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 |
|
|
492550 |
2kij   |
16277 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 2 SER HN 2 SER QB 4.16 (#peak 2177)
&rst
ixpk= 2177, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr2= 15, 16,
&end
#
# 2 SER QB 3 PHE HN 5.72 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 15, 16,
&end
#
# 3 PHE HN 4 THR HN 3.42 (#peak 1177)
&rst
ixpk= 1177, nxpk= 0, iat= 22, 42, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 3 PHE HA 3 PHE HB2 2.99 (#peak 2763)
&rst
ixpk= 2763, nxpk= 0, iat= 24, 26, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 3 PHE HA 3 PHE HB3 2.92 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= 24, 27, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 3 PHE HA 3 PHE QD 3.39 (#peak 2146)
&rst
ixpk= 2146, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 30, 38,
&end
#
# 3 PHE HA 3 PHE QE 4.42 (#peak 2149)
&rst
ixpk= 2149, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 32, 36,
&end
#
# 3 PHE HA 5 MET HN 5.97 (#peak 2155)
&rst
ixpk= 2155, nxpk= 0, iat= 24, 56, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 3 PHE HA 6 SER HN 4.89 (#peak 2148)
&rst
ixpk= 2148, nxpk= 0, iat= 24, 73, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 3 PHE HB2 4 THR HN 4.41 (#peak 2767)
&rst
ixpk= 2767, nxpk= 0, iat= 26, 42, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 3 PHE HB3 4 THR HN 4.64 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat= 27, 42, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 3 PHE QD 4 THR HN 6.15 (#peak 1600)
&rst
ixpk= 1600, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 30, 38,
&end
#
# 4 THR HN 4 THR HB 4.05 (#peak 2831)
&rst
ixpk= 2831, nxpk= 0, iat= 42, 46, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 4 THR HN 4 THR QG2 4.38 (#peak 3295)
&rst
ixpk= 3295, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 48, 49, 50,
&end
#
# 4 THR HN 5 MET HN 5.08 (#peak 1609)
&rst
ixpk= 1609, nxpk= 0, iat= 42, 56, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 4 THR HA 4 THR QG2 2.64 (#peak 1142)
&rst
ixpk= 1142, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 48, 49, 50,
&end
#
# 4 THR HB 5 MET HN 4.44 (#peak 2832)
&rst
ixpk= 2832, nxpk= 0, iat= 46, 56, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 4 THR QG2 5 MET HN 4.41 (#peak 3296)
&rst
ixpk= 3296, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 48, 49, 50,
&end
#
# 4 THR QG2 6 SER HN 5.02 (#peak 3291)
&rst
ixpk= 3291, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 48, 49, 50,
&end
#
# 5 MET HN 5 MET QG 4.05 (#peak 1255)
&rst
ixpk= 1255, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 63, 64,
&end
#
# 5 MET HN 6 SER HN 3.67 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= 56, 73, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 5 MET HA 5 MET QB 2.77 (#peak 2936)
&rst
ixpk= 2936, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 60, 61,
&end
#
# 5 MET HA 5 MET QG 3.61 (#peak 2938)
&rst
ixpk= 2938, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 63, 64,
&end
#
# 5 MET HA 8 ALA HN 4.61 (#peak 2939)
&rst
ixpk= 2939, nxpk= 0, iat= 58, 99, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 5 MET HA 8 ALA QB 4.34 (#peak 2941)
&rst
ixpk= 2941, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 103, 104, 105,
&end
#
# 5 MET QB 5 MET QG 2.40 (#peak 1251)
&rst
ixpk= 1251, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 60, 61,
igr2= 63, 64,
&end
#
# 5 MET QB 6 SER HN 4.11 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 60, 61,
&end
#
# 5 MET QB 8 ALA HN 5.24 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 60, 61,
&end
#
# 5 MET QG 6 SER HN 5.30 (#peak 1252)
&rst
ixpk= 1252, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 63, 64,
&end
#
# 6 SER HN 6 SER HB2 4.00 (#peak 1683)
&rst
ixpk= 1683, nxpk= 0, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 SER HN 9 LEU HN 5.96 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 73, 109, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 6 SER HA 6 SER HB3 2.96 (#peak 3433)
&rst
ixpk= 3433, nxpk= 0, iat= 75, 78, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 6 SER HA 8 ALA HN 4.65 (#peak 2258)
&rst
ixpk= 2258, nxpk= 0, iat= 75, 99, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 6 SER HA 9 LEU HN 4.27 (#peak 2260)
&rst
ixpk= 2260, nxpk= 0, iat= 75, 109, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 6 SER HA 9 LEU HB2 3.91 (#peak 2287)
&rst
ixpk= 2287, nxpk= 0, iat= 75, 113, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 6 SER HA 9 LEU HB3 4.35 (#peak 2902)
&rst
ixpk= 2902, nxpk= 0, iat= 75, 114, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 6 SER HA 9 LEU QD1 4.83 (#peak 4348)
&rst
ixpk= 4348, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 118, 119, 120,
&end
#
# 6 SER HA 9 LEU QD2 4.84 (#peak 4349)
&rst
ixpk= 4349, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 122, 123, 124,
&end
#
# 8 ALA HN 10 ALA HN 6.02 (#peak 1147)
&rst
ixpk= 1147, nxpk= 0, iat= 99, 128, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 8 ALA HN 11 LYS HN 6.15 (#peak 1297)
&rst
ixpk= 1297, nxpk= 0, iat= 99, 138, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 8 ALA HN 8 ALA QB 2.88 (#peak 3034)
&rst
ixpk= 3034, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 103, 104, 105,
&end
#
# 8 ALA HN 9 LEU HN 5.97 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat= 99, 109, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 8 ALA HA 11 LYS HN 4.13 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 101, 138, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 8 ALA HA 11 LYS QB 4.11 (#peak 3693)
&rst
ixpk= 3693, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 142, 143,
&end
#
# 8 ALA QB 73 LEU QD1 5.44 (#peak 3913)
&rst
ixpk= 3913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 103, 104, 105,
igr2=1094,1095,1096,
&end
#
# 8 ALA QB 73 LEU QD2 4.69 (#peak 3914)
&rst
ixpk= 3914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 103, 104, 105,
igr2=1098,1099,1100,
&end
#
# 8 ALA QB 9 LEU HN 3.88 (#peak 3035)
&rst
ixpk= 3035, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 103, 104, 105,
&end
#
# 9 LEU HN 10 ALA HN 5.17 (#peak 893)
&rst
ixpk= 893, nxpk= 0, iat= 109, 128, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 9 LEU HN 12 LEU HN 6.15 (#peak 911)
&rst
ixpk= 911, nxpk= 0, iat= 109, 160, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 LEU HN 9 LEU HG 5.74 (#peak 886)
&rst
ixpk= 886, nxpk= 0, iat= 109, 116, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 9 LEU HN 9 LEU QD1 4.95 (#peak 700)
&rst
ixpk= 700, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 118, 119, 120,
&end
#
# 9 LEU HN 9 LEU QD2 4.64 (#peak 2337)
&rst
ixpk= 2337, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 122, 123, 124,
&end
#
# 9 LEU HA 117 VAL QG1 5.47 (#peak 4276)
&rst
ixpk= 4276, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1715,1716,1717,
&end
#
# 9 LEU HA 117 VAL QG2 6.08 (#peak 4277)
&rst
ixpk= 4277, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1719,1720,1721,
&end
#
# 9 LEU HA 12 LEU HB2 4.54 (#peak 1911)
&rst
ixpk= 1911, nxpk= 0, iat= 111, 164, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 9 LEU HA 12 LEU HG 4.81 (#peak 1908)
&rst
ixpk= 1908, nxpk= 0, iat= 111, 167, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 9 LEU HA 12 LEU QD2 3.45 (#peak 4376)
&rst
ixpk= 4376, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 173, 174, 175,
&end
#
# 9 LEU HA 9 LEU HG 3.76 (#peak 1698)
&rst
ixpk= 1698, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 9 LEU HA 9 LEU QD1 3.42 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 118, 119, 120,
&end
#
# 9 LEU HA 9 LEU QD2 4.57 (#peak 2336)
&rst
ixpk= 2336, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 122, 123, 124,
&end
#
# 9 LEU HB2 10 ALA HN 4.28 (#peak 2290)
&rst
ixpk= 2290, nxpk= 0, iat= 113, 128, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 9 LEU HB2 117 VAL HB 6.15 (#peak 3845)
&rst
ixpk= 3845, nxpk= 0, iat= 113,1713, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 LEU HB2 9 LEU QD1 2.40 (#peak 2283)
&rst
ixpk= 2283, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 118, 119, 120,
&end
#
# 9 LEU HB2 9 LEU QD2 3.72 (#peak 2338)
&rst
ixpk= 2338, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 122, 123, 124,
&end
#
# 9 LEU HB3 10 ALA HN 3.80 (#peak 2905)
&rst
ixpk= 2905, nxpk= 0, iat= 114, 128, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 9 LEU HB3 117 VAL HB 6.01 (#peak 3846)
&rst
ixpk= 3846, nxpk= 0, iat= 114,1713, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 9 LEU HB3 9 LEU QD1 3.16 (#peak 2898)
&rst
ixpk= 2898, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 118, 119, 120,
&end
#
# 9 LEU HB3 9 LEU QD2 2.67 (#peak 2904)
&rst
ixpk= 2904, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 122, 123, 124,
&end
#
# 9 LEU HG 10 ALA HN 5.92 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= 116, 128, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 9 LEU QD1 10 ALA HN 5.33 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 118, 119, 120,
&end
#
# 9 LEU QD1 117 VAL HB 5.47 (#peak 3849)
&rst
ixpk= 3849, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 118, 119, 120,
&end
#
# 9 LEU QD1 117 VAL QG1 3.80 (#peak 3896)
&rst
ixpk= 3896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 118, 119, 120,
igr2=1715,1716,1717,
&end
#
# 9 LEU QD1 117 VAL QG2 4.92 (#peak 3898)
&rst
ixpk= 3898, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 118, 119, 120,
igr2=1719,1720,1721,
&end
#
# 9 LEU QD1 120 VAL QQG 4.48 (#peak 4145)
&rst
ixpk= 4145, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 118, 119, 120,
igr2=1772,1773,1774,1776,1777,1778,
&end
#
# 9 LEU QD1 121 GLU HN 6.15 (#peak 1829)
&rst
ixpk= 1829, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 118, 119, 120,
&end
#
# 9 LEU QD1 121 GLU HB2 4.18 (#peak 4314)
&rst
ixpk= 4314, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 118, 119, 120,
&end
#
# 9 LEU QD1 121 GLU HB3 5.65 (#peak 4313)
&rst
ixpk= 4313, nxpk= 0, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 118, 119, 120,
&end
#
# 9 LEU QD1 121 GLU QG 4.54 (#peak 4147)
&rst
ixpk= 4147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 118, 119, 120,
igr2=1789,1790,
&end
#
# 9 LEU QD2 10 ALA HN 4.75 (#peak 2340)
&rst
ixpk= 2340, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 117 VAL HB 4.93 (#peak 3848)
&rst
ixpk= 3848, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 117 VAL QG1 4.42 (#peak 3897)
&rst
ixpk= 3897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 122, 123, 124,
igr2=1715,1716,1717,
&end
#
# 9 LEU QD2 117 VAL QG2 5.30 (#peak 3899)
&rst
ixpk= 3899, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 122, 123, 124,
igr2=1719,1720,1721,
&end
#
# 9 LEU QD2 121 GLU HN 6.15 (#peak 1830)
&rst
ixpk= 1830, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 121 GLU HB2 4.23 (#peak 4315)
&rst
ixpk= 4315, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 121 GLU HB3 5.26 (#peak 4312)
&rst
ixpk= 4312, nxpk= 0, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 122, 123, 124,
&end
#
# 9 LEU QD2 121 GLU QG 4.64 (#peak 4148)
&rst
ixpk= 4148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 122, 123, 124,
igr2=1789,1790,
&end
#
# 10 ALA HN 10 ALA QB 3.11 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 132, 133, 134,
&end
#
# 10 ALA HN 11 LYS HN 3.76 (#peak 1305)
&rst
ixpk= 1305, nxpk= 0, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 10 ALA HN 12 LEU HN 6.15 (#peak 913)
&rst
ixpk= 913, nxpk= 0, iat= 128, 160, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 10 ALA HA 117 VAL HB 6.11 (#peak 4333)
&rst
ixpk= 4333, nxpk= 0, iat= 130,1713, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 10 ALA HA 117 VAL QG1 4.85 (#peak 4334)
&rst
ixpk= 4334, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1715,1716,1717,
&end
#
# 10 ALA HA 117 VAL QG2 5.88 (#peak 4335)
&rst
ixpk= 4335, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1719,1720,1721,
&end
#
# 10 ALA HA 13 ILE HN 4.68 (#peak 2488)
&rst
ixpk= 2488, nxpk= 0, iat= 130, 179, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 ALA HA 13 ILE HB 4.22 (#peak 834)
&rst
ixpk= 834, nxpk= 0, iat= 130, 183, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 10 ALA HA 13 ILE QD1 5.88 (#peak 3912)
&rst
ixpk= 3912, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 192, 193, 194,
&end
#
# 10 ALA HA 13 ILE QG2 5.49 (#peak 3911)
&rst
ixpk= 3911, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 185, 186, 187,
&end
#
# 10 ALA QB 11 LYS HN 3.89 (#peak 655)
&rst
ixpk= 655, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 132, 133, 134,
&end
#
# 11 LYS HN 11 LYS HG2 4.95 (#peak 1586)
&rst
ixpk= 1586, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 11 LYS HN 11 LYS HG3 4.81 (#peak 3322)
&rst
ixpk= 3322, nxpk= 0, iat= 138, 146, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 11 LYS HN 11 LYS QB 2.93 (#peak 3700)
&rst
ixpk= 3700, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 142, 143,
&end
#
# 11 LYS HN 11 LYS QD 4.65 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 148, 149,
&end
#
# 11 LYS HN 12 LEU HN 4.22 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= 138, 160, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 11 LYS HN 13 ILE HN 6.15 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= 138, 179, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 LYS HN 73 LEU QD2 6.15 (#peak 1298)
&rst
ixpk= 1298, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1098,1099,1100,
&end
#
# 11 LYS HA 11 LYS HG2 4.20 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= 140, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 11 LYS HA 11 LYS HG3 3.67 (#peak 2993)
&rst
ixpk= 2993, nxpk= 0, iat= 140, 146, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 11 LYS HA 11 LYS QD 4.19 (#peak 2986)
&rst
ixpk= 2986, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 148, 149,
&end
#
# 11 LYS HA 11 LYS QE 4.47 (#peak 2990)
&rst
ixpk= 2990, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 151, 152,
&end
#
# 11 LYS HA 14 SER HB2 3.66 (#peak 2988)
&rst
ixpk= 2988, nxpk= 0, iat= 140, 202, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 11 LYS HG2 11 LYS QD 3.01 (#peak 1147)
&rst
ixpk= 1147, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 148, 149,
&end
#
# 11 LYS HG2 11 LYS QE 2.95 (#peak 2851)
&rst
ixpk= 2851, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 151, 152,
&end
#
# 11 LYS HG2 12 LEU HN 6.00 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat= 145, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 LYS HG2 73 LEU QD2 4.22 (#peak 1581)
&rst
ixpk= 1581, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1098,1099,1100,
&end
#
# 11 LYS HG3 11 LYS QE 4.14 (#peak 3320)
&rst
ixpk= 3320, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 151, 152,
&end
#
# 11 LYS HG3 14 SER HN 6.15 (#peak 39)
&rst
ixpk= 39, nxpk= 0, iat= 146, 198, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 LYS HG3 15 LEU HN 6.15 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= 146, 209, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 LYS QB 11 LYS HG2 2.76 (#peak 3696)
&rst
ixpk= 3696, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1= 142, 143,
&end
#
# 11 LYS QB 11 LYS QD 2.40 (#peak 3694)
&rst
ixpk= 3694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 142, 143,
igr2= 148, 149,
&end
#
# 11 LYS QB 11 LYS QE 3.63 (#peak 3698)
&rst
ixpk= 3698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 142, 143,
igr2= 151, 152,
&end
#
# 11 LYS QB 12 LEU HN 4.04 (#peak 3697)
&rst
ixpk= 3697, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 142, 143,
&end
#
# 11 LYS QB 73 LEU QD2 4.66 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 142, 143,
igr2=1098,1099,1100,
&end
#
# 11 LYS QD 11 LYS QE 2.52 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1= 148, 149,
igr2= 151, 152,
&end
#
# 11 LYS QD 12 LEU HN 5.64 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 148, 149,
&end
#
# 11 LYS QD 73 LEU QD2 4.12 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 148, 149,
igr2=1098,1099,1100,
&end
#
# 12 LEU HN 12 LEU HA 2.88 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 12 LEU HN 12 LEU HB2 4.18 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat= 160, 164, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 12 LEU HN 12 LEU HB3 4.05 (#peak 3514)
&rst
ixpk= 3514, nxpk= 0, iat= 160, 165, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 LEU HN 12 LEU HG 4.39 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat= 160, 167, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 12 LEU HN 12 LEU QD1 4.49 (#peak 2127)
&rst
ixpk= 2127, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 169, 170, 171,
&end
#
# 12 LEU HN 12 LEU QD2 3.46 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 173, 174, 175,
&end
#
# 12 LEU HN 13 ILE HN 3.50 (#peak 701)
&rst
ixpk= 701, nxpk= 0, iat= 160, 179, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 LEU HA 12 LEU HG 4.17 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat= 162, 167, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 LEU HA 12 LEU QD1 3.94 (#peak 2124)
&rst
ixpk= 2124, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 169, 170, 171,
&end
#
# 12 LEU HA 12 LEU QD2 2.70 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 173, 174, 175,
&end
#
# 12 LEU HA 15 LEU HB2 5.47 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat= 162, 213, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 12 LEU HA 15 LEU HB3 5.28 (#peak 1773)
&rst
ixpk= 1773, nxpk= 0, iat= 162, 214, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 12 LEU HB2 117 VAL QG1 4.86 (#peak 4157)
&rst
ixpk= 4157, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1715,1716,1717,
&end
#
# 12 LEU HB2 117 VAL QG2 4.66 (#peak 4163)
&rst
ixpk= 4163, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1719,1720,1721,
&end
#
# 12 LEU HB2 12 LEU HG 2.82 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= 164, 167, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 12 LEU HB2 12 LEU QD1 3.26 (#peak 1805)
&rst
ixpk= 1805, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 169, 170, 171,
&end
#
# 12 LEU HB2 12 LEU QD2 2.73 (#peak 1798)
&rst
ixpk= 1798, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 173, 174, 175,
&end
#
# 12 LEU HB2 13 ILE HN 4.37 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat= 164, 179, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 LEU HB3 117 VAL QG1 4.64 (#peak 4160)
&rst
ixpk= 4160, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1715,1716,1717,
&end
#
# 12 LEU HB3 117 VAL QG2 4.80 (#peak 4161)
&rst
ixpk= 4161, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1719,1720,1721,
&end
#
# 12 LEU HB3 12 LEU QD1 2.55 (#peak 3513)
&rst
ixpk= 3513, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 169, 170, 171,
&end
#
# 12 LEU HB3 12 LEU QD2 3.35 (#peak 3508)
&rst
ixpk= 3508, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 173, 174, 175,
&end
#
# 12 LEU HB3 13 ILE HN 3.88 (#peak 3511)
&rst
ixpk= 3511, nxpk= 0, iat= 165, 179, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 12 LEU HG 117 VAL QG1 5.23 (#peak 4158)
&rst
ixpk= 4158, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1715,1716,1717,
&end
#
# 12 LEU HG 117 VAL QG2 5.19 (#peak 4162)
&rst
ixpk= 4162, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1719,1720,1721,
&end
#
# 12 LEU HG 13 ILE HN 5.81 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat= 167, 179, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 12 LEU QD1 113 LEU HN 6.08 (#peak 2128)
&rst
ixpk= 2128, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 169, 170, 171,
&end
#
# 12 LEU QD1 113 LEU QD1 4.01 (#peak 4139)
&rst
ixpk= 4139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 169, 170, 171,
igr2=1652,1653,1654,
&end
#
# 12 LEU QD1 113 LEU QD2 4.62 (#peak 4140)
&rst
ixpk= 4140, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 169, 170, 171,
igr2=1656,1657,1658,
&end
#
# 12 LEU QD1 116 ILE QD1 4.63 (#peak 4178)
&rst
ixpk= 4178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 169, 170, 171,
igr2=1703,1704,1705,
&end
#
# 12 LEU QD1 117 VAL HN 6.15 (#peak 1856)
&rst
ixpk= 1856, nxpk= 0, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 169, 170, 171,
&end
#
# 12 LEU QD1 73 LEU QD1 4.82 (#peak 4110)
&rst
ixpk= 4110, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 169, 170, 171,
igr2=1094,1095,1096,
&end
#
# 12 LEU QD1 73 LEU QD2 4.82 (#peak 4107)
&rst
ixpk= 4107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 169, 170, 171,
igr2=1098,1099,1100,
&end
#
# 12 LEU QD2 113 LEU QD1 5.51 (#peak 4141)
&rst
ixpk= 4141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 173, 174, 175,
igr2=1652,1653,1654,
&end
#
# 12 LEU QD2 113 LEU QD2 5.78 (#peak 4142)
&rst
ixpk= 4142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 173, 174, 175,
igr2=1656,1657,1658,
&end
#
# 12 LEU QD2 116 ILE QD1 5.72 (#peak 4177)
&rst
ixpk= 4177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 173, 174, 175,
igr2=1703,1704,1705,
&end
#
# 12 LEU QD2 117 VAL HN 6.15 (#peak 1857)
&rst
ixpk= 1857, nxpk= 0, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 173, 174, 175,
&end
#
# 12 LEU QD2 73 LEU QD1 4.67 (#peak 4109)
&rst
ixpk= 4109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 173, 174, 175,
igr2=1094,1095,1096,
&end
#
# 12 LEU QD2 73 LEU QD2 4.11 (#peak 4143)
&rst
ixpk= 4143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 173, 174, 175,
igr2=1098,1099,1100,
&end
#
# 13 ILE HN 117 VAL QG1 6.15 (#peak 1813)
&rst
ixpk= 1813, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1715,1716,1717,
&end
#
# 13 ILE HN 117 VAL QG2 6.15 (#peak 1814)
&rst
ixpk= 1814, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1719,1720,1721,
&end
#
# 13 ILE HN 13 ILE HB 3.11 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= 179, 183, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 13 ILE HN 13 ILE HG12 4.71 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 13 ILE HN 13 ILE HG13 4.93 (#peak 1346)
&rst
ixpk= 1346, nxpk= 0, iat= 179, 190, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 13 ILE HN 13 ILE QD1 4.50 (#peak 3715)
&rst
ixpk= 3715, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 192, 193, 194,
&end
#
# 13 ILE HN 13 ILE QG2 3.90 (#peak 2513)
&rst
ixpk= 2513, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 185, 186, 187,
&end
#
# 13 ILE HN 14 SER HN 5.63 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 179, 198, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 13 ILE HN 15 LEU HN 5.29 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= 179, 209, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 13 ILE HA 13 ILE HG12 3.04 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat= 181, 189, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 13 ILE HA 13 ILE HG13 4.04 (#peak 83)
&rst
ixpk= 83, nxpk= 0, iat= 181, 190, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 13 ILE HA 13 ILE QD1 3.50 (#peak 3709)
&rst
ixpk= 3709, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 192, 193, 194,
&end
#
# 13 ILE HA 13 ILE QG2 3.67 (#peak 2508)
&rst
ixpk= 2508, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 185, 186, 187,
&end
#
# 13 ILE HA 15 LEU HN 6.15 (#peak 1752)
&rst
ixpk= 1752, nxpk= 0, iat= 181, 209, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 13 ILE HA 16 GLN HN 4.89 (#peak 82)
&rst
ixpk= 82, nxpk= 0, iat= 181, 228, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 13 ILE HA 16 GLN HG3 4.45 (#peak 1647)
&rst
ixpk= 1647, nxpk= 0, iat= 181, 236, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 13 ILE HB 117 VAL QG1 5.97 (#peak 3741)
&rst
ixpk= 3741, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1715,1716,1717,
&end
#
# 13 ILE HB 117 VAL QG2 6.06 (#peak 2541)
&rst
ixpk= 2541, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1719,1720,1721,
&end
#
# 13 ILE HB 13 ILE HG12 2.90 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 13 ILE HB 13 ILE QD1 3.45 (#peak 3712)
&rst
ixpk= 3712, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 192, 193, 194,
&end
#
# 13 ILE HB 14 SER HN 4.63 (#peak 829)
&rst
ixpk= 829, nxpk= 0, iat= 183, 198, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 13 ILE HG12 117 VAL QG2 4.31 (#peak 2538)
&rst
ixpk= 2538, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1719,1720,1721,
&end
#
# 13 ILE HG12 14 SER HN 5.33 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= 189, 198, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 13 ILE HG13 14 SER HN 5.55 (#peak 1342)
&rst
ixpk= 1342, nxpk= 0, iat= 190, 198, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 13 ILE QD1 114 SER HA 4.24 (#peak 4270)
&rst
ixpk= 4270, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 192, 193, 194,
&end
#
# 13 ILE QD1 14 SER HN 5.93 (#peak 40)
&rst
ixpk= 40, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 192, 193, 194,
&end
#
# 13 ILE QD1 16 GLN HB2 5.13 (#peak 2806)
&rst
ixpk= 2806, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 192, 193, 194,
&end
#
# 13 ILE QD1 16 GLN HG3 4.72 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 192, 193, 194,
&end
#
# 13 ILE QG2 13 ILE HG12 3.55 (#peak 2510)
&rst
ixpk= 2510, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 185, 186, 187,
&end
#
# 13 ILE QG2 13 ILE HG13 3.80 (#peak 2512)
&rst
ixpk= 2512, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 185, 186, 187,
&end
#
# 13 ILE QG2 13 ILE QD1 2.40 (#peak 3716)
&rst
ixpk= 3716, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 185, 186, 187,
igr2= 192, 193, 194,
&end
#
# 13 ILE QG2 14 SER HN 3.87 (#peak 2509)
&rst
ixpk= 2509, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 185, 186, 187,
&end
#
# 13 ILE QG2 14 SER HA 3.63 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 185, 186, 187,
&end
#
# 13 ILE QG2 16 GLN HE21 6.15 (#peak 1876)
&rst
