 1660 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1443,1451,
igr2=1509,1510,
&end
#
# 91 PHE QD 96 LEU HG 4.56 (#peak 201 #SUP 0.99 #QF 0.99)
&rst
ixpk= 201, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1443,1451,
&end
#
# 91 PHE QD 96 LEU QD1 4.08 (#peak 179 #SUP 0.61 #QF 0.61)
&rst
ixpk= 179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1443,1451,
igr2=1528,1529,1530,
&end
#
# 91 PHE QE 92 MET HA 4.63 (#peak 300 #SUP 0.99 #QF 0.99)
&rst
ixpk= 300, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1445,1449,
&end
#
# 91 PHE QE 92 MET HG2 4.81 (#peak 328 #SUP 0.99 #QF 0.99)
&rst
ixpk= 328, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1445,1449,
&end
#
# 91 PHE QE 92 MET QE 4.03 (#peak 331 #SUP 0.98 #QF 0.98)
&rst
ixpk= 331, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1445,1449,
igr2=1466,1467,1468,
&end
#
# 91 PHE QE 95 GLN HB2 4.77 (#peak 1617 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1617, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1445,1449,
&end
#
# 91 PHE QE 95 GLN HB3 4.52 (#peak 376 #SUP 0.99 #QF 0.99)
&rst
ixpk= 376, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1445,1449,
&end
#
# 91 PHE QE 95 GLN QG 3.89 (#peak 1659 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1445,1449,
igr2=1509,1510,
&end
#
# 91 PHE QE 96 LEU HG 4.17 (#peak 202 #SUP 1.00)
&rst
ixpk= 202, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1445,1449,
&end
#
# 91 PHE QE 96 LEU QD1 3.35 (#peak 178 #SUP 0.95 #QF 0.95)
&rst
ixpk= 178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1445,1449,
igr2=1528,1529,1530,
&end
#
# 91 PHE QE 96 LEU QD2 3.58 (#peak 373 #SUP 0.98 #QF 0.98)
&rst
ixpk= 373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1445,1449,
igr2=1532,1533,1534,
&end
#
# 92 MET HA 92 MET HG2 3.59 (#peak 324 #SUP 0.98 #QF 0.98)
&rst
ixpk= 324, nxpk= 0, iat=1457,1462, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 92 MET HA 92 MET HG3 3.84 (#peak 323 #SUP 0.96 #QF 0.96)
&rst
ixpk= 323, nxpk= 0, iat=1457,1463, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 92 MET HA 96 LEU HB2 3.57 (#peak 294 #SUP 0.99 #QF 0.99)
&rst
ixpk= 294, nxpk= 0, iat=1457,1523, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 92 MET HA 96 LEU HB3 4.49 (#peak 296 #SUP 1.00)
&rst
ixpk= 296, nxpk= 0, iat=1457,1524, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 92 MET HA 96 LEU HG 3.76 (#peak 297 #SUP 1.00)
&rst
ixpk= 297, nxpk= 0, iat=1457,1526, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 92 MET HA 96 LEU HN 4.03 (#peak 125 #SUP 1.00)
&rst
ixpk= 125, nxpk= 0, iat=1457,1519, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 92 MET HA 96 LEU QD1 3.58 (#peak 299 #SUP 1.00)
&rst
ixpk= 299, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1528,1529,1530,
&end
#
# 92 MET HA 96 LEU QD2 4.35 (#peak 191 #SUP 0.83 #QF 0.83)
&rst
ixpk= 191, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1532,1533,1534,
&end
#
# 92 MET HA 98 LEU HN 5.06 (#peak 106 #SUP 0.99 #QF 0.99)
&rst
ixpk= 106, nxpk= 0, iat=1457,1545, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 92 MET HA 98 LEU QD1 4.05 (#peak 298 #SUP 0.90 #QF 0.90)
&rst
ixpk= 298, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1554,1555,1556,
&end
#
# 92 MET HB2 103 ILE QD1 3.52 (#peak 80 #SUP 0.94 #QF 0.94)
&rst
ixpk= 80, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1652,1653,1654,
&end
#
# 92 MET HB2 93 ILE HN 3.82 (#peak 169 #SUP 0.97 #QF 0.97)
&rst
ixpk= 169, nxpk= 0, iat=1459,1472, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 92 MET HB2 94 SER HN 5.50 (#peak 158 #SUP 0.98 #QF 0.96)
&rst
ixpk= 158, nxpk= 0, iat=1459,1491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 MET HB2 98 LEU HB2 4.60 (#peak 310 #SUP 0.92 #QF 0.92)
&rst
ixpk= 310, nxpk= 0, iat=1459,1549, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 92 MET HB2 98 LEU HB3 5.26 (#peak 156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 156, nxpk= 0, iat=1459,1550, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 92 MET HB2 98 LEU QD1 4.02 (#peak 172 #SUP 0.98 #QF 0.98)
&rst
ixpk= 172, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1554,1555,1556,
&end
#
# 92 MET HB3 103 ILE QD1 3.36 (#peak 82 #SUP 0.95 #QF 0.79)
&rst
ixpk= 82, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1652,1653,1654,
&end
#
# 92 MET HB3 93 ILE HN 4.46 (#peak 305 #SUP 0.92 #QF 0.92)
&rst
ixpk= 305, nxpk= 0, iat=1460,1472, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 92 MET HB3 98 LEU HB2 4.10 (#peak 153 #SUP 0.91 #QF 0.91)
&rst
ixpk= 153, nxpk= 0, iat=1460,1549, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 92 MET HB3 98 LEU HB3 4.50 (#peak 154 #SUP 0.95 #QF 0.95)
&rst