ixpk= 1876, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 185, 186, 187,
&end
#
# 13 ILE QG2 16 GLN HE22 6.15 (#peak 1877)
&rst
ixpk= 1877, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 185, 186, 187,
&end
#
# 14 SER HN 14 SER HB2 3.89 (#peak 1985)
&rst
ixpk= 1985, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 14 SER HN 14 SER HB3 3.60 (#peak 204)
&rst
ixpk= 204, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 SER HN 15 LEU HN 4.38 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= 198, 209, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 14 SER HA 16 GLN HN 5.69 (#peak 2221)
&rst
ixpk= 2221, nxpk= 0, iat= 200, 228, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 14 SER HB2 15 LEU HN 3.70 (#peak 1986)
&rst
ixpk= 1986, nxpk= 0, iat= 202, 209, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 14 SER HB3 15 LEU HN 4.54 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat= 203, 209, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 15 LEU HN 15 LEU HB2 3.85 (#peak 1038)
&rst
ixpk= 1038, nxpk= 0, iat= 209, 213, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 15 LEU HN 15 LEU HG 4.49 (#peak 2676)
&rst
ixpk= 2676, nxpk= 0, iat= 209, 216, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 LEU HN 15 LEU QD1 5.07 (#peak 3179)
&rst
ixpk= 3179, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 218, 219, 220,
&end
#
# 15 LEU HN 15 LEU QD2 5.20 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 222, 223, 224,
&end
#
# 15 LEU HA 15 LEU HG 3.82 (#peak 3553)
&rst
ixpk= 3553, nxpk= 0, iat= 211, 216, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 15 LEU HA 15 LEU QD1 4.04 (#peak 3554)
&rst
ixpk= 3554, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 218, 219, 220,
&end
#
# 15 LEU HA 15 LEU QD2 3.79 (#peak 1011)
&rst
ixpk= 1011, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 222, 223, 224,
&end
#
# 15 LEU HB2 15 LEU QD1 3.13 (#peak 1045)
&rst
ixpk= 1045, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 218, 219, 220,
&end
#
# 15 LEU HB2 15 LEU QD2 3.44 (#peak 1006)
&rst
ixpk= 1006, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 222, 223, 224,
&end
#
# 15 LEU HB2 16 GLN HN 4.58 (#peak 1041)
&rst
ixpk= 1041, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 LEU HB3 15 LEU QD1 3.38 (#peak 1776)
&rst
ixpk= 1776, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 218, 219, 220,
&end
#
# 15 LEU HB3 15 LEU QD2 2.40 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 222, 223, 224,
&end
#
# 15 LEU HB3 16 GLN HN 4.86 (#peak 1772)
&rst
ixpk= 1772, nxpk= 0, iat= 214, 228, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 15 LEU HG 16 GLN HN 5.63 (#peak 2679)
&rst
ixpk= 2679, nxpk= 0, iat= 216, 228, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 15 LEU QD1 113 LEU QD1 4.89 (#peak 4173)
&rst
ixpk= 4173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 218, 219, 220,
igr2=1652,1653,1654,
&end
#
# 15 LEU QD1 113 LEU QD2 5.15 (#peak 4174)
&rst
ixpk= 4174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 218, 219, 220,
igr2=1656,1657,1658,
&end
#
# 15 LEU QD1 16 GLN HN 5.76 (#peak 3182)
&rst
ixpk= 3182, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 218, 219, 220,
&end
#
# 15 LEU QD1 73 LEU QD1 4.64 (#peak 4136)
&rst
ixpk= 4136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 218, 219, 220,
igr2=1094,1095,1096,
&end
#
# 15 LEU QD1 73 LEU QD2 4.67 (#peak 4135)
&rst
ixpk= 4135, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 218, 219, 220,
igr2=1098,1099,1100,
&end
#
# 15 LEU QD2 113 LEU QD1 4.89 (#peak 4176)
&rst
ixpk= 4176, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 222, 223, 224,
igr2=1652,1653,1654,
&end
#
# 15 LEU QD2 113 LEU QD2 4.69 (#peak 4175)
&rst
ixpk= 4175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 222, 223, 224,
igr2=1656,1657,1658,
&end
#
# 15 LEU QD2 16 GLN HN 5.24 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 222, 223, 224,
&end
#
# 15 LEU QD2 73 LEU QD1 4.77 (#peak 4138)
&rst
ixpk= 4138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 222, 223, 224,
igr2=1094,1095,1096,
&end
#
# 15 LEU QD2 73 LEU QD2 4.90 (#peak 4137)
&rst
ixpk= 4137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 222, 223, 224,
igr2=1098,1099,1100,
&end
#
# 16 GLN HN 16 GLN HB3 3.96 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 16 GLN HN 16 GLN HE21 6.15 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 GLN HN 16 GLN HE22 6.15 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= 228, 241, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 GLN HN 16 GLN HG2 4.47 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 GLN HN 16 GLN HG3 4.76 (#peak 1650)
&rst
ixpk= 1650, nxpk= 0, iat= 228, 236, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 16 GLN HN 17 ALA HN 6.15 (#peak 1524)
&rst
ixpk= 1524, nxpk= 0, iat= 228, 245, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 GLN HA 16 GLN HE21 5.69 (#peak 3632)
&rst
ixpk= 3632, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 16 GLN HA 16 GLN HE22 6.15 (#peak 1209)
&rst
ixpk= 1209, nxpk= 0, iat= 230, 241, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 16 GLN HA 16 GLN HG2 4.02 (#peak 112)
&rst
ixpk= 112, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 16 GLN HA 16 GLN HG3 3.62 (#peak 3629)
&rst
ixpk= 3629, nxpk= 0, iat= 230, 236, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 16 GLN HA 17 ALA QB 3.93 (#peak 4388)
&rst
ixpk= 4388, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 249, 250, 251,
&end
#
# 16 GLN HB2 16 GLN HE21 4.27 (#peak 2803)
&rst
ixpk= 2803, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 16 GLN HB2 16 GLN HE22 4.89 (#peak 2802)
&rst
ixpk= 2802, nxpk= 0, iat= 232, 241, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 16 GLN HB2 17 ALA HN 5.02 (#peak 2804)
&rst
ixpk= 2804, nxpk= 0, iat= 232, 245, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 GLN HB3 16 GLN HE21 4.32 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= 233, 240, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 16 GLN HB3 16 GLN HE22 5.54 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat= 233, 241, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 16 GLN HB3 17 ALA HN 4.37 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat= 233, 245, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 16 GLN HE21 113 LEU QD1 6.15 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1652,1653,1654,
&end
#
# 16 GLN HE21 113 LEU QD2 6.15 (#peak 1874)
&rst
ixpk= 1874, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1656,1657,1658,
&end
#
# 16 GLN HE21 114 SER QB 6.15 (#peak 1883)
&rst
ixpk= 1883, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1666,1667,
&end
#
# 16 GLN HE22 113 LEU QD1 6.15 (#peak 1718)
&rst
ixpk= 1718, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1652,1653,1654,
&end
#
# 16 GLN HE22 113 LEU QD2 6.15 (#peak 1872)
&rst
ixpk= 1872, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1656,1657,1658,
&end
#
# 16 GLN HE22 114 SER QB 6.15 (#peak 1882)
&rst
ixpk= 1882, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1666,1667,
&end
#
# 16 GLN HG2 17 ALA HN 4.94 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= 235, 245, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 16 GLN HG3 113 LEU QD1 4.45 (#peak 1651)
&rst
ixpk= 1651, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1652,1653,1654,
&end
#
# 16 GLN HG3 113 LEU QD2 4.80 (#peak 4100)
&rst
ixpk= 4100, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1656,1657,1658,
&end
#
# 16 GLN HG3 17 ALA HN 5.58 (#peak 1656)
&rst
ixpk= 1656, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 17 ALA HN 113 LEU QD2 6.15 (#peak 1529)
&rst
ixpk= 1529, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1656,1657,1658,
&end
#
# 17 ALA HN 17 ALA QB 3.13 (#peak 3402)
&rst
ixpk= 3402, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 249, 250, 251,
&end
#
# 17 ALA HN 18 THR HN 5.46 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat= 245, 255, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 17 ALA HN 57 PRO HA 6.15 (#peak 1768)
&rst
ixpk= 1768, nxpk= 0, iat= 245, 866, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 17 ALA HN 58 VAL QG1 6.15 (#peak 1526)
&rst
ixpk= 1526, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 876, 877, 878,
&end
#
# 17 ALA HA 19 GLU HN 4.94 (#peak 1480)
&rst
ixpk= 1480, nxpk= 0, iat= 247, 269, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 17 ALA QB 18 THR HN 2.96 (#peak 3397)
&rst
ixpk= 3397, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 249, 250, 251,
&end
#
# 17 ALA QB 19 GLU HN 4.09 (#peak 3398)
&rst
ixpk= 3398, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 249, 250, 251,
&end
#
# 17 ALA QB 57 PRO HA 4.22 (#peak 4102)
&rst
ixpk= 4102, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 249, 250, 251,
&end
#
# 17 ALA QB 57 PRO HB2 3.92 (#peak 3396)
&rst
ixpk= 3396, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 249, 250, 251,
&end
#
# 17 ALA QB 57 PRO HB3 3.73 (#peak 4303)
&rst
ixpk= 4303, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 249, 250, 251,
&end
#
# 18 THR HN 18 THR QG2 4.37 (#peak 813)
&rst
ixpk= 813, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 261, 262, 263,
&end
#
# 18 THR HN 19 GLU HN 5.88 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat= 255, 269, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 18 THR HN 39 VAL HN 6.15 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 255, 568, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 THR HA 18 THR QG2 2.63 (#peak 3681)
&rst
ixpk= 3681, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2= 261, 262, 263,
&end
#
# 18 THR HA 39 VAL QG1 3.62 (#peak 3679)
&rst
ixpk= 3679, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 574, 575, 576,
&end
#
# 18 THR HA 40 GLU HN 6.15 (#peak 1742)
&rst
ixpk= 1742, nxpk= 0, iat= 257, 584, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 THR HB 19 GLU HN 3.82 (#peak 1215)
&rst
ixpk= 1215, nxpk= 0, iat= 259, 269, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 THR HB 19 GLU HB3 4.05 (#peak 904)
&rst
ixpk= 904, nxpk= 0, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 THR HB 19 GLU QG 5.26 (#peak 4179)
&rst
ixpk= 4179, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 276, 277,
&end
#
# 18 THR QG2 19 GLU HN 4.23 (#peak 815)
&rst
ixpk= 815, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 261, 262, 263,
&end
#
# 19 GLU HN 19 GLU HB2 4.07 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= 269, 273, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 19 GLU HN 19 GLU QG 3.42 (#peak 1939)
&rst
ixpk= 1939, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 276, 277,
&end
#
# 19 GLU HN 20 ALA HN 6.15 (#peak 951)
&rst
ixpk= 951, nxpk= 0, iat= 269, 284, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 19 GLU HN 39 VAL QG1 5.00 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 574, 575, 576,
&end
#
# 19 GLU HA 19 GLU HB2 2.72 (#peak 354)
&rst
ixpk= 354, nxpk= 0, iat= 271, 273, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 19 GLU HA 19 GLU QG 3.52 (#peak 3534)
&rst
ixpk= 3534, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 276, 277,
&end
#
# 19 GLU HA 20 ALA HN 2.91 (#peak 3535)
&rst
ixpk= 3535, nxpk= 0, iat= 271, 284, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 19 GLU HA 20 ALA QB 3.86 (#peak 3647)
&rst
ixpk= 3647, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 288, 289, 290,
&end
#
# 19 GLU HA 38 ASP HA 3.05 (#peak 3533)
&rst
ixpk= 3533, nxpk= 0, iat= 271, 558, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 19 GLU HA 39 VAL HN 3.60 (#peak 3538)
&rst
ixpk= 3538, nxpk= 0, iat= 271, 568, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 GLU HA 39 VAL HA 4.83 (#peak 4300)
&rst
ixpk= 4300, nxpk= 0, iat= 271, 570, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 19 GLU HA 39 VAL HB 4.28 (#peak 2920)
&rst
ixpk= 2920, nxpk= 0, iat= 271, 572, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 19 GLU HB2 19 GLU QG 2.40 (#peak 1937)
&rst
ixpk= 1937, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 276, 277,
&end
#
# 19 GLU HB2 20 ALA HN 3.31 (#peak 353)
&rst
ixpk= 353, nxpk= 0, iat= 273, 284, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 19 GLU HB2 38 ASP HA 4.01 (#peak 351)
&rst
ixpk= 351, nxpk= 0, iat= 273, 558, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 19 GLU HB3 20 ALA HN 4.10 (#peak 907)
&rst
ixpk= 907, nxpk= 0, iat= 274, 284, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 19 GLU HB3 38 ASP HA 4.02 (#peak 1838)
&rst
ixpk= 1838, nxpk= 0, iat= 274, 558, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 19 GLU HB3 39 VAL HN 4.72 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= 274, 568, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 GLU QG 20 ALA HN 3.98 (#peak 1941)
&rst
ixpk= 1941, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 276, 277,
&end
#
# 20 ALA HN 20 ALA QB 3.80 (#peak 3645)
&rst
ixpk= 3645, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 288, 289, 290,
&end
#
# 20 ALA HN 21 THR HN 5.65 (#peak 1659)
&rst
ixpk= 1659, nxpk= 0, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 20 ALA HN 37 VAL HN 4.66 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= 284, 540, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 ALA HN 37 VAL HB 6.15 (#peak 1717)
&rst
ixpk= 1717, nxpk= 0, iat= 284, 544, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 20 ALA HN 37 VAL O 2.4
&rst
ixpk= 1717, nxpk= 0, iat= 284, 554, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 20 ALA HN 37 VAL QG2 4.32 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 550, 551, 552,
&end
#
# 20 ALA HN 38 ASP HA 4.37 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat= 284, 558, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 20 ALA HN 39 VAL HA 5.45 (#peak 4295)
&rst
ixpk= 4295, nxpk= 0, iat= 284, 570, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 20 ALA HN 39 VAL HB 6.04 (#peak 4299)
&rst
ixpk= 4299, nxpk= 0, iat= 284, 572, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 20 ALA HA 21 THR HN 3.15 (#peak 2675)
&rst
ixpk= 2675, nxpk= 0, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 20 ALA HA 57 PRO HG2 5.96 (#peak 3447)
&rst
ixpk= 3447, nxpk= 0, iat= 286, 860, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 20 ALA HA 57 PRO HG3 5.67 (#peak 2669)
&rst
ixpk= 2669, nxpk= 0, iat= 286, 861, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 20 ALA N 37 VAL O 3.3
&rst
ixpk= 2669, nxpk= 0, iat= 283, 554, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 20 ALA QB 21 THR HN 3.80 (#peak 3650)
&rst
ixpk= 3650, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 288, 289, 290,
&end
#
# 20 ALA QB 22 ILE QD1 4.64 (#peak 4097)
&rst
ixpk= 4097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 288, 289, 290,
igr2= 321, 322, 323,
&end
#
# 20 ALA QB 37 VAL HN 4.72 (#peak 3644)
&rst
ixpk= 3644, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 288, 289, 290,
&end
#
# 20 ALA QB 37 VAL QG1 5.83 (#peak 3947)
&rst
ixpk= 3947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 288, 289, 290,
igr2= 546, 547, 548,
&end
#
# 20 ALA QB 37 VAL QG2 4.09 (#peak 3944)
&rst
ixpk= 3944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 288, 289, 290,
igr2= 550, 551, 552,
&end
#
# 20 ALA QB 39 VAL HA 3.85 (#peak 3648)
&rst
ixpk= 3648, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 288, 289, 290,
&end
#
# 20 ALA QB 57 PRO HB2 3.93 (#peak 4181)
&rst
ixpk= 4181, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 288, 289, 290,
&end
#
# 20 ALA QB 57 PRO HB3 4.11 (#peak 4184)
&rst
ixpk= 4184, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 288, 289, 290,
&end
#
# 21 THR HN 21 THR HB 3.52 (#peak 1459)
&rst
ixpk= 1459, nxpk= 0, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 THR HN 21 THR QG2 4.23 (#peak 1037)
&rst
ixpk= 1037, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 300, 301, 302,
&end
#
# 21 THR HN 22 ILE HN 5.14 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat= 294, 308, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 21 THR HN 48 ILE QD1 6.15 (#peak 1656)
&rst
ixpk= 1656, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 726, 727, 728,
&end
#
# 21 THR HN 48 ILE QG2 6.15 (#peak 1661)
&rst
ixpk= 1661, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 719, 720, 721,
&end
#
# 21 THR HA 21 THR QG2 2.94 (#peak 1035)
&rst
ixpk= 1035, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 300, 301, 302,
&end
#
# 21 THR HA 22 ILE HN 3.33 (#peak 3226)
&rst
ixpk= 3226, nxpk= 0, iat= 296, 308, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 21 THR HA 36 GLN HA 3.84 (#peak 1796)
&rst
ixpk= 1796, nxpk= 0, iat= 296, 525, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 THR HA 37 VAL HN 3.98 (#peak 3225)
&rst
ixpk= 3225, nxpk= 0, iat= 296, 540, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 THR HB 22 ILE HN 4.98 (#peak 1454)
&rst
ixpk= 1454, nxpk= 0, iat= 298, 308, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 21 THR HB 49 LYS HN 6.15 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat= 298, 732, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 21 THR QG2 22 ILE HN 4.47 (#peak 1029)
&rst
ixpk= 1029, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 300, 301, 302,
&end
#
# 21 THR QG2 34 GLU QG 4.28 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 300, 301, 302,
igr2= 500, 501,
&end
#
# 21 THR QG2 35 GLU HN 5.10 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 300, 301, 302,
&end
#
# 21 THR QG2 36 GLN HA 3.70 (#peak 1788)
&rst
ixpk= 1788, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 300, 301, 302,
&end
#
# 21 THR QG2 37 VAL HN 6.15 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 300, 301, 302,
&end
#
# 21 THR QG2 49 LYS HN 6.15 (#peak 1058)
&rst
ixpk= 1058, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 300, 301, 302,
&end
#
# 22 ILE HN 22 ILE HB 3.24 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 22 ILE HN 22 ILE HG12 4.76 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat= 308, 318, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 22 ILE HN 22 ILE HG13 3.85 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= 308, 319, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 ILE HN 22 ILE QD1 4.47 (#peak 1225)
&rst
ixpk= 1225, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 321, 322, 323,
&end
#
# 22 ILE HN 22 ILE QG2 4.14 (#peak 3415)
&rst
ixpk= 3415, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 314, 315, 316,
&end
#
# 22 ILE HN 23 VAL HN 5.76 (#peak 448)
&rst
ixpk= 448, nxpk= 0, iat= 308, 327, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 22 ILE HN 35 GLU HN 6.15 (#peak 1558)
&rst
ixpk= 1558, nxpk= 0, iat= 308, 508, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 22 ILE HN 35 GLU HB3 5.12 (#peak 2116)
&rst
ixpk= 2116, nxpk= 0, iat= 308, 513, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 22 ILE HN 35 GLU O 2.4
&rst
ixpk= 2116, nxpk= 0, iat= 308, 521, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 22 ILE HN 35 GLU QG 4.68 (#peak 2379)
&rst
ixpk= 2379, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 515, 516,
&end
#
# 22 ILE HN 36 GLN HA 5.02 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat= 308, 525, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 22 ILE HA 22 ILE HG12 3.31 (#peak 2397)
&rst
ixpk= 2397, nxpk= 0, iat= 310, 318, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 22 ILE HA 22 ILE HG13 3.54 (#peak 1672)
&rst
ixpk= 1672, nxpk= 0, iat= 310, 319, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 22 ILE HA 22 ILE QD1 4.15 (#peak 2399)
&rst
ixpk= 2399, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 321, 322, 323,
&end
#
# 22 ILE HA 22 ILE QG2 2.80 (#peak 3420)
&rst
ixpk= 3420, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 314, 315, 316,
&end
#
# 22 ILE HA 23 VAL HN 2.94 (#peak 2398)
&rst
ixpk= 2398, nxpk= 0, iat= 310, 327, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 22 ILE HA 23 VAL QG2 3.90 (#peak 2401)
&rst
ixpk= 2401, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 337, 338, 339,
&end
#
# 22 ILE HA 48 ILE HA 4.57 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= 310, 715, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 ILE HA 48 ILE QD1 3.09 (#peak 2396)
&rst
ixpk= 2396, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 726, 727, 728,
&end
#
# 22 ILE HB 22 ILE QD1 2.85 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 321, 322, 323,
&end
#
# 22 ILE HB 23 VAL HN 4.76 (#peak 116)
&rst
ixpk= 116, nxpk= 0, iat= 312, 327, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 22 ILE HB 35 GLU HB2 4.24 (#peak 3870)
&rst
ixpk= 3870, nxpk= 0, iat= 312, 512, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 22 ILE HB 35 GLU HB3 4.82 (#peak 3873)
&rst
ixpk= 3873, nxpk= 0, iat= 312, 513, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 22 ILE HB 35 GLU QG 3.45 (#peak 3871)
&rst
ixpk= 3871, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 515, 516,
&end
#
# 22 ILE HB 42 VAL HB 6.15 (#peak 3908)
&rst
ixpk= 3908, nxpk= 0, iat= 312, 622, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 22 ILE HG12 23 VAL HN 5.73 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 22 ILE HG12 35 GLU QG 6.15 (#peak 3949)
&rst
ixpk= 3949, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 515, 516,
&end
#
# 22 ILE HG12 37 VAL QG1 4.30 (#peak 4362)
&rst
ixpk= 4362, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 546, 547, 548,
&end
#
# 22 ILE HG12 37 VAL QG2 3.44 (#peak 4361)
&rst
ixpk= 4361, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 550, 551, 552,
&end
#
# 22 ILE HG13 23 VAL HN 6.01 (#peak 1669)
&rst
ixpk= 1669, nxpk= 0, iat= 319, 327, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 22 ILE HG13 35 GLU HB2 6.03 (#peak 3868)
&rst
ixpk= 3868, nxpk= 0, iat= 319, 512, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 22 ILE HG13 35 GLU HB3 5.90 (#peak 3872)
&rst
ixpk= 3872, nxpk= 0, iat= 319, 513, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 22 ILE HG13 35 GLU QG 5.84 (#peak 3952)
&rst
ixpk= 3952, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 515, 516,
&end
#
# 22 ILE HG13 42 VAL HB 4.72 (#peak 3907)
&rst
ixpk= 3907, nxpk= 0, iat= 319, 622, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 ILE N 35 GLU O 3.3
&rst
ixpk= 3907, nxpk= 0, iat= 307, 521, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 22 ILE QD1 35 GLU HB2 3.87 (#peak 3961)
&rst
ixpk= 3961, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 321, 322, 323,
&end
#
# 22 ILE QD1 35 GLU HB3 4.92 (#peak 3956)
&rst
ixpk= 3956, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 321, 322, 323,
&end
#
# 22 ILE QD1 35 GLU QG 4.78 (#peak 3950)
&rst
ixpk= 3950, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 321, 322, 323,
igr2= 515, 516,
&end
#
# 22 ILE QD1 42 VAL QG1 4.26 (#peak 4098)
&rst
ixpk= 4098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 321, 322, 323,
igr2= 624, 625, 626,
&end
#
# 22 ILE QD1 42 VAL QG2 4.26 (#peak 4099)
&rst
ixpk= 4099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 321, 322, 323,
igr2= 628, 629, 630,
&end
#
# 22 ILE QD1 46 ASP HA 6.15 (#peak 1226)
&rst
ixpk= 1226, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 321, 322, 323,
&end
#
# 22 ILE QG2 22 ILE HG12 3.24 (#peak 3416)
&rst
ixpk= 3416, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 314, 315, 316,
&end
#
# 22 ILE QG2 22 ILE HG13 3.65 (#peak 1673)
&rst
ixpk= 1673, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 314, 315, 316,
&end
#
# 22 ILE QG2 22 ILE QD1 2.40 (#peak 3418)
&rst
ixpk= 3418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 314, 315, 316,
igr2= 321, 322, 323,
&end
#
# 22 ILE QG2 23 VAL HN 3.37 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 314, 315, 316,
&end
#
# 22 ILE QG2 35 GLU HB2 4.24 (#peak 3960)
&rst
ixpk= 3960, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 314, 315, 316,
&end
#
# 22 ILE QG2 35 GLU HB3 5.90 (#peak 3957)
&rst
ixpk= 3957, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 314, 315, 316,
&end
#
# 22 ILE QG2 35 GLU QG 4.13 (#peak 3954)
&rst
ixpk= 3954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 314, 315, 316,
igr2= 515, 516,
&end
#
# 22 ILE QG2 46 ASP HN 6.15 (#peak 968)
&rst
ixpk= 968, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 314, 315, 316,
&end
#
# 22 ILE QG2 47 ILE HN 5.19 (#peak 3422)
&rst
ixpk= 3422, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 314, 315, 316,
&end
#
# 23 VAL HN 23 VAL HB 4.01 (#peak 2534)
&rst
ixpk= 2534, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 23 VAL HN 23 VAL QG1 5.78 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 333, 334, 335,
&end
#
# 23 VAL HN 23 VAL QG2 4.12 (#peak 1945)
&rst
ixpk= 1945, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 337, 338, 339,
&end
#
# 23 VAL HN 24 THR HN 6.15 (#peak 450)
&rst
ixpk= 450, nxpk= 0, iat= 327, 343, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 23 VAL HN 47 ILE HB 6.15 (#peak 1879)
&rst
ixpk= 1879, nxpk= 0, iat= 327, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 23 VAL HN 48 ILE HA 4.81 (#peak 3873)
&rst
ixpk= 3873, nxpk= 0, iat= 327, 715, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 23 VAL HN 48 ILE QD1 3.93 (#peak 491)
&rst
ixpk= 491, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 726, 727, 728,
&end
#
# 23 VAL HN 48 ILE QG2 5.51 (#peak 2687)
&rst
ixpk= 2687, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 719, 720, 721,
&end
#
# 23 VAL HA 23 VAL QG1 2.96 (#peak 359)
&rst
ixpk= 359, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 333, 334, 335,
&end
#
# 23 VAL HA 23 VAL QG2 3.35 (#peak 1946)
&rst
ixpk= 1946, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 337, 338, 339,
&end
#
# 23 VAL HA 24 THR HN 3.02 (#peak 1823)
&rst
ixpk= 1823, nxpk= 0, iat= 329, 343, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 23 VAL HA 34 GLU HA 2.65 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= 329, 495, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 23 VAL HA 34 GLU QB 4.58 (#peak 3883)