ixpk= 154, nxpk= 0, iat=1460,1550, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 MET HB3 98 LEU HN 4.78 (#peak 108 #SUP 0.84 #QF 0.84)
&rst
ixpk= 108, nxpk= 0, iat=1460,1545, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 92 MET HB3 98 LEU QD1 3.53 (#peak 311 #SUP 1.00 #QF 0.97)
&rst
ixpk= 311, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1554,1555,1556,
&end
#
# 92 MET HG2 103 ILE QD1 4.08 (#peak 79 #SUP 0.92 #QF 0.92)
&rst
ixpk= 79, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1652,1653,1654,
&end
#
# 92 MET HG2 93 ILE HN 4.71 (#peak 329 #SUP 0.99 #QF 0.99)
&rst
ixpk= 329, nxpk= 0, iat=1462,1472, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 92 MET HG2 96 LEU QD1 3.77 (#peak 313 #SUP 0.89 #QF 0.89)
&rst
ixpk= 313, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1528,1529,1530,
&end
#
# 92 MET HG2 98 LEU QD1 4.57 (#peak 171 #SUP 1.00)
&rst
ixpk= 171, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1554,1555,1556,
&end
#
# 92 MET HG3 103 ILE QD1 4.27 (#peak 77 #SUP 0.99 #QF 0.99)
&rst
ixpk= 77, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1652,1653,1654,
&end
#
# 92 MET HG3 92 MET QE 3.66 (#peak 336 #SUP 0.99 #QF 0.99)
&rst
ixpk= 336, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1466,1467,1468,
&end
#
# 92 MET HG3 96 LEU QD1 4.51 (#peak 318 #SUP 0.68 #QF 0.68)
&rst
ixpk= 318, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1528,1529,1530,
&end
#
# 92 MET HG3 98 LEU QD1 4.41 (#peak 170 #SUP 1.00)
&rst
ixpk= 170, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1554,1555,1556,
&end
#
# 92 MET HN 103 ILE QD1 4.40 (#peak 175 #SUP 0.99 #QF 0.99)
&rst
ixpk= 175, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1652,1653,1654,
&end
#
# 92 MET HN 92 MET HB2 3.43 (#peak 178 #SUP 0.98 #QF 0.98)
&rst
ixpk= 178, nxpk= 0, iat=1455,1459, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 92 MET HN 92 MET HB3 3.77 (#peak 177 #SUP 0.98 #QF 0.98)
&rst
ixpk= 177, nxpk= 0, iat=1455,1460, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 92 MET HN 92 MET HG2 3.57 (#peak 330 #SUP 0.99 #QF 0.99)
&rst
ixpk= 330, nxpk= 0, iat=1455,1462, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 92 MET HN 92 MET HG3 3.53 (#peak 326 #SUP 0.98 #QF 0.98)
&rst
ixpk= 326, nxpk= 0, iat=1455,1463, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 92 MET HN 92 MET QE 4.48 (#peak 333 #SUP 1.00)
&rst
ixpk= 333, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1466,1467,1468,
&end
#
# 92 MET HN 93 ILE HG13 4.60 (#peak 265 #SUP 0.92 #QF 0.76)
&rst
ixpk= 265, nxpk= 0, iat=1455,1483, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 92 MET HN 93 ILE HN 3.52 (#peak 164 #SUP 0.99 #QF 0.88)
&rst
ixpk= 164, nxpk= 0, iat=1455,1472, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 93 ILE HA 93 ILE HG12 3.79 (#peak 262 #SUP 0.99 #QF 0.99)
&rst
ixpk= 262, nxpk= 0, iat=1474,1482, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 ILE HA 93 ILE HG13 3.72 (#peak 252 #SUP 1.00)
&rst
ixpk= 252, nxpk= 0, iat=1474,1483, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 93 ILE HA 93 ILE QD1 4.07 (#peak 254 #SUP 0.89 #QF 0.89)
&rst
ixpk= 254, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1485,1486,1487,
&end
#
# 93 ILE HA 93 ILE QG2 3.17 (#peak 270 #SUP 0.99 #QF 0.99)
&rst
ixpk= 270, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1478,1479,1480,
&end
#
# 93 ILE HA 97 GLY HN 4.47 (#peak 118 #SUP 0.78 #QF 0.78)
&rst
ixpk= 118, nxpk= 0, iat=1474,1538, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 93 ILE HA 98 LEU HB2 4.26 (#peak 253 #SUP 0.99 #QF 0.99)
&rst
ixpk= 253, nxpk= 0, iat=1474,1549, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 93 ILE HA 98 LEU HB3 4.75 (#peak 152 #SUP 0.96 #QF 0.96)
&rst
ixpk= 152, nxpk= 0, iat=1474,1550, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 93 ILE HA 98 LEU HN 3.51 (#peak 104 #SUP 0.99 #QF 0.99)
&rst
ixpk= 104, nxpk= 0, iat=1474,1545, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 93 ILE HB 93 ILE QD1 3.43 (#peak 260 #SUP 0.99 #QF 0.99)
&rst
ixpk= 260, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1485,1486,1487,
&end
#
# 93 ILE HB 94 SER HA 4.61 (#peak 237 #SUP 0.95 #QF 0.95)
&rst
ixpk= 237, nxpk= 0, iat=1476,1493, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 93 ILE HB 94 SER HN 3.29 (#peak 156 #SUP 0.99 #QF 0.99)
&rst
ixpk= 156, nxpk= 0, iat=1476,1491, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 93 ILE HB 94 SER QB 4.47 (#peak 245 #SUP 0.89 #QF 0.89)
&rst
ixpk= 245, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1495,1496,
&end
#
# 93 ILE HG13 103 ILE QD1 3.07 (#peak 81 #SUP 1.00 #QF 0.30)
&rst
ixpk= 81, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1652,1653,1654,
&end
#
# 93 ILE HG13 94 SER HN 4.55 (#peak 155 #SUP 1.00)
&rst
ixpk= 155, nxpk= 0, iat=1483,1491, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 93 ILE HN 103 ILE QD1 4.47 (#peak 72 #SUP 0.97 #QF 0.97)
&rst
ixpk= 72, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1652,1653,1654,
&end
#
# 93 ILE HN 93 ILE HB 3.14 (#peak 170 #SUP 0.99 #QF 0.99)
&rst
ixpk= 170, nxpk= 0, iat=1472,1476, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 93 ILE HN 93 ILE HG12 3.89 (#peak 174 #SUP 0.97 #QF 0.97)
&rst
ixpk= 174, nxpk= 0, iat=1472,1482, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 93 ILE HN 93 ILE HG13 3.37 (#peak 171 #SUP 1.00)
&rst
ixpk= 171, nxpk= 0, iat=1472,1483, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 93 ILE HN 93 ILE QD1 3.66 (#peak 285 #SUP 0.99 #QF 0.99)
&rst
ixpk= 285, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1485,1486,1487,
&end
#
# 93 ILE HN 93 ILE QG2 3.84 (#peak 269 #SUP 0.99 #QF 0.99)
&rst
ixpk= 269, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1478,1479,1480,
&end
#
# 93 ILE HN 94 SER HN 3.44 (#peak 162 #SUP 0.96 #QF 0.96)
&rst
ixpk= 162, nxpk= 0, iat=1472,1491, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 93 ILE HN 94 SER QB 4.64 (#peak 241 #SUP 0.98 #QF 0.98)
&rst
ixpk= 241, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1495,1496,
&end
#
# 93 ILE HN 95 GLN HN 4.53 (#peak 147 #SUP 0.95 #QF 0.95)
&rst
ixpk= 147, nxpk= 0, iat=1472,1502, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 93 ILE QD1 100 LYS+ HA 3.24 (#peak 122 #SUP 0.69 #QF 0.69)
&rst
ixpk= 122, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1485,1486,1487,
&end
#
# 93 ILE QD1 100 LYS+ HN 4.79 (#peak 79 #SUP 0.74 #QF 0.74)
&rst
ixpk= 79, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1485,1486,1487,
&end
#
# 93 ILE QD1 100 LYS+ QB 2.83 (#peak 276 #SUP 0.57 #QF 0.57)
&rst
ixpk= 276, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1485,1486,1487,
igr2=1585,1586,
&end
#
# 93 ILE QD1 100 LYS+ QE 4.01 (#peak 282 #SUP 0.54 #QF 0.54)
&rst
ixpk= 282, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1485,1486,1487,
igr2=1594,1595,
&end
#
# 93 ILE QD1 94 SER HN 5.02 (#peak 153 #SUP 0.94 #QF 0.94)
&rst
ixpk= 153, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1485,1486,1487,
&end
#
# 93 ILE QG2 100 LYS+ HA 3.96 (#peak 272 #SUP 0.82 #QF 0.82)
&rst
ixpk= 272, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1478,1479,1480,
&end
#
# 93 ILE QG2 94 SER HA 4.00 (#peak 273 #SUP 0.99 #QF 0.99)
&rst
ixpk= 273, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1478,1479,1480,
&end
#
# 93 ILE QG2 94 SER HN 4.02 (#peak 154 #SUP 1.00)
&rst
ixpk= 154, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1478,1479,1480,
&end
#
# 93 ILE QG2 94 SER QB 4.43 (#peak 246 #SUP 0.97 #QF 0.97)
&rst
ixpk= 246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1478,1479,1480,
igr2=1495,1496,
&end
#
# 94 SER HN 94 SER QB 3.20 (#peak 239 #SUP 0.99 #QF 0.99)
&rst
ixpk= 239, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1495,1496,
&end
#
# 94 SER HN 95 GLN HN 3.39 (#peak 163 #SUP 0.99 #QF 0.99)
&rst
ixpk= 163, nxpk= 0, iat=1491,1502, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 94 SER HN 95 GLN QG 4.52 (#peak 1656 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1656, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1509,1510,
&end
#
# 94 SER HN 96 LEU HN 4.79 (#peak 136 #SUP 0.83 #QF 0.83)
&rst
ixpk= 136, nxpk= 0, iat=1491,1519, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 94 SER QB 95 GLN HB2 4.90 (#peak 247 #SUP 0.99 #QF 0.99)
&rst
ixpk= 247, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1495,1496,
&end
#
# 94 SER QB 95 GLN HE21 4.75 (#peak 150 #SUP 1.00)
&rst
ixpk= 150, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1495,1496,
&end
#
# 94 SER QB 95 GLN HE22 4.75 (#peak 152 #SUP 1.00)
&rst
ixpk= 152, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1495,1496,
&end
#
# 94 SER QB 95 GLN HN 3.72 (#peak 240 #SUP 0.99 #QF 0.99)
&rst
ixpk= 240, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1495,1496,
&end
#
# 94 SER QB 95 GLN QE2 3.99 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1495,1496,
igr2=1514,1515,
&end
#
# 94 SER QB 95 GLN QG 3.93 (#peak 244 #SUP 0.97 #QF 0.97)
&rst
ixpk= 244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1495,1496,
igr2=1509,1510,
&end
#
# 95 GLN HA 95 GLN QG 3.45 (#peak 231 #SUP 0.98 #QF 0.98)
&rst
ixpk= 231, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1509,1510,
&end
#
# 95 GLN HA 97 GLY HN 4.75 (#peak 119 #SUP 0.94 #QF 0.58)
&rst
ixpk= 119, nxpk= 0, iat=1504,1538, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 95 GLN HB2 96 LEU HN 3.79 (#peak 132 #SUP 0.91 #QF 0.91)
&rst
ixpk= 132, nxpk= 0, iat=1506,1519, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 95 GLN HB2 97 GLY HN 5.12 (#peak 115 #SUP 0.99 #QF 0.91)