&rst
ixpk= 3883, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 497, 498,
&end
#
# 23 VAL HA 34 GLU QG 4.47 (#peak 3882)
&rst
ixpk= 3882, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 500, 501,
&end
#
# 23 VAL HA 35 GLU HN 4.19 (#peak 1828)
&rst
ixpk= 1828, nxpk= 0, iat= 329, 508, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 23 VAL HB 24 THR HN 4.85 (#peak 2533)
&rst
ixpk= 2533, nxpk= 0, iat= 331, 343, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 23 VAL HB 34 GLU QB 5.44 (#peak 3876)
&rst
ixpk= 3876, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 497, 498,
&end
#
# 23 VAL HB 34 GLU QG 4.28 (#peak 3879)
&rst
ixpk= 3879, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 500, 501,
&end
#
# 23 VAL HB 47 ILE QG2 4.79 (#peak 4363)
&rst
ixpk= 4363, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 700, 701, 702,
&end
#
# 23 VAL QG1 24 THR HN 4.44 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 333, 334, 335,
&end
#
# 23 VAL QG1 34 GLU HA 3.80 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 333, 334, 335,
&end
#
# 23 VAL QG1 34 GLU QB 4.75 (#peak 3981)
&rst
ixpk= 3981, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 333, 334, 335,
igr2= 497, 498,
&end
#
# 23 VAL QG1 34 GLU QG 4.43 (#peak 3980)
&rst
ixpk= 3980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 333, 334, 335,
igr2= 500, 501,
&end
#
# 23 VAL QG1 35 GLU HN 5.54 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 333, 334, 335,
&end
#
# 23 VAL QG2 24 THR HN 4.35 (#peak 1944)
&rst
ixpk= 1944, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 337, 338, 339,
&end
#
# 23 VAL QG2 34 GLU QB 5.44 (#peak 3878)
&rst
ixpk= 3878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 337, 338, 339,
igr2= 497, 498,
&end
#
# 23 VAL QG2 34 GLU QG 4.43 (#peak 3979)
&rst
ixpk= 3979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 337, 338, 339,
igr2= 500, 501,
&end
#
# 23 VAL QG2 48 ILE HA 3.75 (#peak 3874)
&rst
ixpk= 3874, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 337, 338, 339,
&end
#
# 23 VAL QG2 49 LYS QB 5.06 (#peak 3876)
&rst
ixpk= 3876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 337, 338, 339,
igr2= 736, 737,
&end
#
# 23 VAL QG2 49 LYS QD 4.65 (#peak 3875)
&rst
ixpk= 3875, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 337, 338, 339,
igr2= 742, 743,
&end
#
# 24 THR HN 24 THR QG2 4.22 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 349, 350, 351,
&end
#
# 24 THR HN 25 LEU HN 6.15 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= 343, 357, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 24 THR HN 33 SER HN 6.15 (#peak 1383)
&rst
ixpk= 1383, nxpk= 0, iat= 343, 482, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 24 THR HN 33 SER HB3 6.15 (#peak 1715)
&rst
ixpk= 1715, nxpk= 0, iat= 343, 487, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 24 THR HN 33 SER O 2.4
&rst
ixpk= 1715, nxpk= 0, iat= 343, 491, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 24 THR HN 34 GLU HA 3.84 (#peak 272)
&rst
ixpk= 272, nxpk= 0, iat= 343, 495, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 24 THR HN 34 GLU QB 5.80 (#peak 1717)
&rst
ixpk= 1717, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 497, 498,
&end
#
# 24 THR HN 34 GLU QG 5.90 (#peak 1716)
&rst
ixpk= 1716, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 500, 501,
&end
#
# 24 THR HA 24 THR QG2 2.40 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 349, 350, 351,
&end
#
# 24 THR HB 25 LEU HN 4.42 (#peak 284)
&rst
ixpk= 284, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 24 THR HB 33 SER HN 5.41 (#peak 287)
&rst
ixpk= 287, nxpk= 0, iat= 347, 482, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 24 THR N 33 SER O 3.3
&rst
ixpk= 287, nxpk= 0, iat= 342, 491, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 24 THR QG2 25 LEU HN 3.88 (#peak 1870)
&rst
ixpk= 1870, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 349, 350, 351,
&end
#
# 24 THR QG2 26 ASP HA 5.16 (#peak 4316)
&rst
ixpk= 4316, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 349, 350, 351,
&end
#
# 24 THR QG2 33 SER HB2 6.15 (#peak 3963)
&rst
ixpk= 3963, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 349, 350, 351,
&end
#
# 24 THR QG2 33 SER HB3 5.87 (#peak 3962)
&rst
ixpk= 3962, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 349, 350, 351,
&end
#
# 25 LEU HN 25 LEU HB2 3.86 (#peak 964)
&rst
ixpk= 964, nxpk= 0, iat= 357, 361, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 25 LEU HN 25 LEU HG 4.53 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 LEU HN 25 LEU QD1 4.23 (#peak 2202)
&rst
ixpk= 2202, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 366, 367, 368,
&end
#
# 25 LEU HN 25 LEU QD2 4.04 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 370, 371, 372,
&end
#
# 25 LEU HA 25 LEU HG 3.89 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 LEU HA 25 LEU QD1 4.09 (#peak 1064)
&rst
ixpk= 1064, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 366, 367, 368,
&end
#
# 25 LEU HA 25 LEU QD2 3.71 (#peak 67)
&rst
ixpk= 67, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 370, 371, 372,
&end
#
# 25 LEU HA 32 LEU HA 4.91 (#peak 4273)
&rst
ixpk= 4273, nxpk= 0, iat= 359, 465, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 25 LEU HA 33 SER HN 6.15 (#peak 1755)
&rst
ixpk= 1755, nxpk= 0, iat= 359, 482, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HB2 25 LEU QD1 3.63 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 366, 367, 368,
&end
#
# 25 LEU HB2 25 LEU QD2 3.68 (#peak 963)
&rst
ixpk= 963, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 370, 371, 372,
&end
#
# 25 LEU HB2 26 ASP HN 4.72 (#peak 972)
&rst
ixpk= 972, nxpk= 0, iat= 361, 376, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 25 LEU HB2 28 ASP HN 6.15 (#peak 1848)
&rst
ixpk= 1848, nxpk= 0, iat= 361, 399, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HB2 29 ASN HN 6.15 (#peak 1849)
&rst
ixpk= 1849, nxpk= 0, iat= 361, 411, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HB2 29 ASN HA 5.84 (#peak 4328)
&rst
ixpk= 4328, nxpk= 0, iat= 361, 413, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 25 LEU HB2 29 ASN HD22 6.15 (#peak 1852)
&rst
ixpk= 1852, nxpk= 0, iat= 361, 421, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HB3 25 LEU QD1 3.77 (#peak 2756)
&rst
ixpk= 2756, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 366, 367, 368,
&end
#
# 25 LEU HB3 25 LEU QD2 3.81 (#peak 2750)
&rst
ixpk= 2750, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 370, 371, 372,
&end
#
# 25 LEU HB3 26 ASP HN 4.88 (#peak 2759)
&rst
ixpk= 2759, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 25 LEU HB3 28 ASP HN 6.15 (#peak 1847)
&rst
ixpk= 1847, nxpk= 0, iat= 362, 399, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HB3 29 ASN HN 6.15 (#peak 1850)
&rst
ixpk= 1850, nxpk= 0, iat= 362, 411, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HB3 29 ASN HA 5.31 (#peak 4326)
&rst
ixpk= 4326, nxpk= 0, iat= 362, 413, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 25 LEU HB3 29 ASN HD22 6.15 (#peak 1851)
&rst
ixpk= 1851, nxpk= 0, iat= 362, 421, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 LEU HG 26 ASP HN 5.72 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat= 364, 376, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 25 LEU HG 29 ASN HA 4.92 (#peak 4327)
&rst
ixpk= 4327, nxpk= 0, iat= 364, 413, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 25 LEU QD1 26 ASP HN 5.90 (#peak 2210)
&rst
ixpk= 2210, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 366, 367, 368,
&end
#
# 25 LEU QD1 29 ASN HA 4.86 (#peak 4325)
&rst
ixpk= 4325, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 366, 367, 368,
&end
#
# 25 LEU QD1 29 ASN HD21 6.15 (#peak 1841)
&rst
ixpk= 1841, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 366, 367, 368,
&end
#
# 25 LEU QD1 29 ASN HD22 6.15 (#peak 1868)
&rst
ixpk= 1868, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 366, 367, 368,
&end
#
# 25 LEU QD1 32 LEU QD1 4.64 (#peak 3987)
&rst
ixpk= 3987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 366, 367, 368,
igr2= 472, 473, 474,
&end
#
# 25 LEU QD1 32 LEU QD2 5.47 (#peak 3988)
&rst
ixpk= 3988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 366, 367, 368,
igr2= 476, 477, 478,
&end
#
# 25 LEU QD2 26 ASP HN 5.77 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 370, 371, 372,
&end
#
# 25 LEU QD2 29 ASN HA 4.79 (#peak 4324)
&rst
ixpk= 4324, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 370, 371, 372,
&end
#
# 25 LEU QD2 32 LEU HN 5.41 (#peak 3884)
&rst
ixpk= 3884, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 370, 371, 372,
&end
#
# 25 LEU QD2 32 LEU QD1 4.93 (#peak 3989)
&rst
ixpk= 3989, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 370, 371, 372,
igr2= 472, 473, 474,
&end
#
# 25 LEU QD2 32 LEU QD2 4.93 (#peak 3990)
&rst
ixpk= 3990, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 370, 371, 372,
igr2= 476, 477, 478,
&end
#
# 25 LEU QD2 33 SER HN 6.15 (#peak 3886)
&rst
ixpk= 3886, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 370, 371, 372,
&end
#
# 26 ASP HN 27 SER HN 6.15 (#peak 1696)
&rst
ixpk= 1696, nxpk= 0, iat= 376, 388, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 26 ASP HN 29 ASN HA 6.15 (#peak 1832)
&rst
ixpk= 1832, nxpk= 0, iat= 376, 413, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 26 ASP HN 31 LEU HN 6.15 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat= 376, 444, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 26 ASP HB2 27 SER HN 6.11 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat= 380, 388, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 26 ASP HB2 31 LEU HG 4.79 (#peak 4002)
&rst
ixpk= 4002, nxpk= 0, iat= 380, 451, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 26 ASP HB2 31 LEU QB 4.69 (#peak 3969)
&rst
ixpk= 3969, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 448, 449,
&end
#
# 26 ASP HB2 31 LEU QD1 4.38 (#peak 3970)
&rst
ixpk= 3970, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 453, 454, 455,
&end
#
# 26 ASP HB2 31 LEU QD2 4.26 (#peak 4000)
&rst
ixpk= 4000, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 457, 458, 459,
&end
#
# 26 ASP HB3 27 SER HN 4.22 (#peak 434)
&rst
ixpk= 434, nxpk= 0, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 ASP HB3 31 LEU HG 5.33 (#peak 3968)
&rst
ixpk= 3968, nxpk= 0, iat= 381, 451, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 26 ASP HB3 31 LEU QD1 4.59 (#peak 4017)
&rst
ixpk= 4017, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 453, 454, 455,
&end
#
# 26 ASP HB3 31 LEU QD2 4.42 (#peak 3965)
&rst
ixpk= 3965, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 457, 458, 459,
&end
#
# 27 SER HN 27 SER HB2 3.62 (#peak 1609)
&rst
ixpk= 1609, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 27 SER HN 28 ASP HN 6.02 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat= 388, 399, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 27 SER HN 30 ILE QD1 6.15 (#peak 659)
&rst
ixpk= 659, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 438, 439, 440,
&end
#
# 27 SER HA 31 LEU HN 6.15 (#peak 1771)
&rst
ixpk= 1771, nxpk= 0, iat= 390, 444, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 SER HA 31 LEU QD1 6.15 (#peak 4337)
&rst
ixpk= 4337, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 453, 454, 455,
&end
#
# 27 SER HA 31 LEU QD2 5.23 (#peak 4336)
&rst
ixpk= 4336, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 457, 458, 459,
&end
#
# 27 SER HB2 28 ASP HN 4.50 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat= 392, 399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 SER HB2 30 ILE HB 5.93 (#peak 4066)
&rst
ixpk= 4066, nxpk= 0, iat= 392, 429, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 27 SER HB2 30 ILE HG12 5.14 (#peak 3901)
&rst
ixpk= 3901, nxpk= 0, iat= 392, 435, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 27 SER HB2 30 ILE HG13 5.76 (#peak 4126)
&rst
ixpk= 4126, nxpk= 0, iat= 392, 436, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 27 SER HB2 30 ILE QD1 4.66 (#peak 4122)
&rst
ixpk= 4122, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 438, 439, 440,
&end
#
# 27 SER HB2 30 ILE QG2 5.94 (#peak 4125)
&rst
ixpk= 4125, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 431, 432, 433,
&end
#
# 27 SER HB2 31 LEU QD1 4.83 (#peak 3891)
&rst
ixpk= 3891, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 453, 454, 455,
&end
#
# 27 SER HB2 31 LEU QD2 6.04 (#peak 3894)
&rst
ixpk= 3894, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 457, 458, 459,
&end
#
# 27 SER HB3 28 ASP HN 5.53 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat= 393, 399, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 27 SER HB3 30 ILE HB 6.15 (#peak 4064)
&rst
ixpk= 4064, nxpk= 0, iat= 393, 429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 SER HB3 30 ILE HG12 6.03 (#peak 4120)
&rst
ixpk= 4120, nxpk= 0, iat= 393, 435, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 27 SER HB3 30 ILE HG13 5.36 (#peak 4127)
&rst
ixpk= 4127, nxpk= 0, iat= 393, 436, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 27 SER HB3 30 ILE QD1 4.24 (#peak 4123)
&rst
ixpk= 4123, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 438, 439, 440,
&end
#
# 27 SER HB3 30 ILE QG2 5.23 (#peak 4124)
&rst
ixpk= 4124, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 431, 432, 433,
&end
#
# 28 ASP HN 28 ASP HB2 3.70 (#peak 3353)
&rst
ixpk= 3353, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 28 ASP HN 29 ASN HN 4.87 (#peak 1476)
&rst
ixpk= 1476, nxpk= 0, iat= 399, 411, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 28 ASP HN 30 ILE HB 6.15 (#peak 1835)
&rst
ixpk= 1835, nxpk= 0, iat= 399, 429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 ASP HN 30 ILE HG12 6.15 (#peak 1834)
&rst
ixpk= 1834, nxpk= 0, iat= 399, 435, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 ASP HN 30 ILE HG13 6.15 (#peak 1833)
&rst
ixpk= 1833, nxpk= 0, iat= 399, 436, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 ASP HN 30 ILE QD1 6.15 (#peak 1836)
&rst
ixpk= 1836, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 438, 439, 440,
&end
#
# 28 ASP HN 30 ILE QG2 6.15 (#peak 1837)
&rst
ixpk= 1837, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 431, 432, 433,
&end
#
# 28 ASP HB2 29 ASN HN 5.43 (#peak 3355)
&rst
ixpk= 3355, nxpk= 0, iat= 403, 411, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 28 ASP HB2 30 ILE HG12 4.91 (#peak 4341)
&rst
ixpk= 4341, nxpk= 0, iat= 403, 435, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 28 ASP HB2 30 ILE HG13 5.97 (#peak 4340)
&rst
ixpk= 4340, nxpk= 0, iat= 403, 436, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 28 ASP HB2 30 ILE QD1 4.91 (#peak 4338)
&rst
ixpk= 4338, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 438, 439, 440,
&end
#
# 28 ASP HB2 30 ILE QG2 6.15 (#peak 4339)
&rst
ixpk= 4339, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 431, 432, 433,
&end
#
# 28 ASP HB3 29 ASN HN 4.79 (#peak 3769)
&rst
ixpk= 3769, nxpk= 0, iat= 404, 411, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 ASP HB3 30 ILE HN 6.15 (#peak 1716)
&rst
ixpk= 1716, nxpk= 0, iat= 404, 425, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 ASP HB3 30 ILE HG12 4.93 (#peak 4342)
&rst
ixpk= 4342, nxpk= 0, iat= 404, 435, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 28 ASP HB3 30 ILE HG13 6.15 (#peak 3897)
&rst
ixpk= 3897, nxpk= 0, iat= 404, 436, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 28 ASP HB3 30 ILE QD1 5.64 (#peak 3896)
&rst
ixpk= 3896, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 438, 439, 440,
&end
#
# 28 ASP HB3 30 ILE QG2 5.63 (#peak 4344)
&rst
ixpk= 4344, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 431, 432, 433,
&end
#
# 29 ASN HN 29 ASN HB2 4.20 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 ASN HN 29 ASN HD21 6.15 (#peak 1480)
&rst
ixpk= 1480, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 29 ASN HN 29 ASN HD22 6.15 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat= 411, 421, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 29 ASN HN 30 ILE HN 5.43 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= 411, 425, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 ASN HN 30 ILE HG12 6.15 (#peak 1839)
&rst
ixpk= 1839, nxpk= 0, iat= 411, 435, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 29 ASN HN 30 ILE HG13 6.15 (#peak 1838)
&rst
ixpk= 1838, nxpk= 0, iat= 411, 436, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 29 ASN HN 30 ILE QG2 6.15 (#peak 1479)
&rst
ixpk= 1479, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 431, 432, 433,
&end
#
# 29 ASN HA 29 ASN HD22 5.57 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= 413, 421, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 29 ASN HB2 29 ASN HD21 3.88 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= 415, 420, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 29 ASN HB2 30 ILE HN 4.71 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= 415, 425, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 29 ASN HB2 32 LEU QD1 6.12 (#peak 4320)
&rst
ixpk= 4320, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 472, 473, 474,
&end
#
# 29 ASN HB3 29 ASN HD21 3.74 (#peak 2982)
&rst
ixpk= 2982, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 29 ASN HB3 30 ILE HN 5.66 (#peak 2980)
&rst
ixpk= 2980, nxpk= 0, iat= 416, 425, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 29 ASN HB3 32 LEU QD1 5.73 (#peak 4319)
&rst
ixpk= 4319, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 472, 473, 474,
&end
#
# 29 ASN HD21 30 ILE QG2 6.15 (#peak 1842)
&rst
ixpk= 1842, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 431, 432, 433,
&end
#
# 30 ILE HN 30 ILE HB 4.17 (#peak 1879)
&rst
ixpk= 1879, nxpk= 0, iat= 425, 429, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 30 ILE HN 30 ILE HG12 3.95 (#peak 3604)
&rst
ixpk= 3604, nxpk= 0, iat= 425, 435, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 30 ILE HN 30 ILE HG13 4.24 (#peak 2559)
&rst
ixpk= 2559, nxpk= 0, iat= 425, 436, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 ILE HN 30 ILE QD1 4.61 (#peak 3159)
&rst
ixpk= 3159, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 438, 439, 440,
&end
#
# 30 ILE HN 30 ILE QG2 4.27 (#peak 1417)
&rst
ixpk= 1417, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 431, 432, 433,
&end
#
# 30 ILE HN 31 LEU HN 4.34 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= 425, 444, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 30 ILE HA 30 ILE HG12 3.80 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 30 ILE HA 30 ILE QD1 4.62 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 438, 439, 440,
&end
#
# 30 ILE HA 30 ILE QG2 3.59 (#peak 1574)
&rst
ixpk= 1574, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 431, 432, 433,
&end
#
# 30 ILE HB 30 ILE QD1 3.65 (#peak 3162)
&rst
ixpk= 3162, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 438, 439, 440,
&end
#
# 30 ILE HB 31 LEU HN 4.24 (#peak 1878)
&rst
ixpk= 1878, nxpk= 0, iat= 429, 444, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 ILE HG13 31 LEU HN 5.03 (#peak 2558)
&rst
ixpk= 2558, nxpk= 0, iat= 436, 444, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 30 ILE QD1 31 LEU HN 4.77 (#peak 3158)
&rst
ixpk= 3158, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 438, 439, 440,
&end
#
# 30 ILE QG2 30 ILE HG12 3.61 (#peak 3605)
&rst
ixpk= 3605, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 431, 432, 433,
&end
#
# 30 ILE QG2 30 ILE HG13 3.35 (#peak 2560)
&rst
ixpk= 2560, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 431, 432, 433,
&end
#
# 30 ILE QG2 30 ILE QD1 2.75 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 431, 432, 433,
igr2= 438, 439, 440,
&end
#
# 30 ILE QG2 31 LEU HN 4.27 (#peak 1416)
&rst
ixpk= 1416, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 431, 432, 433,
&end
#
# 31 LEU HN 31 LEU HG 4.64 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 31 LEU HN 31 LEU QB 3.78 (#peak 2212)
&rst
ixpk= 2212, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 448, 449,
&end
#
# 31 LEU HN 31 LEU QD1 4.73 (#peak 1621)
&rst
ixpk= 1621, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 453, 454, 455,
&end
#
# 31 LEU HN 31 LEU QD2 5.04 (#peak 3366)
&rst
ixpk= 3366, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 457, 458, 459,
&end
#
# 31 LEU HN 32 LEU HN 6.15 (#peak 1666)
&rst
ixpk= 1666, nxpk= 0, iat= 444, 463, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 31 LEU HA 31 LEU QD1 3.21 (#peak 1624)
&rst
ixpk= 1624, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 453, 454, 455,
&end
#
# 31 LEU HA 31 LEU QD2 4.35 (#peak 3369)
&rst
ixpk= 3369, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 457, 458, 459,
&end
#
# 31 LEU HG 32 LEU HN 4.89 (#peak 77)
&rst
ixpk= 77, nxpk= 0, iat= 451, 463, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 31 LEU QB 31 LEU HG 2.75 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr1= 448, 449,
&end
#
# 31 LEU QB 31 LEU QD1 2.76 (#peak 1623)
&rst
ixpk= 1623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 448, 449,
igr2= 453, 454, 455,
&end
#
# 31 LEU QB 31 LEU QD2 2.46 (#peak 2216)
&rst
ixpk= 2216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 448, 449,
igr2= 457, 458, 459,
&end
#
# 31 LEU QB 32 LEU HN 4.19 (#peak 2217)
&rst
ixpk= 2217, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 448, 449,
&end
#
# 31 LEU QD1 32 LEU HN 4.94 (#peak 1626)
&rst
ixpk= 1626, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 453, 454, 455,
&end
#
# 31 LEU QD1 33 SER HB2 5.27 (#peak 4332)
&rst
ixpk= 4332, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 453, 454, 455,
&end
#
# 31 LEU QD1 33 SER HB3 6.15 (#peak 4329)
&rst
ixpk= 4329, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 453, 454, 455,
&end
#
# 31 LEU QD2 32 LEU HN 5.96 (#peak 3371)
&rst
ixpk= 3371, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 457, 458, 459,
&end
#
# 31 LEU QD2 33 SER HB2 5.44 (#peak 4331)
&rst
ixpk= 4331, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 457, 458, 459,
&end
#
# 31 LEU QD2 33 SER HB3 5.32 (#peak 4330)
&rst
ixpk= 4330, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 457, 458, 459,
&end
#
# 32 LEU HN 32 LEU HB2 3.71 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 463, 467, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 32 LEU HN 32 LEU HG 5.02 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat= 463, 470, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 32 LEU HN 32 LEU QD1 4.66 (#peak 1671)
&rst
ixpk= 1671, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 472, 473, 474,
&end
#
# 32 LEU HN 32 LEU QD2 5.71 (#peak 3625)
&rst
ixpk= 3625, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 476, 477, 478,
&end
#
# 32 LEU HN 33 SER HN 5.88 (#peak 1391)
&rst
ixpk= 1391, nxpk= 0, iat= 463, 482, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 32 LEU HA 32 LEU HG 4.03 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 32 LEU HA 32 LEU QD1 3.82 (#peak 761)
&rst
ixpk= 761, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 472, 473, 474,
&end
#
# 32 LEU HA 32 LEU QD2 4.14 (#peak 3620)
&rst
ixpk= 3620, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 476, 477, 478,
&end
#
# 32 LEU HB2 32 LEU QD1 3.58 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 472, 473, 474,
&end
#
# 32 LEU HB2 32 LEU QD2 3.41 (#peak 3619)
&rst
ixpk= 3619, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 476, 477, 478,
&end
#
# 32 LEU HB2 33 SER HN 4.98 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= 467, 482, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 32 LEU HB3 32 LEU QD1 3.27 (#peak 2481)
&rst
ixpk= 2481, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 472, 473, 474,
&end
#
# 32 LEU HB3 32 LEU QD2 3.27 (#peak 3622)
&rst
ixpk= 3622, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 476, 477, 478,
&end
#
# 32 LEU HB3 33 SER HN 5.05 (#peak 2483)
&rst
ixpk= 2483, nxpk= 0, iat= 468, 482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 32 LEU HG 33 SER HN 6.10 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= 470, 482, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 32 LEU QD1 33 SER HN 5.12 (#peak 1905)
&rst
ixpk= 1905, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 472, 473, 474,
&end
#
# 32 LEU QD2 33 SER HN 6.15 (#peak 1390)
&rst
ixpk= 1390, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 476, 477, 478,
&end
#
# 33 SER HN 24 THR O 2.4
&rst
ixpk= 1390, nxpk= 0, iat= 482, 355, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 33 SER HN 33 SER HB3 3.50 (#peak 2378)
&rst
ixpk= 2378, nxpk= 0, iat= 482, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 SER HN 34 GLU HN 6.15 (#peak 1388)
&rst
ixpk= 1388, nxpk= 0, iat= 482, 493, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 33 SER HA 34 GLU QB 5.06 (#peak 3905)
&rst
ixpk= 3905, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 497, 498,
&end
#
# 33 SER HA 34 GLU QG 4.83 (#peak 3904)
&rst
ixpk= 3904, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 500, 501,
&end
#
# 33 SER HB2 34 GLU HN 4.66 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= 486, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 33 SER HB3 34 GLU HN 5.07 (#peak 2377)
&rst
ixpk= 2377, nxpk= 0, iat= 487, 493, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 33 SER N 24 THR O 3.3
&rst
ixpk= 2377, nxpk= 0, iat= 481, 355, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 GLU HN 34 GLU QB 4.10 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 497, 498,
&end
#
# 34 GLU HN 34 GLU QG 4.44 (#peak 1812)
&rst
ixpk= 1812, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 500, 501,
&end
#
# 34 GLU HN 35 GLU HN 6.15 (#peak 1568)
&rst
ixpk= 1568, nxpk= 0, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 34 GLU HN 35 GLU QG 5.39 (#peak 2384)
&rst
ixpk= 2384, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 515, 516,