&rst
ixpk= 115, nxpk= 0, iat=1506,1538, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 95 GLN HB3 96 LEU HN 4.16 (#peak 129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 129, nxpk= 0, iat=1507,1519, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 95 GLN HN 95 GLN HB2 3.47 (#peak 137 #SUP 0.99 #QF 0.99)
&rst
ixpk= 137, nxpk= 0, iat=1502,1506, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 95 GLN HN 95 GLN HB3 3.85 (#peak 138 #SUP 1.00)
&rst
ixpk= 138, nxpk= 0, iat=1502,1507, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 95 GLN HN 95 GLN QE2 4.71 (#peak 146)
&rst
ixpk= 146, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1514,1515,
&end
#
# 95 GLN HN 95 GLN QG 3.45 (#peak 1657 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1657, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1509,1510,
&end
#
# 95 GLN HN 96 LEU HN 3.24 (#peak 144 #SUP 0.98 #QF 0.98)
&rst
ixpk= 144, nxpk= 0, iat=1502,1519, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 95 GLN HN 97 GLY HN 4.36 (#peak 145 #SUP 0.99 #QF 0.99)
&rst
ixpk= 145, nxpk= 0, iat=1502,1538, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 95 GLN QG 96 LEU HN 4.65 (#peak 126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 126, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1509,1510,
&end
#
# 96 LEU HA 96 LEU HG 4.25 (#peak 199 #SUP 0.94 #QF 0.94)
&rst
ixpk= 199, nxpk= 0, iat=1521,1526, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 96 LEU HA 96 LEU QD1 4.09 (#peak 181 #SUP 0.96 #QF 0.96)
&rst
ixpk= 181, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1528,1529,1530,
&end
#
# 96 LEU HA 96 LEU QD2 2.97 (#peak 192 #SUP 0.92 #QF 0.92)
&rst
ixpk= 192, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1532,1533,1534,
&end
#
# 96 LEU HB2 96 LEU QD1 3.26 (#peak 186 #SUP 0.99 #QF 0.99)
&rst
ixpk= 186, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1528,1529,1530,
&end
#
# 96 LEU HB2 96 LEU QD2 3.57 (#peak 190 #SUP 0.99 #QF 0.99)
&rst
ixpk= 190, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1532,1533,1534,
&end
#
# 96 LEU HB2 97 GLY HN 4.58 (#peak 117 #SUP 0.99 #QF 0.99)
&rst
ixpk= 117, nxpk= 0, iat=1523,1538, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 96 LEU HB2 98 LEU HA 4.93 (#peak 140 #SUP 0.90 #QF 0.76)
&rst
ixpk= 140, nxpk= 0, iat=1523,1547, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 96 LEU HB2 98 LEU HN 3.90 (#peak 203 #SUP 0.74 #QF 0.74)
&rst
ixpk= 203, nxpk= 0, iat=1523,1545, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 96 LEU HB3 96 LEU QD1 3.29 (#peak 187 #SUP 0.93 #QF 0.93)
&rst
ixpk= 187, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1528,1529,1530,
&end
#
# 96 LEU HB3 96 LEU QD2 3.48 (#peak 1054 #SUP 1.00 #QF 0.98)
&rst
ixpk= 1054, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1532,1533,1534,
&end
#
# 96 LEU HB3 97 GLY HN 4.67 (#peak 116 #SUP 1.00)
&rst
ixpk= 116, nxpk= 0, iat=1524,1538, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 96 LEU HB3 98 LEU HN 4.29 (#peak 1043 #SUP 0.80 #QF 0.64)
&rst
ixpk= 1043, nxpk= 0, iat=1524,1545, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 96 LEU HB3 98 LEU QD1 3.64 (#peak 1053 #SUP 0.75 #QF 0.37)
&rst
ixpk= 1053, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1554,1555,1556,
&end
#
# 96 LEU HN 96 LEU HB2 3.61 (#peak 128 #SUP 0.99 #QF 0.99)
&rst
ixpk= 128, nxpk= 0, iat=1519,1523, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 96 LEU HN 96 LEU HB3 3.97 (#peak 127 #SUP 1.00)
&rst
ixpk= 127, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 96 LEU HN 96 LEU HG 3.65 (#peak 131 #SUP 0.99 #QF 0.99)
&rst
ixpk= 131, nxpk= 0, iat=1519,1526, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 96 LEU HN 96 LEU QD1 4.55 (#peak 180 #SUP 0.94 #QF 0.94)
&rst
ixpk= 180, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1528,1529,1530,
&end
#
# 96 LEU HN 96 LEU QD2 4.01 (#peak 130 #SUP 1.00 #QF 0.96)
&rst
ixpk= 130, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1532,1533,1534,
&end
#
# 96 LEU HN 97 GLY HN 3.27 (#peak 120 #SUP 0.99 #QF 0.99)
&rst
ixpk= 120, nxpk= 0, iat=1519,1538, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 96 LEU HN 97 GLY QA 4.72 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1540,1541,
&end
#
# 96 LEU HN 98 LEU HN 4.37 (#peak 134 #SUP 1.00)
&rst
ixpk= 134, nxpk= 0, iat=1519,1545, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 96 LEU QD2 97 GLY HN 4.89 (#peak 114 #SUP 0.96 #QF 0.96)
&rst
ixpk= 114, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1532,1533,1534,
&end
#
# 97 GLY HN 98 LEU HB2 5.50 (#peak 115 #SUP 0.99 #QF 0.91)
&rst
ixpk= 115, nxpk= 0, iat=1538,1549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLY HN 98 LEU HN 3.44 (#peak 121 #SUP 1.00)
&rst
ixpk= 121, nxpk= 0, iat=1538,1545, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 98 LEU HA 98 LEU HG 3.96 (#peak 143 #SUP 1.00)
&rst
ixpk= 143, nxpk= 0, iat=1547,1552, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 98 LEU HA 98 LEU QD1 4.24 (#peak 167 #SUP 1.00)
&rst
ixpk= 167, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1554,1555,1556,
&end
#
# 98 LEU HA 98 LEU QD2 3.02 (#peak 164 #SUP 0.96 #QF 0.96)
&rst
ixpk= 164, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1558,1559,1560,
&end
#
# 98 LEU HA 99 GLN HN 3.12 (#peak 88 #SUP 0.97 #QF 0.97)
&rst
ixpk= 88, nxpk= 0, iat=1547,1564, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 98 LEU HA 99 GLN QB 5.21 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1568,1569,
&end
#
# 98 LEU HA 99 GLN QG 4.58 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1571,1572,
&end
#
# 98 LEU HB2 99 GLN HN 4.25 (#peak 146 #SUP 1.00)
&rst
ixpk= 146, nxpk= 0, iat=1549,1564, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 98 LEU HB3 98 LEU QD1 3.81 (#peak 1053 #SUP 0.75 #QF 0.37)
&rst
ixpk= 1053, nxpk= 0, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1554,1555,1556,
&end
#
# 98 LEU HB3 99 GLN HN 3.45 (#peak 94 #SUP 0.96 #QF 0.96)
&rst
ixpk= 94, nxpk= 0, iat=1550,1564, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 98 LEU HG 99 GLN HN 5.06 (#peak 158 #SUP 0.97 #QF 0.97)
&rst
ixpk= 158, nxpk= 0, iat=1552,1564, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 98 LEU HN 98 LEU HB2 3.40 (#peak 111 #SUP 0.99 #QF 0.99)
&rst
ixpk= 111, nxpk= 0, iat=1545,1549, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 98 LEU HN 98 LEU HB3 3.60 (#peak 110 #SUP 0.97 #QF 0.97)
&rst
ixpk= 110, nxpk= 0, iat=1545,1550, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 98 LEU HN 98 LEU HG 3.49 (#peak 109 #SUP 0.99 #QF 0.99)
&rst
ixpk= 109, nxpk= 0, iat=1545,1552, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 98 LEU HN 98 LEU QD1 4.00 (#peak 113 #SUP 0.98 #QF 0.98)
&rst
ixpk= 113, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1554,1555,1556,
&end
#
# 98 LEU HN 98 LEU QD2 3.98 (#peak 161 #SUP 1.00)
&rst
ixpk= 161, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1558,1559,1560,
&end
#
# 98 LEU HN 99 GLN HN 4.66 (#peak 102 #SUP 0.94 #QF 0.94)
&rst
ixpk= 102, nxpk= 0, iat=1545,1564, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 98 LEU QD1 99 GLN HN 5.06 (#peak 97 #SUP 1.00)
&rst
ixpk= 97, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1554,1555,1556,
&end
#
# 98 LEU QD2 102 ASN HB2 5.39 (#peak 93 #SUP 0.99 #QF 0.58)
&rst
ixpk= 93, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1558,1559,1560,
&end
#
# 98 LEU QD2 102 ASN HB3 5.32 (#peak 94 #SUP 0.97 #QF 0.86)
&rst
ixpk= 94, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1558,1559,1560,
&end
#
# 98 LEU QD2 99 GLN HN 3.98 (#peak 160 #SUP 1.00)
&rst
ixpk= 160, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1558,1559,1560,
&end
#
# 99 GLN HA 100 LYS+ HN 3.33 (#peak 85 #SUP 0.90 #QF 0.90)
&rst
ixpk= 85, nxpk= 0, iat=1566,1581, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 99 GLN HA 99 GLN QG 3.65 (#peak 214)
&rst
ixpk= 214, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1571,1572,
&end
#
# 99 GLN HB2 102 ASN HN 4.70 (#peak 67 #SUP 0.99 #QF 0.93)
&rst
ixpk= 67, nxpk= 0, iat=1568,1625, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 99 GLN HB3 102 ASN HN 4.70 (#peak 50 #SUP 0.88 #QF 0.88)
&rst
ixpk= 50, nxpk= 0, iat=1569,1625, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 99 GLN HG2 100 LYS+ HN 5.50 (#peak 83 #SUP 0.89 #QF 0.56)
&rst
ixpk= 83, nxpk= 0, iat=1571,1581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLN HG3 100 LYS+ HN 5.50 (#peak 83 #SUP 0.89 #QF 0.56)
&rst
ixpk= 83, nxpk= 0, iat=1572,1581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLN HN 100 LYS+ HN 5.21 (#peak 799 #SUP 0.99 #QF 0.99)
&rst
ixpk= 799, nxpk= 0, iat=1564,1581, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 99 GLN HN 102 ASN HB2 4.51 (#peak 93 #SUP 0.97 #QF 0.97)
&rst
ixpk= 93, nxpk= 0, iat=1564,1629, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 99 GLN HN 102 ASN HB3 5.50 (#peak 99 #SUP 0.97 #QF 0.91)
&rst
ixpk= 99, nxpk= 0, iat=1564,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLN HN 102 ASN QD2 5.02 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1634,1635,
&end
#
# 99 GLN HN 99 GLN HB2 3.89 (#peak 90 #SUP 0.97 #QF 0.97)
&rst
ixpk= 90, nxpk= 0, iat=1564,1568, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 99 GLN HN 99 GLN HB3 3.89 (#peak 91 #SUP 0.99 #QF 0.99)
&rst
ixpk= 91, nxpk= 0, iat=1564,1569, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 99 GLN HN 99 GLN QB 3.18 (#peak 90)