&end
#
# 34 GLU HA 34 GLU QB 2.62 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 497, 498,
&end
#
# 34 GLU HA 34 GLU QG 2.55 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2= 500, 501,
&end
#
# 34 GLU HA 35 GLU HN 2.88 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= 495, 508, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 34 GLU QB 34 GLU QG 2.40 (#peak 1808)
&rst
ixpk= 1808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 497, 498,
igr2= 500, 501,
&end
#
# 34 GLU QB 35 GLU HN 3.48 (#peak 236)
&rst
ixpk= 236, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 497, 498,
&end
#
# 34 GLU QG 35 GLU HN 4.65 (#peak 1813)
&rst
ixpk= 1813, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 500, 501,
&end
#
# 35 GLU HN 22 ILE O 2.4
&rst
ixpk= 1813, nxpk= 0, iat= 508, 325, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 35 GLU HN 35 GLU HB2 3.51 (#peak 730)
&rst
ixpk= 730, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 35 GLU HN 35 GLU HB3 4.16 (#peak 2121)
&rst
ixpk= 2121, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 35 GLU HN 35 GLU QG 3.62 (#peak 2385)
&rst
ixpk= 2385, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 515, 516,
&end
#
# 35 GLU HN 36 GLN HN 6.15 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= 508, 523, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 35 GLU HN 37 VAL QG1 6.15 (#peak 2137)
&rst
ixpk= 2137, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 546, 547, 548,
&end
#
# 35 GLU HA 35 GLU QG 3.35 (#peak 2382)
&rst
ixpk= 2382, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 515, 516,
&end
#
# 35 GLU HA 36 GLN HN 2.56 (#peak 2360)
&rst
ixpk= 2360, nxpk= 0, iat= 510, 523, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 35 GLU N 22 ILE O 3.3
&rst
ixpk= 2360, nxpk= 0, iat= 507, 325, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 36 GLN HN 36 GLN HB2 3.44 (#peak 1350)
&rst
ixpk= 1350, nxpk= 0, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 36 GLN HN 36 GLN HE21 6.15 (#peak 837)
&rst
ixpk= 837, nxpk= 0, iat= 523, 535, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 GLN HN 36 GLN HG2 3.91 (#peak 3106)
&rst
ixpk= 3106, nxpk= 0, iat= 523, 530, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 36 GLN HN 36 GLN HG3 4.10 (#peak 1966)
&rst
ixpk= 1966, nxpk= 0, iat= 523, 531, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 36 GLN HN 37 VAL HN 6.15 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= 523, 540, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 GLN HA 36 GLN HE21 5.28 (#peak 1793)
&rst
ixpk= 1793, nxpk= 0, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 36 GLN HA 36 GLN HE22 4.84 (#peak 1794)
&rst
ixpk= 1794, nxpk= 0, iat= 525, 536, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 36 GLN HA 36 GLN HG2 3.71 (#peak 3108)
&rst
ixpk= 3108, nxpk= 0, iat= 525, 530, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 36 GLN HA 36 GLN HG3 4.13 (#peak 1791)
&rst
ixpk= 1791, nxpk= 0, iat= 525, 531, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 36 GLN HA 37 VAL HN 2.78 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 36 GLN HA 37 VAL QG1 5.41 (#peak 1792)
&rst
ixpk= 1792, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 546, 547, 548,
&end
#
# 36 GLN HA 37 VAL QG2 4.61 (#peak 12)
&rst
ixpk= 12, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 550, 551, 552,
&end
#
# 36 GLN HB2 36 GLN HE21 4.12 (#peak 1354)
&rst
ixpk= 1354, nxpk= 0, iat= 527, 535, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 36 GLN HB2 36 GLN HE22 5.13 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat= 527, 536, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 36 GLN HB2 37 VAL HN 5.14 (#peak 1349)
&rst
ixpk= 1349, nxpk= 0, iat= 527, 540, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 36 GLN HB3 36 GLN HE21 2.71 (#peak 3841)
&rst
ixpk= 3841, nxpk= 0, iat= 528, 535, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 36 GLN HB3 36 GLN HE22 3.61 (#peak 3842)
&rst
ixpk= 3842, nxpk= 0, iat= 528, 536, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 36 GLN HB3 37 VAL HN 5.49 (#peak 3836)
&rst
ixpk= 3836, nxpk= 0, iat= 528, 540, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 36 GLN HE22 37 VAL HN 6.15 (#peak 1039)
&rst
ixpk= 1039, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 GLN HG2 36 GLN HE21 3.06 (#peak 3110)
&rst
ixpk= 3110, nxpk= 0, iat= 530, 535, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 36 GLN HG2 37 VAL HN 4.93 (#peak 3105)
&rst
ixpk= 3105, nxpk= 0, iat= 530, 540, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 36 GLN HG3 36 GLN HE21 3.85 (#peak 1970)
&rst
ixpk= 1970, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 37 VAL HN 20 ALA O 2.4
&rst
ixpk= 1970, nxpk= 0, iat= 540, 292, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 37 VAL HN 37 VAL HB 4.19 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= 540, 544, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 37 VAL HN 37 VAL QG1 3.13 (#peak 2131)
&rst
ixpk= 2131, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 546, 547, 548,
&end
#
# 37 VAL HN 37 VAL QG2 3.10 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 550, 551, 552,
&end
#
# 37 VAL HN 38 ASP HN 6.15 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 540, 556, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 37 VAL HA 37 VAL HB 2.73 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat= 542, 544, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 37 VAL HA 37 VAL QG1 2.59 (#peak 2136)
&rst
ixpk= 2136, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 546, 547, 548,
&end
#
# 37 VAL HA 37 VAL QG2 3.68 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 550, 551, 552,
&end
#
# 37 VAL HA 38 ASP HN 2.81 (#peak 2954)
&rst
ixpk= 2954, nxpk= 0, iat= 542, 556, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 37 VAL HB 38 ASP HN 3.15 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 37 VAL HB 41 LEU QD2 5.32 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 612, 613, 614,
&end
#
# 37 VAL N 20 ALA O 3.3
&rst
ixpk= 522, nxpk= 0, iat= 539, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 37 VAL QG1 38 ASP HN 4.52 (#peak 2133)
&rst
ixpk= 2133, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 546, 547, 548,
&end
#
# 37 VAL QG2 38 ASP HN 3.56 (#peak 11)
&rst
ixpk= 11, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 550, 551, 552,
&end
#
# 38 ASP HN 38 ASP HB3 3.89 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 38 ASP HN 39 VAL HN 6.15 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat= 556, 568, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 38 ASP HN 40 GLU HN 5.63 (#peak 1738)
&rst
ixpk= 1738, nxpk= 0, iat= 556, 584, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 38 ASP HN 41 LEU HB2 5.45 (#peak 3800)
&rst
ixpk= 3800, nxpk= 0, iat= 556, 603, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 38 ASP HN 41 LEU HB3 5.27 (#peak 3207)
&rst
ixpk= 3207, nxpk= 0, iat= 556, 604, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 38 ASP HN 41 LEU QD1 3.81 (#peak 3281)
&rst
ixpk= 3281, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 608, 609, 610,
&end
#
# 38 ASP HN 41 LEU QD2 4.76 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 612, 613, 614,
&end
#
# 38 ASP HA 39 VAL HN 2.90 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 38 ASP HA 41 LEU QD1 4.64 (#peak 3286)
&rst
ixpk= 3286, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 608, 609, 610,
&end
#
# 38 ASP HA 41 LEU QD2 6.15 (#peak 1108)
&rst
ixpk= 1108, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 612, 613, 614,
&end
#
# 38 ASP HB2 39 VAL HN 4.74 (#peak 3677)
&rst
ixpk= 3677, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 ASP HB2 39 VAL QG1 5.31 (#peak 3672)
&rst
ixpk= 3672, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 574, 575, 576,
&end
#
# 38 ASP HB2 40 GLU HN 4.48 (#peak 3674)
&rst
ixpk= 3674, nxpk= 0, iat= 560, 584, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 ASP HB2 41 LEU HN 5.59 (#peak 1746)
&rst
ixpk= 1746, nxpk= 0, iat= 560, 599, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 38 ASP HB2 41 LEU HG 4.71 (#peak 4095)
&rst
ixpk= 4095, nxpk= 0, iat= 560, 606, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 38 ASP HB2 41 LEU QD1 3.80 (#peak 4087)
&rst
ixpk= 4087, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 608, 609, 610,
&end
#
# 38 ASP HB3 39 VAL HN 4.21 (#peak 1551)
&rst
ixpk= 1551, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 38 ASP HB3 40 GLU HN 6.15 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= 561, 584, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 38 ASP HB3 41 LEU HN 5.52 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat= 561, 599, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 38 ASP HB3 41 LEU HG 4.04 (#peak 4085)
&rst
ixpk= 4085, nxpk= 0, iat= 561, 606, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 38 ASP HB3 41 LEU QD1 4.26 (#peak 4086)
&rst
ixpk= 4086, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 608, 609, 610,
&end
#
# 38 ASP HB3 41 LEU QD2 5.33 (#peak 4083)
&rst
ixpk= 4083, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 612, 613, 614,
&end
#
# 39 VAL HN 39 VAL HB 3.21 (#peak 2922)
&rst
ixpk= 2922, nxpk= 0, iat= 568, 572, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 39 VAL HN 39 VAL QG1 3.69 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 574, 575, 576,
&end
#
# 39 VAL HN 39 VAL QG2 4.28 (#peak 2391)
&rst
ixpk= 2391, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 578, 579, 580,
&end
#
# 39 VAL HN 40 GLU HN 6.15 (#peak 1544)
&rst
ixpk= 1544, nxpk= 0, iat= 568, 584, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 39 VAL HA 39 VAL HB 2.98 (#peak 3571)
&rst
ixpk= 3571, nxpk= 0, iat= 570, 572, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 39 VAL HA 39 VAL QG1 3.67 (#peak 735)
&rst
ixpk= 735, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 574, 575, 576,
&end
#
# 39 VAL HA 39 VAL QG2 2.61 (#peak 3569)
&rst
ixpk= 3569, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 578, 579, 580,
&end
#
# 39 VAL HA 41 LEU HN 4.68 (#peak 4298)
&rst
ixpk= 4298, nxpk= 0, iat= 570, 599, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 VAL HA 42 VAL HN 4.95 (#peak 4297)
&rst
ixpk= 4297, nxpk= 0, iat= 570, 618, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 39 VAL HA 42 VAL HB 4.83 (#peak 3570)
&rst
ixpk= 3570, nxpk= 0, iat= 570, 622, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 39 VAL QG2 40 GLU HN 4.59 (#peak 2387)
&rst
ixpk= 2387, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 578, 579, 580,
&end
#
# 39 VAL QG2 58 VAL QG2 4.12 (#peak 4358)
&rst
ixpk= 4358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 578, 579, 580,
igr2= 880, 881, 882,
&end
#
# 40 GLU HN 40 GLU HB2 3.19 (#peak 1472)
&rst
ixpk= 1472, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 40 GLU HN 40 GLU HB3 3.81 (#peak 1814)
&rst
ixpk= 1814, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 40 GLU HN 40 GLU QG 4.29 (#peak 3516)
&rst
ixpk= 3516, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 591, 592,
&end
#
# 40 GLU HN 41 LEU HN 5.52 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat= 584, 599, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 40 GLU HN 41 LEU HA 6.15 (#peak 1743)
&rst
ixpk= 1743, nxpk= 0, iat= 584, 601, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 GLU HN 41 LEU HB3 6.15 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 584, 604, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 GLU HN 42 VAL HN 6.15 (#peak 1394)
&rst
ixpk= 1394, nxpk= 0, iat= 584, 618, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 GLU HA 40 GLU HB2 2.86 (#peak 1475)
&rst
ixpk= 1475, nxpk= 0, iat= 586, 588, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 40 GLU HA 40 GLU QG 2.69 (#peak 3519)
&rst
ixpk= 3519, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2= 591, 592,
&end
#
# 40 GLU HA 42 VAL HN 6.15 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= 586, 618, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 GLU HB2 41 LEU HN 4.62 (#peak 1476)
&rst
ixpk= 1476, nxpk= 0, iat= 588, 599, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 40 GLU HB2 41 LEU QD1 6.15 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 608, 609, 610,
&end
#
# 40 GLU HB2 41 LEU QD2 5.97 (#peak 4093)
&rst
ixpk= 4093, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 612, 613, 614,
&end
#
# 40 GLU HB3 40 GLU QG 2.40 (#peak 3518)
&rst
ixpk= 3518, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 591, 592,
&end
#
# 40 GLU HB3 41 LEU HN 4.63 (#peak 1818)
&rst
ixpk= 1818, nxpk= 0, iat= 589, 599, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 40 GLU HB3 41 LEU QD1 5.23 (#peak 1819)
&rst
ixpk= 1819, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 608, 609, 610,
&end
#
# 40 GLU HB3 41 LEU QD2 4.61 (#peak 4094)
&rst
ixpk= 4094, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 612, 613, 614,
&end
#
# 40 GLU QG 41 LEU HN 4.78 (#peak 3520)
&rst
ixpk= 3520, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 591, 592,
&end
#
# 40 GLU QG 41 LEU QD2 4.67 (#peak 4091)
&rst
ixpk= 4091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 591, 592,
igr2= 612, 613, 614,
&end
#
# 41 LEU HN 41 LEU HB3 4.19 (#peak 3212)
&rst
ixpk= 3212, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 41 LEU HN 41 LEU HG 4.87 (#peak 1525)
&rst
ixpk= 1525, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 41 LEU HN 41 LEU QD1 4.69 (#peak 3287)
&rst
ixpk= 3287, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 608, 609, 610,
&end
#
# 41 LEU HN 41 LEU QD2 4.75 (#peak 1109)
&rst
ixpk= 1109, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 612, 613, 614,
&end
#
# 41 LEU HN 42 VAL HN 5.11 (#peak 1400)
&rst
ixpk= 1400, nxpk= 0, iat= 599, 618, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 41 LEU HA 41 LEU HG 3.80 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat= 601, 606, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 41 LEU HA 41 LEU QD1 4.26 (#peak 3280)
&rst
ixpk= 3280, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 608, 609, 610,
&end
#
# 41 LEU HA 41 LEU QD2 3.08 (#peak 453)
&rst
ixpk= 453, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 612, 613, 614,
&end
#
# 41 LEU HA 43 GLN HN 6.15 (#peak 456)
&rst
ixpk= 456, nxpk= 0, iat= 601, 634, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 LEU HB2 41 LEU HG 2.63 (#peak 3802)
&rst
ixpk= 3802, nxpk= 0, iat= 603, 606, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 41 LEU HB2 41 LEU QD1 2.73 (#peak 3290)
&rst
ixpk= 3290, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 608, 609, 610,
&end
#
# 41 LEU HB2 41 LEU QD2 3.27 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 612, 613, 614,
&end
#
# 41 LEU HB2 42 VAL HN 4.65 (#peak 3807)
&rst
ixpk= 3807, nxpk= 0, iat= 603, 618, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 LEU HB3 41 LEU QD1 3.23 (#peak 3215)
&rst
ixpk= 3215, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 608, 609, 610,
&end
#
# 41 LEU HB3 41 LEU QD2 2.94 (#peak 3209)
&rst
ixpk= 3209, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 612, 613, 614,
&end
#
# 41 LEU HB3 42 VAL HN 5.90 (#peak 3216)
&rst
ixpk= 3216, nxpk= 0, iat= 604, 618, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 41 LEU HG 42 VAL HN 6.15 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 VAL HN 42 VAL HB 4.02 (#peak 2896)
&rst
ixpk= 2896, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 42 VAL HN 42 VAL QG1 3.94 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 624, 625, 626,
&end
#
# 42 VAL HN 42 VAL QG2 4.09 (#peak 1756)
&rst
ixpk= 1756, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 628, 629, 630,
&end
#
# 42 VAL HN 43 GLN HN 6.15 (#peak 1402)
&rst
ixpk= 1402, nxpk= 0, iat= 618, 634, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 VAL HN 43 GLN HA 6.15 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= 618, 636, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 VAL HA 42 VAL QG1 3.64 (#peak 1627)
&rst
ixpk= 1627, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 624, 625, 626,
&end
#
# 42 VAL HA 42 VAL QG2 3.80 (#peak 1752)
&rst
ixpk= 1752, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 628, 629, 630,
&end
#
# 42 VAL HB 43 GLN HN 5.73 (#peak 2895)
&rst
ixpk= 2895, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 42 VAL QG1 43 GLN HN 4.62 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 624, 625, 626,
&end
#
# 42 VAL QG1 58 VAL QG1 4.89 (#peak 4221)
&rst
ixpk= 4221, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 624, 625, 626,
igr2= 876, 877, 878,
&end
#
# 42 VAL QG2 43 GLN HN 4.23 (#peak 1755)
&rst
ixpk= 1755, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 628, 629, 630,
&end
#
# 43 GLN HN 43 GLN HB2 4.16 (#peak 1055)
&rst
ixpk= 1055, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 43 GLN HN 43 GLN HE21 6.15 (#peak 1246)
&rst
ixpk= 1246, nxpk= 0, iat= 634, 646, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HN 43 GLN HG2 4.25 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= 634, 641, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 43 GLN HN 43 GLN HG3 4.31 (#peak 2964)
&rst
ixpk= 2964, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 43 GLN HN 44 ARG HN 6.15 (#peak 1252)
&rst
ixpk= 1252, nxpk= 0, iat= 634, 651, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HN 46 ASP HN 6.15 (#peak 1782)
&rst
ixpk= 1782, nxpk= 0, iat= 634, 682, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HA 107 VAL HN 6.15 (#peak 1865)
&rst
ixpk= 1865, nxpk= 0, iat= 636,1570, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HA 107 VAL QG1 5.14 (#peak 4263)
&rst
ixpk= 4263, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1576,1577,1578,
&end
#
# 43 GLN HA 107 VAL QG2 5.32 (#peak 4264)
&rst
ixpk= 4264, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1580,1581,1582,
&end
#
# 43 GLN HA 43 GLN HE21 6.15 (#peak 7)
&rst
ixpk= 7, nxpk= 0, iat= 636, 646, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HA 43 GLN HE22 6.15 (#peak 1410)
&rst
ixpk= 1410, nxpk= 0, iat= 636, 647, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HA 43 GLN HG2 4.24 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat= 636, 641, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 43 GLN HA 43 GLN HG3 3.98 (#peak 2962)
&rst
ixpk= 2962, nxpk= 0, iat= 636, 642, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 43 GLN HA 44 ARG HN 2.98 (#peak 2721)
&rst
ixpk= 2721, nxpk= 0, iat= 636, 651, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 43 GLN HB2 43 GLN HE21 3.74 (#peak 1047)
&rst
ixpk= 1047, nxpk= 0, iat= 638, 646, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 43 GLN HB2 43 GLN HE22 4.27 (#peak 1056)
&rst
ixpk= 1056, nxpk= 0, iat= 638, 647, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 43 GLN HB2 44 ARG HN 4.79 (#peak 1050)
&rst
ixpk= 1050, nxpk= 0, iat= 638, 651, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 43 GLN HB3 43 GLN HE21 5.68 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat= 639, 646, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 43 GLN HB3 43 GLN HE22 5.34 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= 639, 647, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 43 GLN HB3 44 ARG HN 4.63 (#peak 1329)
&rst
ixpk= 1329, nxpk= 0, iat= 639, 651, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 GLN HE21 44 ARG HN 6.15 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= 646, 651, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HE22 44 ARG HN 6.15 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 GLN HG2 43 GLN HE21 3.86 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= 641, 646, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 43 GLN HG2 44 ARG HN 5.07 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 43 GLN HG3 43 GLN HE21 3.93 (#peak 2957)
&rst
ixpk= 2957, nxpk= 0, iat= 642, 646, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 43 GLN HG3 44 ARG HN 4.76 (#peak 2960)
&rst
ixpk= 2960, nxpk= 0, iat= 642, 651, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 44 ARG HN 106 HIS HA 6.15 (#peak 1800)
&rst
ixpk= 1800, nxpk= 0, iat= 651,1555, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HN 107 VAL QG1 5.56 (#peak 2580)
&rst
ixpk= 2580, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1576,1577,1578,
&end
#
# 44 ARG HN 107 VAL QG2 4.65 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1580,1581,1582,
&end
#
# 44 ARG HN 44 ARG HD2 6.15 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HN 44 ARG HD3 6.15 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= 651, 662, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HN 44 ARG HG2 4.82 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= 651, 658, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 44 ARG HN 44 ARG HG3 4.90 (#peak 2836)
&rst
ixpk= 2836, nxpk= 0, iat= 651, 659, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 44 ARG HN 44 ARG QB 3.83 (#peak 2662)
&rst
ixpk= 2662, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 655, 656,
&end
#
# 44 ARG HN 45 GLY HN 6.15 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 651, 675, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HA 105 THR HA 3.97 (#peak 4292)
&rst
ixpk= 4292, nxpk= 0, iat= 653,1541, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 44 ARG HA 107 VAL QG1 5.90 (#peak 4283)
&rst
ixpk= 4283, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1576,1577,1578,
&end
#
# 44 ARG HA 107 VAL QG2 5.84 (#peak 4282)
&rst
ixpk= 4282, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1580,1581,1582,
&end
#
# 44 ARG HA 44 ARG HD2 6.15 (#peak 1532)
&rst
ixpk= 1532, nxpk= 0, iat= 653, 661, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HA 44 ARG HD3 6.15 (#peak 1535)
&rst
ixpk= 1535, nxpk= 0, iat= 653, 662, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HA 44 ARG HG2 3.80 (#peak 1531)
&rst
ixpk= 1531, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 44 ARG HA 44 ARG QB 3.01 (#peak 2663)
&rst
ixpk= 2663, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 655, 656,
&end
#
# 44 ARG HD3 105 THR HA 6.07 (#peak 2093)
&rst
ixpk= 2093, nxpk= 0, iat= 662,1541, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 44 ARG HD3 107 VAL QG1 3.84 (#peak 4286)
&rst
ixpk= 4286, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1576,1577,1578,
&end
#
# 44 ARG HD3 107 VAL QG2 4.85 (#peak 4285)
&rst
ixpk= 4285, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1580,1581,1582,
&end
#
# 44 ARG HD3 45 GLY HN 6.15 (#peak 1735)
&rst
ixpk= 1735, nxpk= 0, iat= 662, 675, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ARG HG2 105 THR HA 5.23 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= 658,1541, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 44 ARG HG2 45 GLY HN 4.82 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= 658, 675, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 44 ARG HG3 105 THR HA 5.08 (#peak 1313)
&rst
ixpk= 1313, nxpk= 0, iat= 659,1541, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 44 ARG HG3 106 HIS HN 6.00 (#peak 2842)
&rst
ixpk= 2842, nxpk= 0, iat= 659,1553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 ARG HG3 44 ARG HD2 2.87 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat= 659, 661, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 44 ARG HG3 45 GLY HN 5.05 (#peak 2833)
&rst
ixpk= 2833, nxpk= 0, iat= 659, 675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 44 ARG HG3 45 GLY HA2 5.21 (#peak 4280)
&rst
ixpk= 4280, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 44 ARG HG3 45 GLY HA3 5.21 (#peak 4290)
&rst
ixpk= 4290, nxpk= 0, iat= 659, 678, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 44 ARG QB 105 THR HA 3.96 (#peak 4293)
&rst
ixpk= 4293, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 655, 656,
&end
#
# 44 ARG QB 106 HIS HA 4.23 (#peak 4211)
&rst
ixpk= 4211, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 655, 656,
&end
#
# 44 ARG QB 44 ARG HD2 3.00 (#peak 2661)
&rst
ixpk= 2661, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 655, 656,
&end
#
# 44 ARG QB 44 ARG HD3 2.40 (#peak 2096)
&rst
ixpk= 2096, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1= 655, 656,
&end
#
# 44 ARG QB 45 GLY HN 4.12 (#peak 2659)
&rst
ixpk= 2659, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 655, 656,
&end
#
# 44 ARG QB 45 GLY HA2 5.13 (#peak 4279)
&rst
ixpk= 4279, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 655, 656,
&end
#
# 44 ARG QB 45 GLY HA3 6.06 (#peak 4288)
&rst
ixpk= 4288, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 655, 656,
&end
#
# 44 ARG QB 46 ASP HN 5.40 (#peak 2665)
&rst
ixpk= 2665, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 655, 656,
&end
#
# 45 GLY HN 105 THR HA 6.15 (#peak 1793)
&rst
ixpk= 1793, nxpk= 0, iat= 675,1541, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 45 GLY HN 46 ASP HN 5.80 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= 675, 682, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 46 ASP HN 104 ALA QB 5.24 (#peak 3484)
&rst
ixpk= 3484, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1533,1534,1535,
&end
#
# 46 ASP HN 46 ASP HB2 3.94 (#peak 1853)
&rst
ixpk= 1853, nxpk= 0, iat= 682, 686, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 46 ASP HN 47 ILE HN 6.15 (#peak 1710)
&rst
ixpk= 1710, nxpk= 0, iat= 682, 694, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 46 ASP HN 48 ILE QD1 5.97 (#peak 494)
&rst
ixpk= 494, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 726, 727, 728,
&end
#
# 46 ASP HA 47 ILE HN 2.86 (#peak 696)
&rst
ixpk= 696, nxpk= 0, iat= 684, 694, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 46 ASP HA 48 ILE QD1 5.08 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 726, 727, 728,
&end
#
# 46 ASP HB2 47 ILE HN 4.57 (#peak 1856)
&rst
ixpk= 1856, nxpk= 0, iat= 686, 694, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 46 ASP HB2 48 ILE QD1 3.60 (#peak 1849)
&rst
ixpk= 1849, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 726, 727, 728,
&end
#
# 46 ASP HB2 48 ILE QG1 4.84 (#peak 1851)
&rst
ixpk= 1851, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 723, 724,
&end
#
# 46 ASP HB3 47 ILE HN 3.85 (#peak 3581)
&rst
ixpk= 3581, nxpk= 0, iat= 687, 694, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 ASP HB3 48 ILE QD1 3.65 (#peak 3575)
&rst
ixpk= 3575, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 726, 727, 728,
&end
#
# 46 ASP HB3 48 ILE QG1 4.85 (#peak 3577)
&rst
ixpk= 3577, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 723, 724,
&end
#
# 47 ILE HN 47 ILE HB 3.90 (#peak 1120)
&rst
ixpk= 1120, nxpk= 0, iat= 694, 698, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 47 ILE HN 47 ILE HG12 4.52 (#peak 2916)
&rst
ixpk= 2916, nxpk= 0, iat= 694, 704, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 47 ILE HN 47 ILE HG13 4.57 (#peak 2274)
&rst
ixpk= 2274, nxpk= 0, iat= 694, 705, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 47 ILE HN 47 ILE QD1 4.37 (#peak 2351)
&rst
ixpk= 2351, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 707, 708, 709,
&end
#
# 47 ILE HN 47 ILE QG2 4.39 (#peak 714)
&rst
ixpk= 714, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 700, 701, 702,
&end
#
# 47 ILE HA 103 CYS HA 4.37 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= 696,1520, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 47 ILE HA 104 ALA HN 4.64 (#peak 230)
&rst
ixpk= 230, nxpk= 0, iat= 696,1529, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 47 ILE HA 104 ALA QB 4.64 (#peak 3879)
&rst
ixpk= 3879, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1533,1534,1535,
&end
#
# 47 ILE HA 47 ILE HG12 4.03 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 696, 704, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ILE HA 47 ILE HG13 3.72 (#peak 2266)
&rst
ixpk= 2266, nxpk= 0, iat= 696, 705, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 47 ILE HA 47 ILE QD1 4.69 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 707, 708, 709,
&end
#
# 47 ILE HA 47 ILE QG2 2.97 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 700, 701, 702,
&end
#
# 47 ILE HA 48 ILE HN 3.12 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 696, 713, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 47 ILE HA 48 ILE QG1 4.01 (#peak 911)
&rst
ixpk= 911, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 723, 724,
&end
#
# 47 ILE HB 47 ILE QD1 3.61 (#peak 1118)
&rst
ixpk= 1118, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 707, 708, 709,
&end
#
# 47 ILE HB 48 ILE HN 5.16 (#peak 1116)
&rst
ixpk= 1116, nxpk= 0, iat= 698, 713, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 47 ILE HG12 103 CYS HA 5.46 (#peak 2908)
&rst
ixpk= 2908, nxpk= 0, iat= 704,1520, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 47 ILE HG12 103 CYS HB2 6.15 (#peak 4044)
&rst
ixpk= 4044, nxpk= 0, iat= 704,1522, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 47 ILE HG12 103 CYS HB3 5.04 (#peak 4043)
&rst
ixpk= 4043, nxpk= 0, iat= 704,1523, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 47 ILE HG12 48 ILE HN 5.45 (#peak 2912)
&rst
ixpk= 2912, nxpk= 0, iat= 704, 713, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 47 ILE HG13 103 CYS HB2 6.15 (#peak 1738)
&rst
ixpk= 1738, nxpk= 0, iat= 705,1522, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 47 ILE HG13 103 CYS HB3 5.67 (#peak 4045)
&rst
ixpk= 4045, nxpk= 0, iat= 705,1523, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 47 ILE QD1 103 CYS HB2 4.61 (#peak 2347)
&rst
ixpk= 2347, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 707, 708, 709,
&end
#
# 47 ILE QD1 103 CYS HB3 4.43 (#peak 2343)
&rst
ixpk= 2343, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 707, 708, 709,
&end
#
# 47 ILE QG2 103 CYS HA 4.26 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 700, 701, 702,
&end
#
# 47 ILE QG2 47 ILE HG12 3.27 (#peak 713)
&rst
ixpk= 713, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 700, 701, 702,
&end
#
# 47 ILE QG2 47 ILE HG13 3.31 (#peak 2268)
&rst
ixpk= 2268, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 700, 701, 702,
&end
#
# 47 ILE QG2 47 ILE QD1 2.40 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 700, 701, 702,
igr2= 707, 708, 709,
&end
#
# 47 ILE QG2 48 ILE HN 3.32 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 700, 701, 702,
&end
#
# 47 ILE QG2 48 ILE HA 4.02 (#peak 210)
&rst
ixpk= 210, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 700, 701, 702,
&end
#
# 48 ILE HN 102 ILE HN 6.15 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat= 713,1499, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 ILE HN 103 CYS HA 4.60 (#peak 544)
&rst
ixpk= 544, nxpk= 0, iat= 713,1520, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 ILE HN 48 ILE HB 3.71 (#peak 3091)
&rst
ixpk= 3091, nxpk= 0, iat= 713, 717, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 48 ILE HN 48 ILE QD1 3.90 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 726, 727, 728,
&end
#
# 48 ILE HN 48 ILE QG1 3.53 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 723, 724,
&end
#
# 48 ILE HN 48 ILE QG2 6.15 (#peak 2688)
&rst
ixpk= 2688, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 719, 720, 721,
&end
#
# 48 ILE HN 49 LYS HN 6.15 (#peak 1062)
&rst
ixpk= 1062, nxpk= 0, iat= 713, 732, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 ILE HA 48 ILE QD1 2.94 (#peak 488)
&rst
ixpk= 488, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 726, 727, 728,
&end
#
# 48 ILE HA 48 ILE QG1 3.42 (#peak 211)
&rst
ixpk= 211, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 723, 724,
&end
#
# 48 ILE HA 48 ILE QG2 2.91 (#peak 2684)
&rst
ixpk= 2684, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 719, 720, 721,
&end
#
# 48 ILE HA 49 LYS HN 3.12 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= 715, 732, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 48 ILE HB 48 ILE QD1 3.76 (#peak 3089)
&rst
ixpk= 3089, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 726, 727, 728,
&end
#
# 48 ILE HB 48 ILE QG1 2.82 (#peak 918)
&rst
ixpk= 918, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 723, 724,
&end
#
# 48 ILE HB 49 LYS HN 6.15 (#peak 1067)
&rst
ixpk= 1067, nxpk= 0, iat= 717, 732, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 48 ILE QD1 104 ALA HN 6.15 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 726, 727, 728,
&end
#
# 48 ILE QD1 49 LYS HN 4.71 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 726, 727, 728,
&end
#
# 48 ILE QG1 104 ALA HN 6.15 (#peak 1727)
&rst
ixpk= 1727, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 723, 724,
&end
#
# 48 ILE QG1 49 LYS HN 4.93 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 723, 724,
&end
#
# 48 ILE QG2 104 ALA HN 6.15 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 719, 720, 721,
&end
#
# 48 ILE QG2 48 ILE QD1 2.40 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 719, 720, 721,
igr2= 726, 727, 728,
&end
#
# 48 ILE QG2 48 ILE QG1 2.40 (#peak 2686)
&rst
ixpk= 2686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 719, 720, 721,
igr2= 723, 724,
&end
#
# 48 ILE QG2 49 LYS HN 3.63 (#peak 2692)
&rst
ixpk= 2692, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 719, 720, 721,
&end
#
# 49 LYS HN 49 LYS HE3 6.15 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat= 732, 746, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 LYS HN 49 LYS QB 4.09 (#peak 2188)
&rst
ixpk= 2188, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 736, 737,
&end
#
# 49 LYS HN 49 LYS QD 5.45 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 742, 743,
&end
#
# 49 LYS HN 49 LYS QG 4.79 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 739, 740,
&end
#
# 49 LYS HN 50 VAL HN 6.15 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat= 732, 754, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 LYS HA 101 LEU HA 3.95 (#peak 960)
&rst
ixpk= 960, nxpk= 0, iat= 734,1482, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 49 LYS HA 101 LEU HG 6.15 (#peak 3326)
&rst
ixpk= 3326, nxpk= 0, iat= 734,1487, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 LYS HA 101 LEU QD2 6.15 (#peak 3867)
&rst
ixpk= 3867, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1493,1494,1495,
&end
#
# 49 LYS HA 102 ILE HN 4.52 (#peak 3334)
&rst
ixpk= 3334, nxpk= 0, iat= 734,1499, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 49 LYS HA 49 LYS HE2 4.92 (#peak 1597)
&rst
ixpk= 1597, nxpk= 0, iat= 734, 745, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 49 LYS HA 49 LYS HE3 4.41 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= 734, 746, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 49 LYS HA 49 LYS QD 4.01 (#peak 2748)
&rst
ixpk= 2748, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 742, 743,
&end
#
# 49 LYS HA 49 LYS QG 3.82 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 739, 740,
&end
#
# 49 LYS HA 50 VAL HN 3.19 (#peak 3331)
&rst
ixpk= 3331, nxpk= 0, iat= 734, 754, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 49 LYS HE2 101 LEU QD1 3.37 (#peak 2066)
&rst
ixpk= 2066, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1489,1490,1491,
&end
#
# 49 LYS HE2 50 VAL HN 6.15 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= 745, 754, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 LYS HE3 101 LEU HG 4.84 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 746,1487, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 49 LYS HE3 101 LEU QD1 3.36 (#peak 2062)
&rst
ixpk= 2062, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1489,1490,1491,
&end
#
# 49 LYS HE3 101 LEU QD2 3.42 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1493,1494,1495,
&end
#
# 49 LYS HE3 50 VAL HN 6.15 (#peak 931)
&rst
ixpk= 931, nxpk= 0, iat= 746, 754, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 49 LYS QB 101 LEU QD1 5.43 (#peak 2184)
&rst
ixpk= 2184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 736, 737,
igr2=1489,1490,1491,
&end
#
# 49 LYS QB 101 LEU QD2 6.15 (#peak 2190)
&rst
ixpk= 2190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 736, 737,
igr2=1493,1494,1495,
&end
#
# 49 LYS QB 49 LYS HE2 4.69 (#peak 1593)
&rst
ixpk= 1593, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 736, 737,
&end
#
# 49 LYS QB 49 LYS HE3 4.29 (#peak 38)
&rst
ixpk= 38, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 736, 737,
&end
#
# 49 LYS QB 49 LYS QD 3.07 (#peak 2187)
&rst
ixpk= 2187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 736, 737,
igr2= 742, 743,
&end
#
# 49 LYS QB 49 LYS QG 2.40 (#peak 552)
&rst
ixpk= 552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 736, 737,
igr2= 739, 740,
&end
#
# 49 LYS QB 50 VAL HN 4.87 (#peak 939)
&rst
ixpk= 939, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 736, 737,
&end
#
# 49 LYS QD 101 LEU QD1 4.66 (#peak 2742)
&rst
ixpk= 2742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 742, 743,
igr2=1489,1490,1491,
&end
#
# 49 LYS QD 101 LEU QD2 4.66 (#peak 2749)
&rst
ixpk= 2749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 742, 743,
igr2=1493,1494,1495,
&end
#
# 49 LYS QD 50 VAL HN 5.41 (#peak 2744)
&rst
ixpk= 2744, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 742, 743,
&end
#
# 49 LYS QG 101 LEU QD1 4.96 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 739, 740,
igr2=1489,1490,1491,
&end
#
# 49 LYS QG 101 LEU QD2 5.70 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 739, 740,
igr2=1493,1494,1495,
&end
#
# 49 LYS QG 49 LYS HE2 3.62 (#peak 1590)
&rst
ixpk= 1590, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 739, 740,
&end
#
# 49 LYS QG 49 LYS HE3 4.18 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 739, 740,
&end
#
# 49 LYS QG 49 LYS QD 2.40 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 739, 740,
igr2= 742, 743,
&end
#
# 49 LYS QG 50 VAL HN 4.62 (#peak 553)
&rst
ixpk= 553, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 739, 740,
&end
#
# 50 VAL HN 100 LEU HN 6.15 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= 754,1461, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 50 VAL HN 100 LEU O 2.4
&rst
ixpk= 935, nxpk= 0, iat= 754,1478, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 50 VAL HN 101 LEU HA 6.15 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat= 754,1482, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 50 VAL HN 50 VAL HB 3.73 (#peak 2590)
&rst
ixpk= 2590, nxpk= 0, iat= 754, 758, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 50 VAL HN 50 VAL QG1 4.19 (#peak 417)
&rst
ixpk= 417, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 760, 761, 762,
&end
#
# 50 VAL HN 50 VAL QG2 4.13 (#peak 2012)
&rst
ixpk= 2012, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 764, 765, 766,
&end
#
# 50 VAL HN 51 VAL HN 6.15 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= 754, 770, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 50 VAL HA 50 VAL QG1 3.42 (#peak 2327)
&rst
ixpk= 2327, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 760, 761, 762,
&end
#
# 50 VAL HA 50 VAL QG2 2.76 (#peak 2013)
&rst
ixpk= 2013, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 764, 765, 766,
&end
#
# 50 VAL HA 51 VAL HN 3.49 (#peak 2328)
&rst
ixpk= 2328, nxpk= 0, iat= 756, 770, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 50 VAL HB 102 ILE HN 5.03 (#peak 2593)
&rst
ixpk= 2593, nxpk= 0, iat= 758,1499, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 50 VAL HB 51 VAL HN 4.50 (#peak 2588)
&rst
ixpk= 2588, nxpk= 0, iat= 758, 770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 VAL N 100 LEU O 3.3
&rst
ixpk= 2588, nxpk= 0, iat= 753,1478, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 50 VAL QG1 100 LEU QD1 3.80 (#peak 3468)
&rst
ixpk= 3468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 760, 761, 762,
igr2=1470,1471,1472,
&end
#
# 50 VAL QG1 51 VAL HN 4.20 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 760, 761, 762,
&end
#
# 50 VAL QG1 54 GLY HN 6.15 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 760, 761, 762,
&end
#
# 50 VAL QG1 54 GLY HA3 6.15 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 760, 761, 762,
&end
#
# 50 VAL QG1 95 ASN HD21 4.44 (#peak 424)
&rst
ixpk= 424, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 760, 761, 762,
&end
#
# 50 VAL QG1 95 ASN HD22 5.30 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 760, 761, 762,
&end
#
# 50 VAL QG2 100 LEU HN 6.15 (#peak 1880)
&rst
ixpk= 1880, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 100 LEU QD1 4.59 (#peak 3474)
&rst
ixpk= 3474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 764, 765, 766,
igr2=1470,1471,1472,
&end
#
# 50 VAL QG2 102 ILE QD1 3.96 (#peak 2011)
&rst
ixpk= 2011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 764, 765, 766,
igr2=1512,1513,1514,
&end
#
# 50 VAL QG2 51 VAL HN 3.77 (#peak 2008)
&rst
ixpk= 2008, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 54 GLY HN 4.22 (#peak 2019)
&rst
ixpk= 2019, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 54 GLY HA2 6.15 (#peak 2433)
&rst
ixpk= 2433, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 54 GLY HA3 6.15 (#peak 2006)
&rst
ixpk= 2006, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 55 LYS HN 4.53 (#peak 2009)
&rst
ixpk= 2009, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 95 ASN HN 4.89 (#peak 2007)
&rst
ixpk= 2007, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 95 ASN HB2 3.50 (#peak 3559)
&rst
ixpk= 3559, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 95 ASN HB3 3.60 (#peak 2621)
&rst
ixpk= 2621, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 95 ASN HD21 4.43 (#peak 2021)
&rst
ixpk= 2021, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 764, 765, 766,
&end
#
# 50 VAL QG2 95 ASN HD22 5.17 (#peak 2004)
&rst
ixpk= 2004, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 764, 765, 766,
&end
#
# 51 VAL HN 51 VAL HB 4.20 (#peak 3237)
&rst
ixpk= 3237, nxpk= 0, iat= 770, 774, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 VAL HN 51 VAL QG1 3.04 (#peak 1074)
&rst
ixpk= 1074, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 776, 777, 778,
&end
#
# 51 VAL HN 51 VAL QG2 4.03 (#peak 2859)
&rst
ixpk= 2859, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 780, 781, 782,
&end
#
# 51 VAL HA 100 LEU HN 5.71 (#peak 3022)
&rst
ixpk= 3022, nxpk= 0, iat= 772,1461, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 51 VAL HA 51 VAL QG1 2.78 (#peak 1076)
&rst
ixpk= 1076, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 776, 777, 778,
&end
#
# 51 VAL HA 51 VAL QG2 3.43 (#peak 3025)
&rst
ixpk= 3025, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 780, 781, 782,
&end
#
# 51 VAL HA 99 SER HA 4.71 (#peak 3020)
&rst
ixpk= 3020, nxpk= 0, iat= 772,1452, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 51 VAL QG1 54 GLY HN 6.15 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 776, 777, 778,
&end
#
# 51 VAL QG2 53 GLY HA2 5.49 (#peak 2969)
&rst
ixpk= 2969, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 780, 781, 782,
&end
#
# 51 VAL QG2 53 GLY HA3 4.58 (#peak 1157)
&rst
ixpk= 1157, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 780, 781, 782,
&end
#
# 51 VAL QG2 54 GLY HN 4.86 (#peak 2864)
&rst
ixpk= 2864, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 780, 781, 782,
&end
#
# 52 PRO HA 53 GLY HN 3.10 (#peak 3438)
&rst
ixpk= 3438, nxpk= 0, iat= 796, 800, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 52 PRO HA 95 ASN HD21 4.59 (#peak 3440)
&rst
ixpk= 3440, nxpk= 0, iat= 796,1407, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 52 PRO HA 95 ASN HD22 4.70 (#peak 3435)
&rst
ixpk= 3435, nxpk= 0, iat= 796,1408, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 PRO HA 97 ASN HA 6.03 (#peak 4233)
&rst
ixpk= 4233, nxpk= 0, iat= 796,1431, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 52 PRO QB 97 ASN HA 4.64 (#peak 4234)
&rst
ixpk= 4234, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 793, 794,
&end
#
# 52 PRO QG 97 ASN HA 5.95 (#peak 4215)
&rst
ixpk= 4215, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 790, 791,
&end
#
# 53 GLY HN 54 GLY HN 4.26 (#peak 1233)
&rst
ixpk= 1233, nxpk= 0, iat= 800, 807, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 53 GLY HN 94 ILE QG2 6.15 (#peak 1224)
&rst
ixpk= 1224, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1385,1386,1387,
&end
#
# 53 GLY HN 95 ASN HB3 4.72 (#peak 2625)
&rst
ixpk= 2625, nxpk= 0, iat= 800,1403, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 53 GLY HN 95 ASN HD21 6.15 (#peak 1516)
&rst
ixpk= 1516, nxpk= 0, iat= 800,1407, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLY HN 95 ASN HD22 6.15 (#peak 1225)
&rst
ixpk= 1225, nxpk= 0, iat= 800,1408, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLY HN 96 GLN HA 4.97 (#peak 3379)
&rst
ixpk= 3379, nxpk= 0, iat= 800,1414, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 53 GLY HA2 94 ILE QG2 4.06 (#peak 2966)
&rst
ixpk= 2966, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1385,1386,1387,
&end
#
# 53 GLY HA2 96 GLN HA 4.10 (#peak 3377)
&rst
ixpk= 3377, nxpk= 0, iat= 802,1414, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 53 GLY HA3 94 ILE QG2 5.60 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1385,1386,1387,
&end
#
# 53 GLY HA3 95 ASN HN 6.15 (#peak 402)
&rst
ixpk= 402, nxpk= 0, iat= 803,1398, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLY HA3 96 GLN HA 5.34 (#peak 3372)
&rst
ixpk= 3372, nxpk= 0, iat= 803,1414, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 54 GLY HN 95 ASN HN 6.15 (#peak 1799)
&rst
ixpk= 1799, nxpk= 0, iat= 807,1398, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 54 GLY HN 95 ASN HB2 6.01 (#peak 3565)
&rst
ixpk= 3565, nxpk= 0, iat= 807,1402, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 54 GLY HN 95 ASN HB3 4.64 (#peak 2626)
&rst
ixpk= 2626, nxpk= 0, iat= 807,1403, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 54 GLY HN 95 ASN HD21 6.15 (#peak 1518)
&rst
ixpk= 1518, nxpk= 0, iat= 807,1407, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 54 GLY HN 95 ASN HD22 6.15 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat= 807,1408, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 54 GLY HA3 55 LYS HN 3.40 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat= 810, 814, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 55 LYS HN 55 LYS HG2 4.54 (#peak 3051)
&rst
ixpk= 3051, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 55 LYS HN 55 LYS HG3 4.18 (#peak 854)
&rst
ixpk= 854, nxpk= 0, iat= 814, 822, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 55 LYS HN 55 LYS QB 3.80 (#peak 1709)
&rst
ixpk= 1709, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 818, 819,
&end
#
# 55 LYS HN 55 LYS QD 5.51 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 824, 825,
&end
#
# 55 LYS HN 55 LYS QE 6.15 (#peak 733)
&rst
ixpk= 733, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 827, 828,
&end
#
# 55 LYS HN 56 PHE HN 6.15 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= 814, 836, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 55 LYS HN 94 ILE HA 5.36 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= 814,1381, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 55 LYS HN 94 ILE QG2 4.80 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1385,1386,1387,
&end
#
# 55 LYS HA 55 LYS HG2 3.95 (#peak 3052)
&rst
ixpk= 3052, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 55 LYS HA 55 LYS HG3 3.53 (#peak 1758)
&rst
ixpk= 1758, nxpk= 0, iat= 816, 822, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 55 LYS HA 55 LYS QD 4.82 (#peak 1761)
&rst
ixpk= 1761, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 824, 825,
&end
#
# 55 LYS HA 55 LYS QE 5.19 (#peak 1768)
&rst
ixpk= 1768, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 827, 828,
&end
#
# 55 LYS HA 56 PHE HN 3.36 (#peak 1767)
&rst
ixpk= 1767, nxpk= 0, iat= 816, 836, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 55 LYS HA 56 PHE QD 5.40 (#peak 1760)
&rst
ixpk= 1760, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 844, 852,
&end
#
# 55 LYS HA 94 ILE HA 3.52 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= 816,1381, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 LYS HA 94 ILE QG1 5.48 (#peak 2415)
&rst
ixpk= 2415, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1389,1390,
&end
#
# 55 LYS HA 94 ILE QG2 3.72 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1385,1386,1387,
&end
#
# 55 LYS HG2 55 LYS QE 3.08 (#peak 3456)
&rst
ixpk= 3456, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 827, 828,
&end
#
# 55 LYS HG2 56 PHE HN 6.15 (#peak 3054)
&rst
ixpk= 3054, nxpk= 0, iat= 821, 836, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 55 LYS HG2 94 ILE QG2 3.40 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1385,1386,1387,
&end
#
# 55 LYS HG3 55 LYS QE 3.18 (#peak 3451)
&rst
ixpk= 3451, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 827, 828,
&end
#
# 55 LYS HG3 56 PHE HN 5.05 (#peak 857)
&rst
ixpk= 857, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 55 LYS HG3 94 ILE QG2 3.61 (#peak 850)
&rst
ixpk= 850, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1385,1386,1387,
&end
#
# 55 LYS QB 55 LYS HG2 2.89 (#peak 1711)
&rst
ixpk= 1711, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 818, 819,
&end
#
# 55 LYS QB 55 LYS QD 2.40 (#peak 1707)
&rst
ixpk= 1707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 818, 819,
igr2= 824, 825,
&end
#
# 55 LYS QB 55 LYS QE 3.69 (#peak 3453)
&rst
ixpk= 3453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 818, 819,
igr2= 827, 828,
&end
#
# 55 LYS QB 56 PHE HN 5.84 (#peak 1419)
&rst
ixpk= 1419, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 818, 819,
&end
#
# 55 LYS QB 94 ILE HA 4.19 (#peak 934)
&rst
ixpk= 934, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 818, 819,
&end
#
# 55 LYS QB 94 ILE QG2 4.14 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 818, 819,
igr2=1385,1386,1387,
&end
#
# 55 LYS QD 94 ILE QG2 4.10 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 824, 825,
igr2=1385,1386,1387,
&end
#
# 55 LYS QE 94 ILE QG2 3.11 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 827, 828,
igr2=1385,1386,1387,
&end
#
# 56 PHE HN 56 PHE QE 6.15 (#peak 1423)
&rst
ixpk= 1423, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 846, 850,
&end
#
# 56 PHE HN 92 GLY HN 6.15 (#peak 1810)
&rst
ixpk= 1810, nxpk= 0, iat= 836,1361, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 PHE HN 93 SER HN 6.15 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat= 836,1368, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 PHE HA 56 PHE QD 3.82 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 844, 852,
&end
#
# 56 PHE HA 56 PHE QE 5.61 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 846, 850,
&end
#
# 56 PHE HA 57 PRO HD2 3.60 (#peak 1184)
&rst
ixpk= 1184, nxpk= 0, iat= 838, 857, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 56 PHE HA 57 PRO HD3 3.31 (#peak 2572)
&rst
ixpk= 2572, nxpk= 0, iat= 838, 858, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 56 PHE HA 91 ALA HA 5.77 (#peak 4359)
&rst
ixpk= 4359, nxpk= 0, iat= 838,1353, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 56 PHE HA 92 GLY HN 6.15 (#peak 1809)
&rst
ixpk= 1809, nxpk= 0, iat= 838,1361, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 PHE HB2 91 ALA HA 3.99 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat= 840,1353, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 56 PHE HB2 91 ALA QB 5.11 (#peak 4069)
&rst
ixpk= 4069, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1355,1356,1357,
&end
#
# 56 PHE HB2 93 SER QB 5.32 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1372,1373,
&end
#
# 56 PHE HB3 57 PRO HD2 4.31 (#peak 3000)
&rst
ixpk= 3000, nxpk= 0, iat= 841, 857, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 56 PHE HB3 57 PRO HD3 5.12 (#peak 4101)
&rst
ixpk= 4101, nxpk= 0, iat= 841, 858, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 56 PHE HB3 58 VAL HN 4.09 (#peak 3009)