&rst
ixpk= 90, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1568,1569,
&end
#
# 99 GLN HN 99 GLN QE2 5.11 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1576,1577,
&end
#
# 99 GLN HN 99 GLN QG 3.54 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1571,1572,
&end
#
# 99 GLN QB 100 LYS+ HN 4.22 (#peak 82)
&rst
ixpk= 82, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1568,1569,
&end
#
# 99 GLN QB 101 LYS+ HN 4.21 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1568,1569,
&end
#
# 99 GLN QB 101 LYS+ QG 3.54 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1568,1569,
igr2=1610,1611,
&end
#
# 99 GLN QB 102 ASN HB2 4.71 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1568,1569,
&end
#
# 99 GLN QB 102 ASN HN 3.85 (#peak 67)
&rst
ixpk= 67, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1568,1569,
&end
#
# 99 GLN QB 102 ASN QD2 3.86 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1568,1569,
igr2=1634,1635,
&end
#
# 100 LYS+ HA 100 LYS+ HD2 4.33 (#peak 130 #SUP 0.85 #QF 0.85)
&rst
ixpk= 130, nxpk= 0, iat=1583,1591, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 100 LYS+ HA 100 LYS+ HD3 4.33 (#peak 129 #SUP 0.93 #QF 0.93)
&rst
ixpk= 129, nxpk= 0, iat=1583,1592, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 100 LYS+ HA 100 LYS+ HG2 4.22 (#peak 123 #SUP 0.96 #QF 0.96)
&rst
ixpk= 123, nxpk= 0, iat=1583,1588, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 100 LYS+ HA 100 LYS+ HG3 4.22 (#peak 128 #SUP 0.99 #QF 0.99)
&rst
ixpk= 128, nxpk= 0, iat=1583,1589, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 100 LYS+ HA 100 LYS+ QD 3.72 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1591,1592,
&end
#
# 100 LYS+ HA 100 LYS+ QG 3.54 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1588,1589,
&end
#
# 100 LYS+ HA 102 ASN HN 4.22 (#peak 1653 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1653, nxpk= 0, iat=1583,1625, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 100 LYS+ HA 103 ILE HB 3.99 (#peak 89 #SUP 0.91 #QF 0.91)
&rst
ixpk= 89, nxpk= 0, iat=1583,1643, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 100 LYS+ HA 103 ILE HG13 4.21 (#peak 90 #SUP 0.97 #QF 0.97)
&rst
ixpk= 90, nxpk= 0, iat=1583,1650, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 100 LYS+ HA 103 ILE HN 4.27 (#peak 38 #SUP 0.96 #QF 0.96)
&rst
ixpk= 38, nxpk= 0, iat=1583,1639, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 100 LYS+ HA 103 ILE QD1 3.31 (#peak 76 #SUP 0.69 #QF 0.69)
&rst
ixpk= 76, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1652,1653,1654,
&end
#
# 100 LYS+ HN 100 LYS+ QB 3.38 (#peak 81 #SUP 1.00)
&rst
ixpk= 81, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1585,1586,
&end
#
# 100 LYS+ HN 100 LYS+ QG 4.79 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1588,1589,
&end
#
# 100 LYS+ HN 101 LYS+ HN 4.46 (#peak 86 #SUP 0.99 #QF 0.99)
&rst
ixpk= 86, nxpk= 0, iat=1581,1603, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 100 LYS+ HN 101 LYS+ QG 5.34 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1610,1611,
&end
#
# 100 LYS+ QB 101 LYS+ HN 3.57 (#peak 74 #SUP 0.93 #QF 0.47)
&rst
ixpk= 74, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1585,1586,
&end
#
# 101 LYS+ HA 101 LYS+ QD 4.51 (#peak 108 #SUP 0.99 #QF 0.99)
&rst
ixpk= 108, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1613,1614,
&end
#
# 101 LYS+ HG2 101 LYS+ QE 3.98 (#peak 115 #SUP 0.99 #QF 0.99)
&rst
ixpk= 115, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1616,1617,
&end
#
# 101 LYS+ HG2 102 ASN HN 4.15 (#peak 63 #SUP 0.95 #QF 0.95)
&rst
ixpk= 63, nxpk= 0, iat=1610,1625, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 101 LYS+ HG3 101 LYS+ QE 3.98 (#peak 116 #SUP 0.99 #QF 0.99)
&rst
ixpk= 116, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1616,1617,
&end
#
# 101 LYS+ HG3 102 ASN HN 4.15 (#peak 64 #SUP 0.95 #QF 0.95)
&rst
ixpk= 64, nxpk= 0, iat=1611,1625, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 101 LYS+ HN 101 LYS+ HG2 4.39 (#peak 75 #SUP 0.75 #QF 0.75)
&rst
ixpk= 75, nxpk= 0, iat=1603,1610, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 101 LYS+ HN 101 LYS+ HG3 4.39 (#peak 76 #SUP 0.98 #QF 0.98)
&rst
ixpk= 76, nxpk= 0, iat=1603,1611, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 101 LYS+ HN 101 LYS+ QB 3.54 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1607,1608,
&end
#
# 101 LYS+ HN 101 LYS+ QD 4.60 (#peak 77 #SUP 0.98 #QF 0.98)
&rst
ixpk= 77, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1613,1614,
&end
#
# 101 LYS+ HN 101 LYS+ QG 3.60 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1610,1611,
&end
#
# 101 LYS+ HN 102 ASN HN 3.86 (#peak 51 #SUP 0.99 #QF 0.99)
&rst