&rst
ixpk= 3009, nxpk= 0, iat= 841, 870, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 56 PHE HB3 91 ALA HA 4.35 (#peak 3005)
&rst
ixpk= 3005, nxpk= 0, iat= 841,1353, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 56 PHE HB3 91 ALA QB 5.13 (#peak 4070)
&rst
ixpk= 4070, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1355,1356,1357,
&end
#
# 56 PHE HB3 93 SER HN 6.15 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= 841,1368, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 PHE QD 102 ILE QG2 5.08 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 844, 852,
igr2=1505,1506,1507,
&end
#
# 56 PHE QD 69 VAL QG1 4.53 (#peak 1016)
&rst
ixpk= 1016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 844, 852,
igr2=1037,1038,1039,
&end
#
# 56 PHE QD 89 VAL QG1 5.04 (#peak 4382)
&rst
ixpk= 4382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 844, 852,
igr2=1322,1323,1324,
&end
#
# 56 PHE QD 89 VAL QG2 4.00 (#peak 4384)
&rst
ixpk= 4384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 844, 852,
igr2=1326,1327,1328,
&end
#
# 56 PHE QD 92 GLY HN 6.15 (#peak 1002)
&rst
ixpk= 1002, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 844, 852,
&end
#
# 56 PHE QD 93 SER HN 6.13 (#peak 1011)
&rst
ixpk= 1011, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 844, 852,
&end
#
# 56 PHE QD 95 ASN HN 6.15 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 844, 852,
&end
#
# 56 PHE QD 95 ASN HB2 5.78 (#peak 3558)
&rst
ixpk= 3558, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 844, 852,
&end
#
# 56 PHE QE 100 LEU QD1 3.94 (#peak 4390)
&rst
ixpk= 4390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 846, 850,
igr2=1470,1471,1472,
&end
#
# 56 PHE QE 102 ILE QG1 4.70 (#peak 3818)
&rst
ixpk= 3818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 846, 850,
igr2=1509,1510,
&end
#
# 56 PHE QE 102 ILE QG2 3.87 (#peak 4377)
&rst
ixpk= 4377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 846, 850,
igr2=1505,1506,1507,
&end
#
# 56 PHE QE 69 VAL QG1 3.61 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 846, 850,
igr2=1037,1038,1039,
&end
#
# 56 PHE QE 69 VAL QG2 4.16 (#peak 2814)
&rst
ixpk= 2814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 846, 850,
igr2=1041,1042,1043,
&end
#
# 56 PHE QE 89 VAL QG1 3.86 (#peak 4381)
&rst
ixpk= 4381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 846, 850,
igr2=1322,1323,1324,
&end
#
# 56 PHE QE 89 VAL QG2 4.18 (#peak 4383)
&rst
ixpk= 4383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 846, 850,
igr2=1326,1327,1328,
&end
#
# 56 PHE QE 95 ASN HN 6.15 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 846, 850,
&end
#
# 56 PHE QE 95 ASN HB2 4.72 (#peak 3563)
&rst
ixpk= 3563, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 846, 850,
&end
#
# 56 PHE QE 95 ASN HB3 4.71 (#peak 2623)
&rst
ixpk= 2623, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 846, 850,
&end
#
# 57 PRO HD3 58 VAL HN 4.52 (#peak 2577)
&rst
ixpk= 2577, nxpk= 0, iat= 858, 870, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 57 PRO HD3 58 VAL QG2 5.96 (#peak 3884)
&rst
ixpk= 3884, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 880, 881, 882,
&end
#
# 57 PRO HG2 58 VAL HN 3.77 (#peak 3449)
&rst
ixpk= 3449, nxpk= 0, iat= 860, 870, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 58 VAL HN 58 VAL QG1 6.15 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 876, 877, 878,
&end
#
# 58 VAL HN 58 VAL QG2 3.09 (#peak 1501)
&rst
ixpk= 1501, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 880, 881, 882,
&end
#
# 58 VAL HN 59 ASP HN 6.15 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= 870, 886, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 58 VAL HN 91 ALA QB 3.96 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1355,1356,1357,
&end
#
# 58 VAL HA 58 VAL QG1 3.66 (#peak 4050)
&rst
ixpk= 4050, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 876, 877, 878,
&end
#
# 58 VAL HA 58 VAL QG2 3.22 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 880, 881, 882,
&end
#
# 58 VAL HA 59 ASP HN 3.21 (#peak 2596)
&rst
ixpk= 2596, nxpk= 0, iat= 872, 886, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 58 VAL HA 91 ALA QB 2.92 (#peak 2594)
&rst
ixpk= 2594, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1355,1356,1357,
&end
#
# 58 VAL HB 104 ALA QB 4.78 (#peak 3848)
&rst
ixpk= 3848, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1533,1534,1535,
&end
#
# 58 VAL HB 107 VAL HA 5.52 (#peak 4248)
&rst
ixpk= 4248, nxpk= 0, iat= 874,1572, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 58 VAL HB 59 ASP HN 4.36 (#peak 3846)
&rst
ixpk= 3846, nxpk= 0, iat= 874, 886, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 58 VAL QG1 104 ALA QB 4.68 (#peak 3855)
&rst
ixpk= 3855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 876, 877, 878,
igr2=1533,1534,1535,
&end
#
# 58 VAL QG1 107 VAL HA 3.98 (#peak 4249)
&rst
ixpk= 4249, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 876, 877, 878,
&end
#
# 58 VAL QG1 107 VAL QG1 5.55 (#peak 4266)
&rst
ixpk= 4266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 876, 877, 878,
igr2=1576,1577,1578,
&end
#
# 58 VAL QG1 108 GLY HN 4.91 (#peak 1733)
&rst
ixpk= 1733, nxpk= 0, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 876, 877, 878,
&end
#
# 58 VAL QG1 59 ASP HN 6.15 (#peak 1765)
&rst
ixpk= 1765, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 876, 877, 878,
&end
#
# 58 VAL QG1 91 ALA QB 4.18 (#peak 4062)
&rst
ixpk= 4062, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 876, 877, 878,
igr2=1355,1356,1357,
&end
#
# 58 VAL QG2 104 ALA HN 5.53 (#peak 3889)
&rst
ixpk= 3889, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 880, 881, 882,
&end
#
# 58 VAL QG2 104 ALA HA 4.74 (#peak 3881)
&rst
ixpk= 3881, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 880, 881, 882,
&end
#
# 58 VAL QG2 104 ALA QB 3.99 (#peak 3849)
&rst
ixpk= 3849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 880, 881, 882,
igr2=1533,1534,1535,
&end
#
# 58 VAL QG2 105 THR HN 5.02 (#peak 3890)
&rst
ixpk= 3890, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 880, 881, 882,
&end
#
# 58 VAL QG2 59 ASP HN 4.04 (#peak 1499)
&rst
ixpk= 1499, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 880, 881, 882,
&end
#
# 58 VAL QG2 91 ALA QB 4.30 (#peak 4061)
&rst
ixpk= 4061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 880, 881, 882,
igr2=1355,1356,1357,
&end
#
# 59 ASP HN 105 THR HN 6.15 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= 886,1539, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 ASP HN 106 HIS HN 6.15 (#peak 1761)
&rst
ixpk= 1761, nxpk= 0, iat= 886,1553, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 ASP HN 107 VAL HA 6.15 (#peak 1867)
&rst
ixpk= 1867, nxpk= 0, iat= 886,1572, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 ASP HN 111 THR QG2 6.15 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1621,1622,1623,
&end
#
# 59 ASP HN 60 GLY HN 6.15 (#peak 679)
&rst
ixpk= 679, nxpk= 0, iat= 886, 898, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 ASP HA 60 GLY HN 2.40 (#peak 3250)
&rst
ixpk= 3250, nxpk= 0, iat= 888, 898, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 59 ASP HA 90 ILE HA 3.44 (#peak 747)
&rst
ixpk= 747, nxpk= 0, iat= 888,1334, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 59 ASP HA 90 ILE HB 6.13 (#peak 4060)
&rst
ixpk= 4060, nxpk= 0, iat= 888,1336, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 59 ASP HA 90 ILE QG1 6.01 (#peak 4224)
&rst
ixpk= 4224, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1342,1343,
&end
#
# 59 ASP HA 90 ILE QG2 6.15 (#peak 4225)
&rst
ixpk= 4225, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1338,1339,1340,
&end
#
# 59 ASP HA 91 ALA HN 3.89 (#peak 3252)
&rst
ixpk= 3252, nxpk= 0, iat= 888,1351, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 59 ASP HB2 60 GLY HN 5.61 (#peak 1088)
&rst
ixpk= 1088, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 59 ASP HB2 90 ILE QD1 6.15 (#peak 4033)
&rst
ixpk= 4033, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1345,1346,1347,
&end
#
# 59 ASP HB2 90 ILE QG1 5.82 (#peak 4031)
&rst
ixpk= 4031, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1342,1343,
&end
#
# 59 ASP HB2 90 ILE QG2 6.15 (#peak 4032)
&rst
ixpk= 4032, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1338,1339,1340,
&end
#
# 59 ASP HB3 60 GLY HN 4.67 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat= 891, 898, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 59 ASP HB3 90 ILE QD1 5.86 (#peak 4034)
&rst
ixpk= 4034, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1345,1346,1347,
&end
#
# 59 ASP HB3 90 ILE QG1 6.15 (#peak 4036)
&rst
ixpk= 4036, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1342,1343,
&end
#
# 59 ASP HB3 90 ILE QG2 6.15 (#peak 4035)
&rst
ixpk= 4035, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1338,1339,1340,
&end
#
# 60 GLY HN 89 VAL HN 6.15 (#peak 1463)
&rst
ixpk= 1463, nxpk= 0, iat= 898,1316, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 60 GLY HN 89 VAL HB 6.15 (#peak 146)
&rst
ixpk= 146, nxpk= 0, iat= 898,1320, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 60 GLY HN 89 VAL QG1 6.15 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1322,1323,1324,
&end
#
# 60 GLY HN 89 VAL QG2 4.01 (#peak 2923)
&rst
ixpk= 2923, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1326,1327,1328,
&end
#
# 60 GLY HN 90 ILE HA 5.25 (#peak 739)
&rst
ixpk= 739, nxpk= 0, iat= 898,1334, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 60 GLY HN 90 ILE QD1 6.15 (#peak 1769)
&rst
ixpk= 1769, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1345,1346,1347,
&end
#
# 60 GLY HA2 104 ALA HA 5.55 (#peak 3221)
&rst
ixpk= 3221, nxpk= 0, iat= 900,1531, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 60 GLY HA2 104 ALA QB 5.96 (#peak 4048)
&rst
ixpk= 4048, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1533,1534,1535,
&end
#
# 60 GLY HA2 105 THR HN 4.90 (#peak 1993)
&rst
ixpk= 1993, nxpk= 0, iat= 900,1539, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 60 GLY HA2 106 HIS HN 6.15 (#peak 1801)
&rst
ixpk= 1801, nxpk= 0, iat= 900,1553, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 60 GLY HA3 104 ALA QB 5.58 (#peak 4186)
&rst
ixpk= 4186, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1533,1534,1535,
&end
#
# 60 GLY HA3 105 THR HN 4.96 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 901,1539, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 60 GLY HA3 61 ARG HN 3.49 (#peak 268)
&rst
ixpk= 268, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 61 ARG HN 103 CYS HN 6.15 (#peak 1274)
&rst
ixpk= 1274, nxpk= 0, iat= 905,1518, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 61 ARG HN 103 CYS HB2 6.15 (#peak 3866)
&rst
ixpk= 3866, nxpk= 0, iat= 905,1522, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 61 ARG HN 104 ALA HA 5.99 (#peak 3219)
&rst
ixpk= 3219, nxpk= 0, iat= 905,1531, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 61 ARG HN 105 THR QG2 6.15 (#peak 1729)
&rst
ixpk= 1729, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1545,1546,1547,
&end
#
# 61 ARG HN 61 ARG HG2 6.12 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= 905, 912, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 61 ARG HN 61 ARG HG3 4.82 (#peak 3703)
&rst
ixpk= 3703, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 61 ARG HN 61 ARG QB 3.35 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 909, 910,
&end
#
# 61 ARG HN 61 ARG QD 6.15 (#peak 3064)
&rst
ixpk= 3064, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 915, 916,
&end
#
# 61 ARG HA 61 ARG HG2 3.90 (#peak 2875)
&rst
ixpk= 2875, nxpk= 0, iat= 907, 912, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 61 ARG HA 61 ARG HG3 3.64 (#peak 2883)
&rst
ixpk= 2883, nxpk= 0, iat= 907, 913, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 61 ARG HA 61 ARG QB 3.01 (#peak 2877)
&rst
ixpk= 2877, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 909, 910,
&end
#
# 61 ARG HA 61 ARG QD 4.20 (#peak 3069)
&rst
ixpk= 3069, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 915, 916,
&end
#
# 61 ARG HA 62 VAL HN 3.47 (#peak 2876)
&rst
ixpk= 2876, nxpk= 0, iat= 907, 929, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 61 ARG HA 88 THR HA 3.57 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= 907,1304, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 61 ARG HA 89 VAL HN 3.75 (#peak 2882)
&rst
ixpk= 2882, nxpk= 0, iat= 907,1316, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 61 ARG HA 89 VAL QG2 4.09 (#peak 2880)
&rst
ixpk= 2880, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1326,1327,1328,
&end
#
# 61 ARG HG2 61 ARG QD 2.90 (#peak 3065)
&rst
ixpk= 3065, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 915, 916,
&end
#
# 61 ARG HG2 62 VAL HN 3.79 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat= 912, 929, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 61 ARG HG2 86 GLY HA2 5.31 (#peak 4256)
&rst
ixpk= 4256, nxpk= 0, iat= 912,1286, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 61 ARG HG2 86 GLY HA3 6.15 (#peak 4255)
&rst
ixpk= 4255, nxpk= 0, iat= 912,1287, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 61 ARG HG2 88 THR QG2 5.47 (#peak 4052)
&rst
ixpk= 4052, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1308,1309,1310,
&end
#
# 61 ARG HG3 61 ARG QD 2.48 (#peak 3071)
&rst
ixpk= 3071, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr2= 915, 916,
&end
#
# 61 ARG HG3 86 GLY HA2 5.41 (#peak 4257)
&rst
ixpk= 4257, nxpk= 0, iat= 913,1286, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 61 ARG HG3 88 THR QG2 3.90 (#peak 4051)
&rst
ixpk= 4051, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1308,1309,1310,
&end
#
# 61 ARG QB 103 CYS HB2 5.67 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 909, 910,
&end
#
# 61 ARG QB 103 CYS HB3 5.62 (#peak 1289)
&rst
ixpk= 1289, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 909, 910,
&end
#
# 61 ARG QB 61 ARG HG2 2.40 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1= 909, 910,
&end
#
# 61 ARG QB 61 ARG HG3 2.61 (#peak 3705)
&rst
ixpk= 3705, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr1= 909, 910,
&end
#
# 61 ARG QB 61 ARG QD 2.50 (#peak 3067)
&rst
ixpk= 3067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 909, 910,
igr2= 915, 916,
&end
#
# 61 ARG QB 62 VAL HN 4.14 (#peak 1292)
&rst
ixpk= 1292, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 909, 910,
&end
#
# 61 ARG QB 88 THR QG2 4.26 (#peak 4022)
&rst
ixpk= 4022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 909, 910,
igr2=1308,1309,1310,
&end
#
# 61 ARG QD 62 VAL HN 5.09 (#peak 3066)
&rst
ixpk= 3066, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 915, 916,
&end
#
# 61 ARG QD 86 GLY HA2 4.52 (#peak 4259)
&rst
ixpk= 4259, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 915, 916,
&end
#
# 61 ARG QD 86 GLY HA3 5.83 (#peak 4258)
&rst
ixpk= 4258, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 915, 916,
&end
#
# 61 ARG QD 88 THR QG2 3.24 (#peak 2144)
&rst
ixpk= 2144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 915, 916,
igr2=1308,1309,1310,
&end
#
# 62 VAL HN 102 ILE QG2 5.13 (#peak 680)
&rst
ixpk= 680, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1505,1506,1507,
&end
#
# 62 VAL HN 62 VAL QG1 4.05 (#peak 2031)
&rst
ixpk= 2031, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 935, 936, 937,
&end
#
# 62 VAL HN 62 VAL QG2 4.26 (#peak 3753)
&rst
ixpk= 3753, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 939, 940, 941,
&end
#
# 62 VAL HN 63 ILE HN 5.03 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat= 929, 945, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 62 VAL HN 86 GLY HN 6.15 (#peak 1775)
&rst
ixpk= 1775, nxpk= 0, iat= 929,1284, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 62 VAL HN 87 SER HN 6.15 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= 929,1291, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 62 VAL HN 88 THR HA 4.62 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= 929,1304, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 62 VAL HN 88 THR QG2 6.06 (#peak 2140)
&rst
ixpk= 2140, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1308,1309,1310,
&end
#
# 62 VAL HA 102 ILE HA 3.68 (#peak 2728)
&rst
ixpk= 2728, nxpk= 0, iat= 931,1501, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 62 VAL HA 102 ILE QG1 4.84 (#peak 676)
&rst
ixpk= 676, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1509,1510,
&end
#
# 62 VAL HA 102 ILE QG2 4.72 (#peak 666)
&rst
ixpk= 666, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1505,1506,1507,
&end
#
# 62 VAL HA 103 CYS HN 5.54 (#peak 673)
&rst
ixpk= 673, nxpk= 0, iat= 931,1518, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 62 VAL HA 62 VAL QG1 3.52 (#peak 669)
&rst
ixpk= 669, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 935, 936, 937,
&end
#
# 62 VAL HA 62 VAL QG2 3.36 (#peak 3749)
&rst
ixpk= 3749, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 939, 940, 941,
&end
#
# 62 VAL HA 63 ILE HG12 4.90 (#peak 3168)
&rst
ixpk= 3168, nxpk= 0, iat= 931, 955, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 62 VAL HB 87 SER HN 5.98 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat= 933,1291, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 62 VAL QG1 63 ILE HA 4.74 (#peak 2035)
&rst
ixpk= 2035, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 935, 936, 937,
&end
#
# 62 VAL QG1 64 GLU HN 3.10 (#peak 2033)
&rst
ixpk= 2033, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 935, 936, 937,
&end
#
# 62 VAL QG1 67 SER HB2 5.90 (#peak 2038)
&rst
ixpk= 2038, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 935, 936, 937,
&end
#
# 62 VAL QG1 87 SER HN 5.22 (#peak 2032)
&rst
ixpk= 2032, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 935, 936, 937,
&end
#
# 62 VAL QG2 100 LEU HB3 4.98 (#peak 3747)
&rst
ixpk= 3747, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 939, 940, 941,
&end
#
# 62 VAL QG2 64 GLU HN 6.15 (#peak 3755)
&rst
ixpk= 3755, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 939, 940, 941,
&end
#
# 62 VAL QG2 86 GLY HN 6.15 (#peak 3750)
&rst
ixpk= 3750, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 939, 940, 941,
&end
#
# 62 VAL QG2 87 SER HN 5.47 (#peak 3754)
&rst
ixpk= 3754, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 939, 940, 941,
&end
#
# 62 VAL QG2 87 SER HB3 4.44 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 939, 940, 941,
&end
#
# 62 VAL QG2 89 VAL QG1 2.90 (#peak 3752)
&rst
ixpk= 3752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 939, 940, 941,
igr2=1322,1323,1324,
&end
#
# 62 VAL QG2 89 VAL QG2 3.93 (#peak 3758)
&rst
ixpk= 3758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 939, 940, 941,
igr2=1326,1327,1328,
&end
#
# 63 ILE HN 101 LEU HN 6.15 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= 945,1480, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HN 101 LEU HB2 6.15 (#peak 2503)
&rst
ixpk= 2503, nxpk= 0, iat= 945,1484, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HN 101 LEU QD1 6.15 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1489,1490,1491,
&end
#
# 63 ILE HN 101 LEU QD2 6.15 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1493,1494,1495,
&end
#
# 63 ILE HN 102 ILE HA 4.62 (#peak 2730)
&rst
ixpk= 2730, nxpk= 0, iat= 945,1501, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 63 ILE HN 63 ILE HG12 3.55 (#peak 3173)
&rst
ixpk= 3173, nxpk= 0, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 63 ILE HN 63 ILE HG13 4.55 (#peak 2495)
&rst
ixpk= 2495, nxpk= 0, iat= 945, 956, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 63 ILE HN 63 ILE QD1 4.17 (#peak 2791)
&rst
ixpk= 2791, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 958, 959, 960,
&end
#
# 63 ILE HN 63 ILE QG2 4.09 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 951, 952, 953,
&end
#
# 63 ILE HN 64 GLU HN 5.20 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 63 ILE HA 63 ILE QD1 4.29 (#peak 2455)
&rst
ixpk= 2455, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 958, 959, 960,
&end
#
# 63 ILE HA 63 ILE QG2 2.40 (#peak 2447)
&rst
ixpk= 2447, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 951, 952, 953,
&end
#
# 63 ILE HA 85 PRO HA 4.51 (#peak 4213)
&rst
ixpk= 4213, nxpk= 0, iat= 947,1280, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 63 ILE HA 86 GLY HN 6.15 (#peak 1790)
&rst
ixpk= 1790, nxpk= 0, iat= 947,1284, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HA 86 GLY HA2 4.76 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat= 947,1286, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 63 ILE HB 63 ILE QD1 3.55 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 958, 959, 960,
&end
#
# 63 ILE HB 64 GLU HN 4.71 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat= 949, 964, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 63 ILE HG12 102 ILE HA 5.70 (#peak 3176)
&rst
ixpk= 3176, nxpk= 0, iat= 955,1501, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 63 ILE HG12 64 GLU HN 5.63 (#peak 3172)
&rst
ixpk= 3172, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 63 ILE HG12 87 SER HN 6.15 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat= 955,1291, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE HG13 64 GLU HN 6.15 (#peak 2494)
&rst
ixpk= 2494, nxpk= 0, iat= 956, 964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 63 ILE QD1 64 GLU HN 5.80 (#peak 768)
&rst
ixpk= 768, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 64 GLU HB2 4.92 (#peak 4346)
&rst
ixpk= 4346, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 958, 959, 960,
&end
#
# 63 ILE QD1 64 GLU HB3 6.15 (#peak 4347)
&rst
ixpk= 4347, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 958, 959, 960,
&end
#
# 63 ILE QG2 63 ILE HG12 3.18 (#peak 3169)
&rst
ixpk= 3169, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 63 ILE HG13 3.76 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 951, 952, 953,
&end
#
# 63 ILE QG2 63 ILE QD1 4.14 (#peak 2788)
&rst
ixpk= 2788, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 951, 952, 953,
igr2= 958, 959, 960,
&end
#
# 63 ILE QG2 64 GLU HN 4.48 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 951, 952, 953,
&end
#
# 64 GLU HN 100 LEU HA 6.15 (#peak 1786)
&rst
ixpk= 1786, nxpk= 0, iat= 964,1463, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 GLU HN 100 LEU HB2 6.15 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat= 964,1465, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 GLU HN 101 LEU HN 6.15 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= 964,1480, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 GLU HN 101 LEU HB2 6.15 (#peak 1788)
&rst
ixpk= 1788, nxpk= 0, iat= 964,1484, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 GLU HN 101 LEU HB3 6.15 (#peak 1787)
&rst
ixpk= 1787, nxpk= 0, iat= 964,1485, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 GLU HN 101 LEU QD1 6.15 (#peak 1854)
&rst
ixpk= 1854, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1489,1490,1491,
&end
#
# 64 GLU HN 64 GLU HB2 3.74 (#peak 2242)
&rst
ixpk= 2242, nxpk= 0, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 64 GLU HN 64 GLU HB3 3.85 (#peak 332)
&rst
ixpk= 332, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 64 GLU HN 64 GLU HG2 5.19 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat= 964, 971, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 64 GLU HN 64 GLU HG3 5.93 (#peak 1920)
&rst
ixpk= 1920, nxpk= 0, iat= 964, 972, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 64 GLU HN 65 GLY HN 5.36 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 964, 979, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 64 GLU HA 64 GLU HG2 3.94 (#peak 2404)
&rst
ixpk= 2404, nxpk= 0, iat= 966, 971, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 GLU HA 64 GLU HG3 3.94 (#peak 1923)
&rst
ixpk= 1923, nxpk= 0, iat= 966, 972, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 GLU HA 65 GLY HN 3.15 (#peak 2410)
&rst
ixpk= 2410, nxpk= 0, iat= 966, 979, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 64 GLU HA 85 PRO HA 4.59 (#peak 4239)
&rst
ixpk= 4239, nxpk= 0, iat= 966,1280, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 64 GLU HA 85 PRO HG2 6.15 (#peak 4229)
&rst
ixpk= 4229, nxpk= 0, iat= 966,1274, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 64 GLU HA 85 PRO HG3 6.02 (#peak 4230)
&rst
ixpk= 4230, nxpk= 0, iat= 966,1275, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 64 GLU HB2 100 LEU HA 5.33 (#peak 2244)
&rst
ixpk= 2244, nxpk= 0, iat= 968,1463, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 64 GLU HB2 101 LEU QD1 5.39 (#peak 4236)
&rst
ixpk= 4236, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1489,1490,1491,
&end
#
# 64 GLU HB2 101 LEU QD2 4.90 (#peak 4235)
&rst
ixpk= 4235, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1493,1494,1495,
&end
#
# 64 GLU HB2 65 GLY HN 5.97 (#peak 2247)
&rst
ixpk= 2247, nxpk= 0, iat= 968, 979, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 64 GLU HB3 100 LEU HA 4.47 (#peak 2168)
&rst
ixpk= 2168, nxpk= 0, iat= 969,1463, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 GLU HB3 101 LEU HB3 4.49 (#peak 4311)
&rst
ixpk= 4311, nxpk= 0, iat= 969,1485, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 64 GLU HB3 101 LEU QD1 5.71 (#peak 4238)
&rst
ixpk= 4238, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=1489,1490,1491,
&end
#
# 64 GLU HB3 101 LEU QD2 5.34 (#peak 4237)
&rst
ixpk= 4237, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1493,1494,1495,
&end
#
# 64 GLU HB3 65 GLY HN 4.54 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= 969, 979, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 64 GLU HG2 65 GLY HN 4.87 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= 971, 979, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 64 GLU HG3 65 GLY HN 5.67 (#peak 1924)
&rst
ixpk= 1924, nxpk= 0, iat= 972, 979, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 65 GLY HN 66 HIS HN 6.15 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat= 979, 986, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 GLY HN 85 PRO HA 6.15 (#peak 1789)
&rst
ixpk= 1789, nxpk= 0, iat= 979,1280, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 GLY HN 85 PRO HG2 6.15 (#peak 1805)
&rst
ixpk= 1805, nxpk= 0, iat= 979,1274, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 GLY HN 85 PRO HG3 6.15 (#peak 1804)
&rst
ixpk= 1804, nxpk= 0, iat= 979,1275, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 GLY HA2 100 LEU HA 6.15 (#peak 4203)
&rst
ixpk= 4203, nxpk= 0, iat= 981,1463, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 65 GLY HA2 100 LEU QD2 3.59 (#peak 4375)
&rst
ixpk= 4375, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1474,1475,1476,
&end
#
# 65 GLY HA3 100 LEU HA 5.98 (#peak 4232)
&rst
ixpk= 4232, nxpk= 0, iat= 982,1463, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 65 GLY HA3 100 LEU QD2 3.51 (#peak 4374)
&rst
ixpk= 4374, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1474,1475,1476,
&end
#
# 65 GLY HA3 66 HIS HN 3.24 (#peak 3585)
&rst
ixpk= 3585, nxpk= 0, iat= 982, 986, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 66 HIS HN 100 LEU HA 6.15 (#peak 1863)
&rst
ixpk= 1863, nxpk= 0, iat= 986,1463, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 HIS HN 100 LEU HB2 6.15 (#peak 1859)
&rst
ixpk= 1859, nxpk= 0, iat= 986,1465, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 HIS HN 100 LEU HB3 6.15 (#peak 1858)
&rst
ixpk= 1858, nxpk= 0, iat= 986,1466, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 HIS HN 100 LEU HG 6.15 (#peak 1738)
&rst
ixpk= 1738, nxpk= 0, iat= 986,1468, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 HIS HN 100 LEU QD1 6.15 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1470,1471,1472,
&end
#
# 66 HIS HN 100 LEU QD2 6.15 (#peak 1739)
&rst
ixpk= 1739, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1474,1475,1476,
&end
#
# 66 HIS HN 66 HIS HB3 3.83 (#peak 3395)
&rst
ixpk= 3395, nxpk= 0, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 66 HIS HN 67 SER HN 6.15 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat= 986,1003, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 HIS HN 99 SER HN 6.15 (#peak 1862)
&rst
ixpk= 1862, nxpk= 0, iat= 986,1450, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 66 HIS HA 66 HIS HD2 4.97 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat= 988, 999, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 66 HIS HA 84 LYS HA 4.26 (#peak 4009)
&rst
ixpk= 4009, nxpk= 0, iat= 988,1250, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 66 HIS HA 84 LYS QB 5.50 (#peak 4305)
&rst
ixpk= 4305, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1252,1253,
&end
#
# 66 HIS HB2 67 SER HN 4.63 (#peak 1641)
&rst
ixpk= 1641, nxpk= 0, iat= 990,1003, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 66 HIS HB2 84 LYS QB 5.50 (#peak 4356)
&rst
ixpk= 4356, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1252,1253,
&end
#
# 66 HIS HB3 67 SER HN 4.93 (#peak 3390)
&rst
ixpk= 3390, nxpk= 0, iat= 991,1003, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 66 HIS HB3 84 LYS QB 4.75 (#peak 4357)
&rst
ixpk= 4357, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1252,1253,
&end
#
# 66 HIS HD2 67 SER HN 6.15 (#peak 461)
&rst
ixpk= 461, nxpk= 0, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HN 100 LEU QD1 6.15 (#peak 1821)
&rst
ixpk= 1821, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1470,1471,1472,
&end
#
# 67 SER HN 100 LEU QD2 6.15 (#peak 1820)
&rst
ixpk= 1820, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1474,1475,1476,
&end
#
# 67 SER HN 67 SER HB2 3.39 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat=1003,1007, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 67 SER HN 82 ALA QB 6.15 (#peak 1866)
&rst
ixpk= 1866, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1220,1221,1222,
&end
#
# 67 SER HN 83 LYS HN 5.99 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat=1003,1226, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 67 SER HN 83 LYS QD 6.15 (#peak 1798)
&rst
ixpk= 1798, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1236,1237,
&end
#
# 67 SER HN 84 LYS HA 5.60 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat=1003,1250, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 67 SER HA 98 GLY HN 6.15 (#peak 1741)
&rst
ixpk= 1741, nxpk= 0, iat=1005,1443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HB2 100 LEU QD1 3.92 (#peak 4372)
&rst
ixpk= 4372, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1470,1471,1472,
&end
#
# 67 SER HB2 100 LEU QD2 3.60 (#peak 4373)
&rst
ixpk= 4373, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1474,1475,1476,
&end
#
# 67 SER HB2 68 MET HN 4.62 (#peak 809)
&rst
ixpk= 809, nxpk= 0, iat=1007,1014, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 67 SER HB2 83 LYS HB3 6.15 (#peak 4038)
&rst
ixpk= 4038, nxpk= 0, iat=1007,1231, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HB2 83 LYS HG2 6.15 (#peak 4037)
&rst
ixpk= 4037, nxpk= 0, iat=1007,1233, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HB2 95 ASN HD22 4.86 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat=1007,1408, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 67 SER HB2 97 ASN HN 6.15 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat=1007,1429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HB2 98 GLY HN 5.40 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat=1007,1443, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 67 SER HB3 100 LEU QD1 4.50 (#peak 4370)
&rst
ixpk= 4370, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1470,1471,1472,
&end
#
# 67 SER HB3 100 LEU QD2 4.50 (#peak 4371)
&rst
ixpk= 4371, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1474,1475,1476,
&end
#
# 67 SER HB3 68 MET HN 4.11 (#peak 2522)
&rst
ixpk= 2522, nxpk= 0, iat=1008,1014, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 67 SER HB3 83 LYS HG2 6.15 (#peak 4039)
&rst
ixpk= 4039, nxpk= 0, iat=1008,1233, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HB3 83 LYS HG3 5.38 (#peak 4040)
&rst
ixpk= 4040, nxpk= 0, iat=1008,1234, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 67 SER HB3 95 ASN HD22 4.76 (#peak 2518)
&rst
ixpk= 2518, nxpk= 0, iat=1008,1408, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 67 SER HB3 97 ASN HN 6.15 (#peak 2521)
&rst
ixpk= 2521, nxpk= 0, iat=1008,1429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 67 SER HB3 98 GLY HN 5.91 (#peak 2524)
&rst
ixpk= 2524, nxpk= 0, iat=1008,1443, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 68 MET HN 68 MET HG2 5.39 (#peak 3638)
&rst
ixpk= 3638, nxpk= 0, iat=1014,1021, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 68 MET HN 68 MET HG3 4.76 (#peak 1931)
&rst
ixpk= 1931, nxpk= 0, iat=1014,1022, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 68 MET HN 96 GLN HN 6.15 (#peak 1749)
&rst
ixpk= 1749, nxpk= 0, iat=1014,1412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 MET HN 97 ASN HN 6.15 (#peak 1784)
&rst
ixpk= 1784, nxpk= 0, iat=1014,1429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 MET HN 97 ASN HB2 6.14 (#peak 1513)
&rst
ixpk= 1513, nxpk= 0, iat=1014,1433, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 68 MET HN 97 ASN HB3 5.41 (#peak 3269)
&rst
ixpk= 3269, nxpk= 0, iat=1014,1434, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 68 MET HN 98 GLY HN 6.15 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat=1014,1443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 MET HA 68 MET HG2 3.86 (#peak 3640)
&rst
ixpk= 3640, nxpk= 0, iat=1016,1021, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 68 MET HA 68 MET HG3 3.83 (#peak 1933)
&rst
ixpk= 1933, nxpk= 0, iat=1016,1022, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 68 MET HA 68 MET QE 3.48 (#peak 2107)
&rst
ixpk= 2107, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1025,1026,1027,
&end
#
# 68 MET HA 69 VAL HN 3.20 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 68 MET HA 69 VAL QG2 4.45 (#peak 2810)
&rst
ixpk= 2810, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1041,1042,1043,
&end
#
# 68 MET HA 82 ALA HA 3.23 (#peak 1427)
&rst
ixpk= 1427, nxpk= 0, iat=1016,1218, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 68 MET HA 83 LYS HN 4.87 (#peak 2108)
&rst
ixpk= 2108, nxpk= 0, iat=1016,1226, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 68 MET HB2 68 MET QE 3.52 (#peak 3596)
&rst
ixpk= 3596, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1025,1026,1027,
&end
#
# 68 MET HB2 69 VAL HN 5.42 (#peak 3601)
&rst
ixpk= 3601, nxpk= 0, iat=1018,1031, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 68 MET HB2 96 GLN HN 6.15 (#peak 3600)
&rst
ixpk= 3600, nxpk= 0, iat=1018,1412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 MET HB3 68 MET QE 4.38 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1025,1026,1027,
&end
#
# 68 MET HB3 69 VAL HN 5.37 (#peak 1405)
&rst
ixpk= 1405, nxpk= 0, iat=1019,1031, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 68 MET HB3 96 GLN QB 4.56 (#peak 2053)
&rst
ixpk= 2053, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1416,1417,
&end
#
# 68 MET HG2 68 MET QE 3.65 (#peak 3637)
&rst
ixpk= 3637, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1025,1026,1027,
&end
#
# 68 MET HG2 69 VAL HN 5.74 (#peak 3641)
&rst
ixpk= 3641, nxpk= 0, iat=1021,1031, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 68 MET HG2 81 VAL HN 6.15 (#peak 238)
&rst
ixpk= 238, nxpk= 0, iat=1021,1200, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 MET HG3 68 MET QE 2.66 (#peak 1436)
&rst
ixpk= 1436, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1025,1026,1027,
&end
#
# 68 MET HG3 69 VAL HN 4.80 (#peak 1934)
&rst
ixpk= 1934, nxpk= 0, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 68 MET HG3 80 PRO QB 4.39 (#peak 1930)
&rst
ixpk= 1930, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1193,1194,
&end
#
# 68 MET HG3 81 VAL HN 4.81 (#peak 1927)
&rst
ixpk= 1927, nxpk= 0, iat=1022,1200, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 68 MET HG3 81 VAL HA 4.93 (#peak 1926)
&rst
ixpk= 1926, nxpk= 0, iat=1022,1202, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 68 MET QE 81 VAL HA 3.74 (#peak 1432)
&rst
ixpk= 1432, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1025,1026,1027,
&end
#
# 68 MET QE 82 ALA HN 4.73 (#peak 1438)
&rst
ixpk= 1438, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1025,1026,1027,
&end
#
# 68 MET QE 82 ALA QB 2.52 (#peak 1440)
&rst
ixpk= 1440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=1025,1026,1027,
igr2=1220,1221,1222,
&end
#
# 69 VAL HN 69 VAL HB 3.35 (#peak 3191)
&rst
ixpk= 3191, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 69 VAL HN 69 VAL QG1 4.39 (#peak 1114)
&rst
ixpk= 1114, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1037,1038,1039,
&end
#
# 69 VAL HN 69 VAL QG2 3.10 (#peak 2813)
&rst
ixpk= 2813, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1041,1042,1043,
&end
#
# 69 VAL HN 81 VAL HN 5.06 (#peak 1113)
&rst
ixpk= 1113, nxpk= 0, iat=1031,1200, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 69 VAL HN 82 ALA HA 5.57 (#peak 1116)
&rst
ixpk= 1116, nxpk= 0, iat=1031,1218, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 69 VAL HN 83 LYS HG2 6.13 (#peak 3085)
&rst
ixpk= 3085, nxpk= 0, iat=1031,1233, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 69 VAL HN 96 GLN QB 6.15 (#peak 1118)
&rst
ixpk= 1118, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1416,1417,
&end
#
# 69 VAL HA 69 VAL QG1 2.90 (#peak 3823)
&rst
ixpk= 3823, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1037,1038,1039,
&end
#
# 69 VAL HA 69 VAL QG2 3.17 (#peak 3825)
&rst
ixpk= 3825, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1041,1042,1043,
&end
#
# 69 VAL HA 70 ASP HN 3.09 (#peak 3822)
&rst
ixpk= 3822, nxpk= 0, iat=1033,1047, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 69 VAL HA 95 ASN HA 3.03 (#peak 3104)
&rst
ixpk= 3104, nxpk= 0, iat=1033,1400, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 69 VAL HA 96 GLN HN 4.75 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat=1033,1412, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 69 VAL HB 70 ASP HN 5.08 (#peak 3187)
&rst
ixpk= 3187, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 69 VAL HB 71 GLU QG 4.29 (#peak 3193)
&rst
ixpk= 3193, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1066,1067,
&end
#
# 69 VAL HB 81 VAL HB 5.49 (#peak 4309)
&rst
ixpk= 4309, nxpk= 0, iat=1035,1204, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 69 VAL HB 83 LYS QE 4.02 (#peak 3194)
&rst
ixpk= 3194, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1239,1240,
&end
#
# 69 VAL QG1 70 ASP HN 4.08 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 71 GLU HN 4.59 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 71 GLU HA 5.33 (#peak 3298)
&rst
ixpk= 3298, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 71 GLU QG 3.76 (#peak 3405)
&rst
ixpk= 3405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1037,1038,1039,
igr2=1066,1067,
&end
#
# 69 VAL QG1 83 LYS HG3 4.91 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 83 LYS QE 3.71 (#peak 1025)
&rst
ixpk= 1025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1037,1038,1039,
igr2=1239,1240,
&end
#
# 69 VAL QG1 89 VAL HB 5.24 (#peak 4306)
&rst
ixpk= 4306, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 89 VAL QG1 3.93 (#peak 4046)
&rst
ixpk= 4046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1037,1038,1039,
igr2=1322,1323,1324,
&end
#
# 69 VAL QG1 93 SER QB 5.40 (#peak 4307)
&rst
ixpk= 4307, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1037,1038,1039,
igr2=1372,1373,
&end
#
# 69 VAL QG1 94 ILE HN 5.10 (#peak 1026)
&rst
ixpk= 1026, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 95 ASN HN 4.81 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG1 96 GLN HN 6.00 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1037,1038,1039,
&end
#
# 69 VAL QG2 70 ASP HN 4.60 (#peak 2807)
&rst
ixpk= 2807, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1041,1042,1043,
&end
#
# 69 VAL QG2 83 LYS HG2 3.03 (#peak 3084)
&rst
ixpk= 3084, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1041,1042,1043,
&end
#
# 69 VAL QG2 89 VAL QG1 3.68 (#peak 2809)
&rst
ixpk= 2809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1041,1042,1043,
igr2=1322,1323,1324,
&end
#
# 69 VAL QG2 89 VAL QG2 5.26 (#peak 4047)
&rst
ixpk= 4047, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=1041,1042,1043,
igr2=1326,1327,1328,
&end
#
# 69 VAL QG2 95 ASN HB2 4.55 (#peak 2817)
&rst
ixpk= 2817, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1041,1042,1043,
&end
#
# 69 VAL QG2 96 GLN HN 5.15 (#peak 2811)
&rst
ixpk= 2811, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1041,1042,1043,
&end
#
# 70 ASP HN 70 ASP HB2 3.74 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 70 ASP HN 70 ASP HB3 3.75 (#peak 2250)
&rst
ixpk= 2250, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 70 ASP HN 71 GLU HN 6.02 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 70 ASP HN 94 ILE HN 6.15 (#peak 1587)
&rst
ixpk= 1587, nxpk= 0, iat=1047,1379, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 70 ASP HN 94 ILE HB 4.05 (#peak 752)
&rst
ixpk= 752, nxpk= 0, iat=1047,1383, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 70 ASP HN 94 ILE O 2.4
&rst
ixpk= 752, nxpk= 0, iat=1047,1396, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 70 ASP HN 94 ILE O 2.4
&rst
ixpk= 752, nxpk= 0, iat=1047,1396, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 70 ASP HN 94 ILE QG2 5.32 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1385,1386,1387,
&end
#
# 70 ASP HN 95 ASN HA 4.37 (#peak 3097)
&rst
ixpk= 3097, nxpk= 0, iat=1047,1400, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 70 ASP HA 72 SER HN 5.14 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat=1049,1074, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 70 ASP HA 80 PRO HA 4.60 (#peak 1540)
&rst
ixpk= 1540, nxpk= 0, iat=1049,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 70 ASP HA 81 VAL HN 4.13 (#peak 1539)
&rst
ixpk= 1539, nxpk= 0, iat=1049,1200, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 70 ASP HB2 71 GLU HN 4.84 (#peak 622)
&rst
ixpk= 622, nxpk= 0, iat=1051,1059, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 70 ASP HB2 94 ILE HB 4.87 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat=1051,1383, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 70 ASP HB3 71 GLU HN 4.66 (#peak 2251)
&rst
ixpk= 2251, nxpk= 0, iat=1052,1059, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 70 ASP HB3 94 ILE HN 4.67 (#peak 2256)
&rst
ixpk= 2256, nxpk= 0, iat=1052,1379, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 70 ASP HB3 94 ILE QD1 5.40 (#peak 1833)
&rst
ixpk= 1833, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1392,1393,1394,
&end
#
# 70 ASP HB3 94 ILE QG1 4.20 (#peak 2417)
&rst
ixpk= 2417, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1389,1390,
&end
#
# 71 GLU HN 71 GLU QG 3.73 (#peak 3406)
&rst
ixpk= 3406, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1066,1067,
&end
#
# 71 GLU HN 72 SER HN 6.15 (#peak 588)
&rst
ixpk= 588, nxpk= 0, iat=1059,1074, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 GLU HN 80 PRO HA 5.82 (#peak 587)
&rst
ixpk= 587, nxpk= 0, iat=1059,1196, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 71 GLU HA 71 GLU QG 3.56 (#peak 3412)
&rst
ixpk= 3412, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1066,1067,
&end
#
# 71 GLU HA 74 ILE HN 6.15 (#peak 1811)
&rst
ixpk= 1811, nxpk= 0, iat=1061,1104, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 GLU HA 74 ILE HB 5.17 (#peak 4278)
&rst
ixpk= 4278, nxpk= 0, iat=1061,1108, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 71 GLU HA 90 ILE QD1 4.97 (#peak 4369)
&rst
ixpk= 4369, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1345,1346,1347,
&end
#
# 71 GLU HA 94 ILE HN 4.87 (#peak 3303)
&rst
ixpk= 3303, nxpk= 0, iat=1061,1379, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 71 GLU QB 71 GLU QG 2.40 (#peak 1665)
&rst
ixpk= 1665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1063,1064,
igr2=1066,1067,
&end
#
# 71 GLU QB 72 SER HN 5.85 (#peak 1659)
&rst
ixpk= 1659, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1063,1064,
&end
#
# 71 GLU QB 74 ILE HN 5.94 (#peak 828)
&rst
ixpk= 828, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1063,1064,
&end
#
# 71 GLU QB 75 THR HN 5.50 (#peak 1663)
&rst
ixpk= 1663, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 71 GLU QB 75 THR QG2 4.83 (#peak 4111)
&rst
ixpk= 4111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1063,1064,
igr2=1129,1130,1131,
&end
#
# 71 GLU QB 90 ILE QD1 4.36 (#peak 4367)
&rst
ixpk= 4367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1063,1064,
igr2=1345,1346,1347,
&end
#
# 71 GLU QB 93 SER QB 4.46 (#peak 4207)
&rst
ixpk= 4207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1063,1064,
igr2=1372,1373,
&end
#
# 71 GLU QG 72 SER HN 4.79 (#peak 3404)
&rst
ixpk= 3404, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1066,1067,
&end
#
# 71 GLU QG 74 ILE HN 6.15 (#peak 1831)
&rst
ixpk= 1831, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1066,1067,
&end
#
# 71 GLU QG 75 THR HN 6.15 (#peak 1324)
&rst
ixpk= 1324, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1066,1067,
&end
#
# 71 GLU QG 75 THR QG2 4.72 (#peak 4114)
&rst
ixpk= 4114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1066,1067,
igr2=1129,1130,1131,
&end
#
# 71 GLU QG 77 GLU HG2 5.56 (#peak 4187)
&rst
ixpk= 4187, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1066,1067,
&end
#
# 71 GLU QG 77 GLU HG3 4.90 (#peak 4188)
&rst
ixpk= 4188, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1066,1067,
&end
#
# 71 GLU QG 81 VAL HN 5.18 (#peak 3403)
&rst
ixpk= 3403, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1066,1067,
&end
#
# 71 GLU QG 90 ILE QD1 3.91 (#peak 4366)
&rst
ixpk= 4366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1066,1067,
igr2=1345,1346,1347,
&end
#
# 71 GLU QG 93 SER QB 4.09 (#peak 1569)
&rst
ixpk= 1569, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1066,1067,
igr2=1372,1373,
&end
#
# 72 SER HN 73 LEU HN 6.15 (#peak 384)
&rst
ixpk= 384, nxpk= 0, iat=1074,1085, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 72 SER HA 75 THR HN 5.57 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat=1076,1123, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 72 SER HB2 73 LEU HN 4.78 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat=1078,1085, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 72 SER HB2 74 ILE HN 6.15 (#peak 825)
&rst
ixpk= 825, nxpk= 0, iat=1078,1104, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 72 SER HB2 78 ALA HN 5.58 (#peak 1718)
&rst
ixpk= 1718, nxpk= 0, iat=1078,1159, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 72 SER HB2 78 ALA HA 4.59 (#peak 3918)
&rst
ixpk= 3918, nxpk= 0, iat=1078,1161, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 72 SER HB2 78 ALA QB 4.36 (#peak 3920)
&rst
ixpk= 3920, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1163,1164,1165,
&end
#
# 72 SER HB2 79 MET HN 6.15 (#peak 1720)
&rst
ixpk= 1720, nxpk= 0, iat=1078,1169, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 72 SER HB3 73 LEU HN 5.01 (#peak 2527)
&rst
ixpk= 2527, nxpk= 0, iat=1079,1085, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 72 SER HB3 78 ALA HN 5.97 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat=1079,1159, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 72 SER HB3 78 ALA HA 4.46 (#peak 3919)
&rst
ixpk= 3919, nxpk= 0, iat=1079,1161, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 72 SER HB3 78 ALA QB 4.61 (#peak 3921)
&rst
ixpk= 3921, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1163,1164,1165,
&end
#
# 72 SER HB3 79 MET HN 6.14 (#peak 1721)
&rst
ixpk= 1721, nxpk= 0, iat=1079,1169, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 73 LEU HN 73 LEU HB2 3.66 (#peak 2439)
&rst
ixpk= 2439, nxpk= 0, iat=1085,1089, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 73 LEU HN 73 LEU HB3 4.06 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat=1085,1090, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 73 LEU HN 73 LEU HG 5.30 (#peak 1862)
&rst
ixpk= 1862, nxpk= 0, iat=1085,1092, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 LEU HN 73 LEU QD1 4.75 (#peak 3587)
&rst
ixpk= 3587, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1094,1095,1096,
&end
#
# 73 LEU HN 73 LEU QD2 4.92 (#peak 1388)
&rst
ixpk= 1388, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1098,1099,1100,
&end
#
# 73 LEU HN 74 ILE HN 5.25 (#peak 822)
&rst
ixpk= 822, nxpk= 0, iat=1085,1104, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 73 LEU HA 73 LEU HG 3.90 (#peak 1866)
&rst
ixpk= 1866, nxpk= 0, iat=1087,1092, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 73 LEU HA 73 LEU QD1 3.79 (#peak 3592)
&rst
ixpk= 3592, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1094,1095,1096,
&end
#
# 73 LEU HA 73 LEU QD2 3.90 (#peak 2303)
&rst
ixpk= 2303, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1098,1099,1100,
&end
#
# 73 LEU HA 76 GLY HN 4.84 (#peak 2300)
&rst
ixpk= 2300, nxpk= 0, iat=1087,1137, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 73 LEU HA 76 GLY HA2 4.01 (#peak 4189)
&rst
ixpk= 4189, nxpk= 0, iat=1087,1139, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 73 LEU HB2 73 LEU QD1 3.33 (#peak 2445)
&rst
ixpk= 2445, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1094,1095,1096,
&end
#
# 73 LEU HB2 73 LEU QD2 3.80 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1098,1099,1100,
&end
#
# 73 LEU HB2 74 ILE HN 5.23 (#peak 2442)
&rst
ixpk= 2442, nxpk= 0, iat=1089,1104, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 73 LEU HB3 73 LEU QD1 2.63 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2=1094,1095,1096,
&end
#
# 73 LEU HB3 73 LEU QD2 3.68 (#peak 276)
&rst
ixpk= 276, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1098,1099,1100,
&end
#
# 73 LEU HB3 74 ILE HN 3.93 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat=1090,1104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 73 LEU HB3 74 ILE HG13 6.15 (#peak 2769)
&rst
ixpk= 2769, nxpk= 0, iat=1090,1115, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 73 LEU HG 74 ILE HN 5.58 (#peak 1865)
&rst
ixpk= 1865, nxpk= 0, iat=1092,1104, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 73 LEU QD1 74 ILE HN 6.15 (#peak 3591)
&rst
ixpk= 3591, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1094,1095,1096,
&end
#
# 73 LEU QD1 74 ILE HA 4.12 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1094,1095,1096,
&end
#
# 73 LEU QD2 74 ILE HN 6.01 (#peak 1393)
&rst
ixpk= 1393, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1098,1099,1100,
&end
#
# 74 ILE HN 74 ILE HB 3.81 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat=1104,1108, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 74 ILE HN 74 ILE HG12 3.80 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat=1104,1114, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 74 ILE HN 74 ILE HG13 3.98 (#peak 2774)
&rst
ixpk= 2774, nxpk= 0, iat=1104,1115, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 74 ILE HN 74 ILE QD1 4.21 (#peak 57)
&rst
ixpk= 57, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1117,1118,1119,
&end
#
# 74 ILE HN 74 ILE QG2 5.33 (#peak 2197)
&rst
ixpk= 2197, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1110,1111,1112,
&end
#
# 74 ILE HN 75 THR HN 3.56 (#peak 1319)
&rst
ixpk= 1319, nxpk= 0, iat=1104,1123, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 74 ILE HA 74 ILE HG12 3.57 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat=1106,1114, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 74 ILE HA 74 ILE QD1 3.04 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1117,1118,1119,