ixpk= 51, nxpk= 0, iat=1603,1625, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 101 LYS+ QB 102 ASN HN 4.06 (#peak 66)
&rst
ixpk= 66, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1607,1608,
&end
#
# 101 LYS+ QG 102 ASN QD2 4.34 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1610,1611,
igr2=1634,1635,
&end
#
# 102 ASN HA 102 ASN QD2 3.75 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1634,1635,
&end
#
# 102 ASN HB2 102 ASN QD2 3.53 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1634,1635,
&end
#
# 102 ASN HB2 103 ILE HG13 4.87 (#peak 92 #SUP 0.79 #QF 0.79)
&rst
ixpk= 92, nxpk= 0, iat=1629,1650, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 102 ASN HB2 103 ILE HN 4.56 (#peak 39 #SUP 1.00)
&rst
ixpk= 39, nxpk= 0, iat=1629,1639, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 102 ASN HB2 103 ILE QD1 5.24 (#peak 78 #SUP 0.95 #QF 0.87)
&rst
ixpk= 78, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1652,1653,1654,
&end
#
# 102 ASN HB3 103 ILE HN 5.35 (#peak 44 #SUP 0.89 #QF 0.54)
&rst
ixpk= 44, nxpk= 0, iat=1630,1639, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 102 ASN HN 102 ASN HB2 3.36 (#peak 49 #SUP 0.95 #QF 0.95)
&rst
ixpk= 49, nxpk= 0, iat=1625,1629, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 102 ASN HN 102 ASN HB3 3.85 (#peak 48 #SUP 0.99 #QF 0.99)
&rst
ixpk= 48, nxpk= 0, iat=1625,1630, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 102 ASN HN 103 ILE HG12 5.50 (#peak 62 #SUP 0.76 #QF 0.76)
&rst
ixpk= 62, nxpk= 0, iat=1625,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 ASN HN 103 ILE HG13 4.42 (#peak 65 #SUP 0.91 #QF 0.91)
&rst
ixpk= 65, nxpk= 0, iat=1625,1650, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 102 ASN HN 103 ILE QD1 5.18 (#peak 68 #SUP 0.68 #QF 0.68)
&rst
ixpk= 68, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1652,1653,1654,
&end
#
# 103 ILE HA 103 ILE HG12 4.20 (#peak 84 #SUP 0.97 #QF 0.97)
&rst
ixpk= 84, nxpk= 0, iat=1641,1649, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 103 ILE HA 103 ILE HG13 3.85 (#peak 86 #SUP 0.99 #QF 0.99)
&rst
ixpk= 86, nxpk= 0, iat=1641,1650, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 103 ILE HA 103 ILE QD1 4.34 (#peak 75 #SUP 0.99 #QF 0.99)
&rst
ixpk= 75, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1652,1653,1654,
&end
#
# 103 ILE HA 103 ILE QG2 3.39 (#peak 68 #SUP 0.86 #QF 0.86)
&rst
ixpk= 68, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1645,1646,1647,
&end
#
# 103 ILE HA 104 LYS+ HN 3.06 (#peak 32 #SUP 0.83 #QF 0.83)
&rst
ixpk= 32, nxpk= 0, iat=1641,1658, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 103 ILE HB 103 ILE QD1 3.48 (#peak 82 #SUP 0.95 #QF 0.79)
&rst
ixpk= 82, nxpk= 0, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1652,1653,1654,
&end
#
# 103 ILE HN 103 ILE HB 3.15 (#peak 40 #SUP 0.98 #QF 0.98)
&rst
ixpk= 40, nxpk= 0, iat=1639,1643, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 103 ILE HN 103 ILE HG12 4.47 (#peak 83 #SUP 0.98 #QF 0.98)
&rst
ixpk= 83, nxpk= 0, iat=1639,1649, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 103 ILE HN 103 ILE HG13 3.67 (#peak 41 #SUP 0.99 #QF 0.99)
&rst
ixpk= 41, nxpk= 0, iat=1639,1650, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 103 ILE HN 103 ILE QD1 4.18 (#peak 1632 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1632, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1652,1653,1654,
&end
#
# 103 ILE HN 103 ILE QG2 3.91 (#peak 42 #SUP 1.00)
&rst
ixpk= 42, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1645,1646,1647,
&end
#
# 103 ILE HN 104 LYS+ HN 4.76 (#peak 43 #SUP 1.00)
&rst
ixpk= 43, nxpk= 0, iat=1639,1658, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 103 ILE QD1 104 LYS+ HN 5.14 (#peak 74 #SUP 0.95 #QF 0.95)
&rst
ixpk= 74, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1652,1653,1654,
&end
#
# 103 ILE QG2 104 LYS+ HN 3.37 (#peak 26 #SUP 0.96 #QF 0.96)
&rst
ixpk= 26, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1645,1646,1647,
&end
#
# 104 LYS+ HA 104 LYS+ HD2 4.14 (#peak 64 #SUP 0.93 #QF 0.93)
&rst
ixpk= 64, nxpk= 0, iat=1660,1668, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 104 LYS+ HA 104 LYS+ HD3 4.14 (#peak 63 #SUP 0.91 #QF 0.91)
&rst
ixpk= 63, nxpk= 0, iat=1660,1669, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 104 LYS+ HA 104 LYS+ QD 3.56 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1668,1669,
&end
#
# 104 LYS+ HA 105 ILE HB 4.72 (#peak 34 #SUP 0.96 #QF 0.96)
&rst
ixpk= 34, nxpk= 0, iat=1660,1684, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 104 LYS+ HA 105 ILE HN 2.86 (#peak 23 #SUP 0.81 #QF 0.81)
&rst
ixpk= 23, nxpk= 0, iat=1660,1680, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 104 LYS+ HA 105 ILE QG1 4.74 (#peak 38 #SUP 0.86 #QF 0.86)
&rst
ixpk= 38, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1690,1691,
&end
#
# 104 LYS+ HB2 105 ILE HN 5.00 (#peak 49 #SUP 0.95 #QF 0.95)
&rst
ixpk= 49, nxpk= 0, iat=1662,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LYS+ HB3 105 ILE HN 3.96 (#peak 20 #SUP 0.90 #QF 0.90)
&rst
ixpk= 20, nxpk= 0, iat=1663,1680, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 104 LYS+ HB3 106 HIS HE1 4.15 (#peak 1626 #SUP 0.77 #QF 0.57)
&rst
ixpk= 1626, nxpk= 0, iat=1663,1708, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 104 LYS+ HG2 104 LYS+ QE 3.91 (#peak 56 #SUP 0.88 #QF 0.88)
&rst
ixpk= 56, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1671,1672,
&end
#
# 104 LYS+ HG3 104 LYS+ QE 3.91 (#peak 55 #SUP 0.91 #QF 0.91)
&rst
ixpk= 55, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1671,1672,
&end
#
# 104 LYS+ HN 104 LYS+ HB2 3.72 (#peak 28 #SUP 0.99 #QF 0.99)
&rst
ixpk= 28, nxpk= 0, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 104 LYS+ HN 104 LYS+ HB3 3.87 (#peak 27 #SUP 0.98 #QF 0.98)
&rst
ixpk= 27, nxpk= 0, iat=1658,1663, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 104 LYS+ HN 104 LYS+ HG2 4.72 (#peak 62 #SUP 0.99 #QF 0.99)
&rst
ixpk= 62, nxpk= 0, iat=1658,1665, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 104 LYS+ HN 104 LYS+ HG3 4.72 (#peak 61 #SUP 0.99 #QF 0.99)
&rst
ixpk= 61, nxpk= 0, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 104 LYS+ HN 105 ILE HN 4.76 (#peak 788 #SUP 0.99 #QF 0.99)
&rst
ixpk= 788, nxpk= 0, iat=1658,1680, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 104 LYS+ QD 105 ILE HN 4.69 (#peak 19)
&rst
ixpk= 19, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1668,1669,
&end
#
# 104 LYS+ QD 106 HIS HE1 5.04 (#peak 1627)
&rst
ixpk= 1627, nxpk= 0, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1668,1669,
&end
#
# 104 LYS+ QE 106 HIS HE1 4.69 (#peak 1628 #SUP 0.79 #QF 0.79)
&rst
ixpk= 1628, nxpk= 0, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1671,1672,
&end
#
# 104 LYS+ QG 104 LYS+ QE 3.36 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1665,1666,
igr2=1671,1672,
&end
#
# 105 ILE HA 105 ILE QG2 3.76 (#peak 1631 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1631, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1686,1687,1688,
&end
#
# 105 ILE HB 106 HIS HN 4.53 (#peak 10 #SUP 0.99 #QF 0.99)
&rst
ixpk= 10, nxpk= 0, iat=1684,1699, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 105 ILE HN 105 ILE HB 3.33 (#peak 22 #SUP 0.95 #QF 0.95)
&rst
ixpk= 22, nxpk= 0, iat=1680,1684, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 105 ILE HN 105 ILE QD1 4.50 (#peak 18 #SUP 0.91 #QF 0.80)
&rst
ixpk= 18, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1693,1694,1695,
&end
#
# 105 ILE HN 105 ILE QG1 3.66 (#peak 21 #SUP 0.94 #QF 0.94)
&rst
ixpk= 21, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1690,1691,
&end
#
# 105 ILE HN 105 ILE QG2 4.23 (#peak 18 #SUP 0.91 #QF 0.80)
&rst
ixpk= 18, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1686,1687,1688,
&end
#
# 105 ILE HN 106 HIS HN 4.88 (#peak 16 #SUP 1.00)
&rst
ixpk= 16, nxpk= 0, iat=1680,1699, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 105 ILE QG2 106 HIS HN 3.56 (#peak 7 #SUP 0.85 #QF 0.85)
&rst
ixpk= 7, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1686,1687,1688,
&end
#
# 106 HIS HN 106 HIS HB2 3.88 (#peak 12 #SUP 0.96 #QF 0.96)
&rst
ixpk= 12, nxpk= 0, iat=1699,1703, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 106 HIS HN 106 HIS HB3 3.88 (#peak 13 #SUP 0.99 #QF 0.99)
&rst
ixpk= 13, nxpk= 0, iat=1699,1704, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 106 HIS HN 106 HIS HD2 3.77 (#peak 15 #SUP 0.93 #QF 0.93)
&rst
ixpk= 15, nxpk= 0, iat=1699,1712, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 106 HIS HN 106 HIS QB 3.33 (#peak 12)
&rst
ixpk= 12, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1703,1704,
&end
#
# 107 GLY QA 108 PHE HN 3.10 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1718,1719,
&end
#
# 108 PHE HA 108 PHE QD 4.18 (#peak 13 #SUP 0.93 #QF 0.93)
&rst
ixpk= 13, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1731,1739,
&end
#
# 108 PHE HN 108 PHE HB2 4.08 (#peak 1 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 108 PHE HN 108 PHE HB3 4.08 (#peak 2 #SUP 1.00)
&rst
ixpk= 2, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 108 PHE HN 108 PHE QB 3.44 (#peak 1)
&rst
ixpk= 1, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1727,1728,
&end
#
# 108 PHE HN 108 PHE QD 4.26 (#peak 6 #SUP 0.97 #QF 0.97)
&rst
ixpk= 6, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1731,1739,
&end
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