&end
#
# 74 ILE HA 74 ILE QG2 2.92 (#peak 2195)
&rst
ixpk= 2195, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1110,1111,1112,
&end
#
# 74 ILE HB 74 ILE HG13 3.00 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 ILE HB 74 ILE QD1 3.32 (#peak 53)
&rst
ixpk= 53, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1117,1118,1119,
&end
#
# 74 ILE HB 75 THR HN 3.64 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat=1108,1123, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 74 ILE HB 75 THR QG2 4.56 (#peak 597)
&rst
ixpk= 597, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1129,1130,1131,
&end
#
# 74 ILE HB 76 GLY HN 4.95 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat=1108,1137, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 74 ILE HG12 75 THR HN 5.24 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat=1114,1123, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 74 ILE HG12 76 GLY HN 6.15 (#peak 1722)
&rst
ixpk= 1722, nxpk= 0, iat=1114,1137, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 74 ILE HG12 93 SER HN 6.15 (#peak 1881)
&rst
ixpk= 1881, nxpk= 0, iat=1114,1368, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 74 ILE HG13 93 SER HN 4.65 (#peak 2776)
&rst
ixpk= 2776, nxpk= 0, iat=1115,1368, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 74 ILE QD1 113 LEU QD1 5.29 (#peak 4129)
&rst
ixpk= 4129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1117,1118,1119,
igr2=1652,1653,1654,
&end
#
# 74 ILE QD1 113 LEU QD2 4.59 (#peak 4130)
&rst
ixpk= 4130, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1117,1118,1119,
igr2=1656,1657,1658,
&end
#
# 74 ILE QD1 75 THR HN 4.79 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1117,1118,1119,
&end
#
# 74 ILE QD1 76 GLY HN 6.15 (#peak 1724)
&rst
ixpk= 1724, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1117,1118,1119,
&end
#
# 74 ILE QD1 90 ILE QD1 4.26 (#peak 4119)
&rst
ixpk= 4119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1117,1118,1119,
igr2=1345,1346,1347,
&end
#
# 74 ILE QD1 90 ILE QG1 4.60 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1117,1118,1119,
igr2=1342,1343,
&end
#
# 74 ILE QD1 90 ILE QG2 4.59 (#peak 4131)
&rst
ixpk= 4131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1117,1118,1119,
igr2=1338,1339,1340,
&end
#
# 74 ILE QD1 92 GLY HN 5.27 (#peak 59)
&rst
ixpk= 59, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1117,1118,1119,
&end
#
# 74 ILE QD1 92 GLY HA3 3.29 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1117,1118,1119,
&end
#
# 74 ILE QD1 93 SER HN 4.50 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1117,1118,1119,
&end
#
# 74 ILE QG2 74 ILE HG12 3.77 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1110,1111,1112,
&end
#
# 74 ILE QG2 74 ILE HG13 3.48 (#peak 2775)
&rst
ixpk= 2775, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1110,1111,1112,
&end
#
# 74 ILE QG2 74 ILE QD1 2.40 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1110,1111,1112,
igr2=1117,1118,1119,
&end
#
# 74 ILE QG2 75 THR HN 3.72 (#peak 2200)
&rst
ixpk= 2200, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1110,1111,1112,
&end
#
# 74 ILE QG2 75 THR HA 4.69 (#peak 2194)
&rst
ixpk= 2194, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1110,1111,1112,
&end
#
# 74 ILE QG2 75 THR QG2 4.40 (#peak 2196)
&rst
ixpk= 2196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1110,1111,1112,
igr2=1129,1130,1131,
&end
#
# 74 ILE QG2 76 GLY HN 6.15 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1110,1111,1112,
&end
#
# 75 THR HN 75 THR QG2 4.32 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1129,1130,1131,
&end
#
# 75 THR HN 76 GLY HN 6.15 (#peak 22)
&rst
ixpk= 22, nxpk= 0, iat=1123,1137, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 THR HN 77 GLU HN 5.38 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat=1123,1144, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 75 THR HA 75 THR QG2 2.65 (#peak 1164)
&rst
ixpk= 1164, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1129,1130,1131,
&end
#
# 75 THR HB 76 GLY HN 6.15 (#peak 3346)
&rst
ixpk= 3346, nxpk= 0, iat=1127,1137, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 THR HB 77 GLU HN 4.26 (#peak 3350)
&rst
ixpk= 3350, nxpk= 0, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 75 THR QG2 76 GLY HN 4.53 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1129,1130,1131,
&end
#
# 75 THR QG2 77 GLU HN 5.36 (#peak 1168)
&rst
ixpk= 1168, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1129,1130,1131,
&end
#
# 75 THR QG2 77 GLU HG2 4.81 (#peak 4134)
&rst
ixpk= 4134, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1129,1130,1131,
&end
#
# 75 THR QG2 77 GLU HG3 4.65 (#peak 4133)
&rst
ixpk= 4133, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1129,1130,1131,
&end
#
# 76 GLY HN 77 GLU HN 4.01 (#peak 1365)
&rst
ixpk= 1365, nxpk= 0, iat=1137,1144, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 76 GLY HN 77 GLU HB2 6.15 (#peak 16)
&rst
ixpk= 16, nxpk= 0, iat=1137,1148, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 GLY HN 77 GLU HG2 6.15 (#peak 2225)
&rst
ixpk= 2225, nxpk= 0, iat=1137,1151, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 76 GLY HN 77 GLU HG3 6.15 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat=1137,1152, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 GLU HN 77 GLU HB2 4.03 (#peak 791)
&rst
ixpk= 791, nxpk= 0, iat=1144,1148, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 77 GLU HN 77 GLU HB3 4.07 (#peak 2464)
&rst
ixpk= 2464, nxpk= 0, iat=1144,1149, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 77 GLU HN 77 GLU HG2 3.50 (#peak 2231)
&rst
ixpk= 2231, nxpk= 0, iat=1144,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 GLU HN 77 GLU HG3 4.70 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat=1144,1152, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 77 GLU HN 78 ALA HN 5.20 (#peak 1819)
&rst
ixpk= 1819, nxpk= 0, iat=1144,1159, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 GLU HN 79 MET HN 6.15 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat=1144,1169, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 GLU HA 77 GLU HG2 3.99 (#peak 2229)
&rst
ixpk= 2229, nxpk= 0, iat=1146,1151, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 77 GLU HA 77 GLU HG3 4.01 (#peak 293)
&rst
ixpk= 293, nxpk= 0, iat=1146,1152, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 77 GLU HA 79 MET HN 5.24 (#peak 2353)
&rst
ixpk= 2353, nxpk= 0, iat=1146,1169, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 77 GLU HB2 78 ALA HN 4.76 (#peak 787)
&rst
ixpk= 787, nxpk= 0, iat=1148,1159, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 77 GLU HB2 79 MET HN 4.96 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat=1148,1169, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 77 GLU HB3 78 ALA HN 4.72 (#peak 2460)
&rst
ixpk= 2460, nxpk= 0, iat=1149,1159, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 77 GLU HB3 79 MET HN 5.32 (#peak 2458)
&rst
ixpk= 2458, nxpk= 0, iat=1149,1169, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 77 GLU HG2 78 ALA HN 6.15 (#peak 1815)
&rst
ixpk= 1815, nxpk= 0, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 GLU HG2 79 MET HN 6.15 (#peak 1817)
&rst
ixpk= 1817, nxpk= 0, iat=1151,1169, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 GLU HG2 81 VAL QG1 6.15 (#peak 4192)
&rst
ixpk= 4192, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1206,1207,1208,
&end
#
# 77 GLU HG2 81 VAL QG2 4.77 (#peak 4191)
&rst
ixpk= 4191, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1210,1211,1212,
&end
#
# 77 GLU HG3 78 ALA HN 6.15 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat=1152,1159, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 GLU HG3 79 MET HN 5.56 (#peak 1818)
&rst
ixpk= 1818, nxpk= 0, iat=1152,1169, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 77 GLU HG3 81 VAL QG1 5.24 (#peak 4194)
&rst
ixpk= 4194, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1206,1207,1208,
&end
#
# 77 GLU HG3 81 VAL QG2 4.45 (#peak 4193)
&rst
ixpk= 4193, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1210,1211,1212,
&end
#
# 78 ALA HN 78 ALA QB 4.06 (#peak 1876)
&rst
ixpk= 1876, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1163,1164,1165,
&end
#
# 78 ALA HN 79 MET HN 6.15 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 ALA HN 79 MET HB2 5.99 (#peak 1748)
&rst
ixpk= 1748, nxpk= 0, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 78 ALA HN 79 MET HB3 5.72 (#peak 1749)
&rst
ixpk= 1749, nxpk= 0, iat=1159,1174, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 78 ALA HN 79 MET QG 6.15 (#peak 738)
&rst
ixpk= 738, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1176,1177,
&end
#
# 78 ALA QB 79 MET HN 3.79 (#peak 1875)
&rst
ixpk= 1875, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1163,1164,1165,
&end
#
# 79 MET HN 79 MET HB2 4.03 (#peak 1518)
&rst
ixpk= 1518, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 MET HN 79 MET QG 4.02 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1176,1177,
&end
#
# 79 MET HA 79 MET QG 3.57 (#peak 1097)
&rst
ixpk= 1097, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1176,1177,
&end
#
# 79 MET HA 80 PRO HD2 2.74 (#peak 3357)
&rst
ixpk= 3357, nxpk= 0, iat=1171,1187, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 79 MET HA 80 PRO HD3 2.56 (#peak 1177)
&rst
ixpk= 1177, nxpk= 0, iat=1171,1188, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 79 MET HB2 79 MET QG 2.52 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2=1176,1177,
&end
#
# 79 MET HB3 79 MET QG 2.64 (#peak 3276)
&rst
ixpk= 3276, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2=1176,1177,
&end
#
# 79 MET HB3 80 PRO HD2 4.28 (#peak 3363)
&rst
ixpk= 3363, nxpk= 0, iat=1174,1187, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 80 PRO HA 81 VAL HN 3.10 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat=1196,1200, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 80 PRO HA 81 VAL QG2 4.19 (#peak 590)
&rst
ixpk= 590, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1210,1211,1212,
&end
#
# 80 PRO QB 81 VAL HN 3.89 (#peak 1614)
&rst
ixpk= 1614, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1193,1194,
&end
#
# 81 VAL HN 81 VAL HB 3.10 (#peak 2473)
&rst
ixpk= 2473, nxpk= 0, iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 81 VAL HN 81 VAL QG1 5.20 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1206,1207,1208,
&end
#
# 81 VAL HN 81 VAL QG2 3.00 (#peak 1895)
&rst
ixpk= 1895, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1210,1211,1212,
&end
#
# 81 VAL HN 82 ALA HN 6.15 (#peak 1161)
&rst
ixpk= 1161, nxpk= 0, iat=1200,1216, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 81 VAL HA 81 VAL QG1 3.16 (#peak 302)
&rst
ixpk= 302, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1206,1207,1208,
&end
#
# 81 VAL HA 81 VAL QG2 3.34 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1210,1211,1212,
&end
#
# 81 VAL HA 82 ALA HN 2.65 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat=1202,1216, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 81 VAL HB 82 ALA HN 4.50 (#peak 2476)
&rst
ixpk= 2476, nxpk= 0, iat=1204,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 VAL HB 83 LYS QE 4.39 (#peak 2477)
&rst
ixpk= 2477, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1239,1240,
&end
#
# 81 VAL QG1 82 ALA HN 3.09 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1206,1207,1208,
&end
#
# 81 VAL QG1 82 ALA QB 4.42 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1=1206,1207,1208,
igr2=1220,1221,1222,
&end
#
# 81 VAL QG1 83 LYS QD 5.00 (#peak 304)
&rst
ixpk= 304, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1206,1207,1208,
igr2=1236,1237,
&end
#
# 81 VAL QG1 83 LYS QE 3.89 (#peak 3491)
&rst
ixpk= 3491, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1206,1207,1208,
igr2=1239,1240,
&end
#
# 81 VAL QG2 82 ALA HN 4.50 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1210,1211,1212,
&end
#
# 82 ALA HN 82 ALA QB 2.51 (#peak 3616)
&rst
ixpk= 3616, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2=1220,1221,1222,
&end
#
# 82 ALA HA 83 LYS HN 2.62 (#peak 1426)
&rst
ixpk= 1426, nxpk= 0, iat=1218,1226, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 82 ALA HA 83 LYS HG2 5.18 (#peak 3081)
&rst
ixpk= 3081, nxpk= 0, iat=1218,1233, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 82 ALA QB 83 LYS HN 3.30 (#peak 3615)
&rst
ixpk= 3615, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1220,1221,1222,
&end
#
# 83 LYS HN 83 LYS HB3 4.02 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat=1226,1231, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 83 LYS HN 83 LYS HG2 4.76 (#peak 3082)
&rst
ixpk= 3082, nxpk= 0, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 83 LYS HN 83 LYS HG3 5.74 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat=1226,1234, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 83 LYS HN 83 LYS QD 5.04 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1236,1237,
&end
#
# 83 LYS HN 83 LYS QE 6.15 (#peak 3496)
&rst
ixpk= 3496, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1239,1240,
&end
#
# 83 LYS HN 84 LYS HN 6.15 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat=1226,1248, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LYS HA 83 LYS HG2 3.81 (#peak 3078)
&rst
ixpk= 3078, nxpk= 0, iat=1228,1233, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 83 LYS HA 83 LYS QD 3.72 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1236,1237,
&end
#
# 83 LYS HA 83 LYS QE 4.37 (#peak 3493)
&rst
ixpk= 3493, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1239,1240,
&end
#
# 83 LYS HA 84 LYS HN 3.26 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat=1228,1248, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 83 LYS HB2 83 LYS QD 3.56 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1236,1237,
&end
#
# 83 LYS HB2 83 LYS QE 4.59 (#peak 3497)
&rst
ixpk= 3497, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1239,1240,
&end
#
# 83 LYS HB2 84 LYS HN 4.74 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat=1230,1248, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 83 LYS HB3 83 LYS QD 2.96 (#peak 1316)
&rst
ixpk= 1316, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1236,1237,
&end
#
# 83 LYS HB3 83 LYS QE 4.72 (#peak 3490)
&rst
ixpk= 3490, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1239,1240,
&end
#
# 83 LYS HB3 84 LYS HN 4.67 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 83 LYS HG2 83 LYS QD 2.98 (#peak 1324)
&rst
ixpk= 1324, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1236,1237,
&end
#
# 83 LYS HG2 83 LYS QE 2.95 (#peak 3499)
&rst
ixpk= 3499, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1239,1240,
&end
#
# 83 LYS HG2 84 LYS HN 5.20 (#peak 3080)
&rst
ixpk= 3080, nxpk= 0, iat=1233,1248, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 LYS HG2 87 SER HB2 6.15 (#peak 4350)
&rst
ixpk= 4350, nxpk= 0, iat=1233,1295, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LYS HG2 87 SER HB3 6.05 (#peak 4353)
&rst
ixpk= 4353, nxpk= 0, iat=1233,1296, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 83 LYS HG3 83 LYS QD 2.54 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
igr2=1236,1237,
&end
#
# 83 LYS HG3 83 LYS QE 3.15 (#peak 3492)
&rst
ixpk= 3492, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1239,1240,
&end
#
# 83 LYS HG3 84 LYS HN 5.23 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat=1234,1248, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 83 LYS HG3 87 SER HB2 6.15 (#peak 4351)
&rst
ixpk= 4351, nxpk= 0, iat=1234,1295, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 83 LYS HG3 87 SER HB3 6.10 (#peak 4352)
&rst
ixpk= 4352, nxpk= 0, iat=1234,1296, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 83 LYS QD 84 LYS HN 4.20 (#peak 1321)
&rst
ixpk= 1321, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1236,1237,
&end
#
# 84 LYS HN 84 LYS HG2 5.02 (#peak 3118)
&rst
ixpk= 3118, nxpk= 0, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 84 LYS HN 84 LYS HG3 6.15 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat=1248,1256, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 84 LYS HN 84 LYS QB 4.05 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1252,1253,
&end
#
# 84 LYS HN 84 LYS QD 5.36 (#peak 1361)
&rst
ixpk= 1361, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1258,1259,
&end
#
# 84 LYS HN 87 SER HN 6.15 (#peak 1791)
&rst
ixpk= 1791, nxpk= 0, iat=1248,1291, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 84 LYS HN 87 SER HB2 6.15 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat=1248,1295, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 84 LYS HN 87 SER HB3 6.15 (#peak 1807)
&rst
ixpk= 1807, nxpk= 0, iat=1248,1296, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 84 LYS HA 84 LYS HG2 4.18 (#peak 3114)
&rst
ixpk= 3114, nxpk= 0, iat=1250,1255, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 84 LYS HA 84 LYS HG3 4.08 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat=1250,1256, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 84 LYS HA 84 LYS QD 4.55 (#peak 1358)
&rst
ixpk= 1358, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1258,1259,
&end
#
# 84 LYS HA 84 LYS QE 4.90 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1261,1262,
&end
#
# 84 LYS HG2 84 LYS QE 3.35 (#peak 3121)
&rst
ixpk= 3121, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1261,1262,
&end
#
# 84 LYS HG2 85 PRO QD 5.20 (#peak 1199)
&rst
ixpk= 1199, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1271,1272,
&end
#
# 84 LYS HG3 84 LYS QE 3.43 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1261,1262,
&end
#
# 84 LYS HG3 85 PRO QD 4.57 (#peak 1195)
&rst
ixpk= 1195, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1271,1272,
&end
#
# 84 LYS QB 84 LYS QD 3.59 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1252,1253,
igr2=1258,1259,
&end
#
# 84 LYS QB 84 LYS QE 2.61 (#peak 3524)
&rst
ixpk= 3524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1=1252,1253,
igr2=1261,1262,
&end
#
# 84 LYS QB 85 PRO QD 2.72 (#peak 1196)
&rst
ixpk= 1196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1252,1253,
igr2=1271,1272,
&end
#
# 84 LYS QB 87 SER HN 5.74 (#peak 925)
&rst
ixpk= 925, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1252,1253,
&end
#
# 84 LYS QD 84 LYS QE 2.40 (#peak 3527)
&rst
ixpk= 3527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1258,1259,
igr2=1261,1262,
&end
#
# 84 LYS QE 85 PRO QD 4.28 (#peak 3525)
&rst
ixpk= 3525, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1261,1262,
igr2=1271,1272,
&end
#
# 85 PRO HA 86 GLY HN 3.11 (#peak 3686)
&rst
ixpk= 3686, nxpk= 0, iat=1280,1284, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 85 PRO HG2 86 GLY HN 5.23 (#peak 1634)
&rst
ixpk= 1634, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 85 PRO QB 86 GLY HN 4.12 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1277,1278,
&end
#
# 86 GLY HN 87 SER HN 4.40 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 86 GLY HA2 87 SER HN 3.56 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat=1286,1291, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 87 SER HN 87 SER HB2 3.01 (#peak 2997)
&rst
ixpk= 2997, nxpk= 0, iat=1291,1295, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 87 SER HA 88 THR QG2 3.86 (#peak 2142)
&rst
ixpk= 2142, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1308,1309,1310,
&end
#
# 87 SER HB2 88 THR HN 4.89 (#peak 2995)
&rst
ixpk= 2995, nxpk= 0, iat=1295,1302, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 87 SER HB3 88 THR HN 4.53 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat=1296,1302, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 88 THR HN 88 THR HB 4.17 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat=1302,1306, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 88 THR HN 88 THR QG2 3.37 (#peak 2138)
&rst
ixpk= 2138, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1308,1309,1310,
&end
#
# 88 THR HN 89 VAL HN 4.70 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat=1302,1316, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 88 THR HA 88 THR QG2 2.71 (#peak 2141)
&rst
ixpk= 2141, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2=1308,1309,1310,
&end
#
# 88 THR HA 89 VAL HN 3.01 (#peak 1561)
&rst
ixpk= 1561, nxpk= 0, iat=1304,1316, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 88 THR HA 89 VAL QG1 5.04 (#peak 1555)
&rst
ixpk= 1555, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1322,1323,1324,
&end
#
# 88 THR HA 89 VAL QG2 3.98 (#peak 2927)
&rst
ixpk= 2927, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1326,1327,1328,
&end
#
# 88 THR HB 89 VAL HN 4.20 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat=1306,1316, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 88 THR QG2 89 VAL HN 4.65 (#peak 2145)
&rst
ixpk= 2145, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1308,1309,1310,
&end
#
# 89 VAL HN 89 VAL QG1 3.87 (#peak 1137)
&rst
ixpk= 1137, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1322,1323,1324,
&end
#
# 89 VAL HN 89 VAL QG2 3.15 (#peak 2933)
&rst
ixpk= 2933, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1326,1327,1328,
&end
#
# 89 VAL HA 89 VAL QG1 3.15 (#peak 1136)
&rst
ixpk= 1136, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1322,1323,1324,
&end
#
# 89 VAL HA 89 VAL QG2 3.62 (#peak 2932)
&rst
ixpk= 2932, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1326,1327,1328,
&end
#
# 89 VAL HA 90 ILE HN 3.48 (#peak 3503)
&rst
ixpk= 3503, nxpk= 0, iat=1318,1332, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 89 VAL HB 90 ILE HN 4.06 (#peak 3305)
&rst
ixpk= 3305, nxpk= 0, iat=1320,1332, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 89 VAL QG1 102 ILE QG1 4.76 (#peak 1139)
&rst
ixpk= 1139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1322,1323,1324,
igr2=1509,1510,
&end
#
# 89 VAL QG1 90 ILE HN 4.33 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1322,1323,1324,
&end
#
# 89 VAL QG2 102 ILE QG1 4.78 (#peak 2935)
&rst
ixpk= 2935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1326,1327,1328,
igr2=1509,1510,
&end
#
# 89 VAL QG2 102 ILE QG2 3.47 (#peak 2924)
&rst
ixpk= 2924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1326,1327,1328,
igr2=1505,1506,1507,
&end
#
# 89 VAL QG2 90 ILE HN 5.94 (#peak 2928)
&rst
ixpk= 2928, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1326,1327,1328,
&end
#
# 89 VAL QG2 90 ILE HA 5.25 (#peak 2925)
&rst
ixpk= 2925, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1326,1327,1328,
&end
#
# 90 ILE HN 90 ILE QD1 5.28 (#peak 947)
&rst
ixpk= 947, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1345,1346,1347,
&end
#
# 90 ILE HN 90 ILE QG1 6.15 (#peak 1382)
&rst
ixpk= 1382, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1342,1343,
&end
#
# 90 ILE HN 90 ILE QG2 6.15 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1338,1339,1340,
&end
#
# 90 ILE HN 91 ALA HN 6.15 (#peak 988)
&rst
ixpk= 988, nxpk= 0, iat=1332,1351, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 90 ILE HA 90 ILE QD1 4.23 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1345,1346,1347,
&end
#
# 90 ILE HA 90 ILE QG1 3.61 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1342,1343,
&end
#
# 90 ILE HA 90 ILE QG2 3.69 (#peak 3128)
&rst
ixpk= 3128, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1338,1339,1340,
&end
#
# 90 ILE HA 91 ALA HN 3.20 (#peak 741)
&rst
ixpk= 741, nxpk= 0, iat=1334,1351, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 90 ILE HB 113 LEU QD1 3.51 (#peak 4391)
&rst
ixpk= 4391, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1652,1653,1654,
&end
#
# 90 ILE HB 90 ILE QD1 3.59 (#peak 3542)
&rst
ixpk= 3542, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1345,1346,1347,
&end
#
# 90 ILE HB 90 ILE QG1 2.58 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=1342,1343,
&end
#
# 90 ILE HB 91 ALA HN 5.70 (#peak 3541)
&rst
ixpk= 3541, nxpk= 0, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 90 ILE QD1 91 ALA HN 5.44 (#peak 942)
&rst
ixpk= 942, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1345,1346,1347,
&end
#
# 90 ILE QD1 91 ALA HA 4.91 (#peak 948)
&rst
ixpk= 948, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1345,1346,1347,
&end
#
# 90 ILE QD1 93 SER HN 6.15 (#peak 1010)
&rst
ixpk= 1010, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1345,1346,1347,
&end
#
# 90 ILE QG1 91 ALA HN 5.55 (#peak 1379)
&rst
ixpk= 1379, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1342,1343,
&end
#
# 90 ILE QG2 112 THR QG2 4.64 (#peak 3914)
&rst
ixpk= 3914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1338,1339,1340,
igr2=1635,1636,1637,
&end
#
# 90 ILE QG2 90 ILE QD1 3.99 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1338,1339,1340,
igr2=1345,1346,1347,
&end
#
# 90 ILE QG2 90 ILE QG1 3.28 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1338,1339,1340,
igr2=1342,1343,
&end
#
# 90 ILE QG2 91 ALA HN 4.42 (#peak 3129)
&rst
ixpk= 3129, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1338,1339,1340,
&end
#
# 90 ILE QG2 93 SER HN 6.15 (#peak 1023)
&rst
ixpk= 1023, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1338,1339,1340,
&end
#
# 90 ILE QG2 93 SER QB 6.14 (#peak 3132)
&rst
ixpk= 3132, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1=1338,1339,1340,
igr2=1372,1373,
&end
#
# 91 ALA HN 91 ALA QB 3.67 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1355,1356,1357,
&end
#
# 91 ALA HA 113 LEU QD2 4.82 (#peak 4360)
&rst
ixpk= 4360, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1656,1657,1658,
&end
#
# 91 ALA HA 93 SER HN 4.92 (#peak 2715)
&rst
ixpk= 2715, nxpk= 0, iat=1353,1368, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 91 ALA QB 92 GLY HN 4.22 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1355,1356,1357,
&end
#
# 92 GLY HN 93 SER HN 6.14 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat=1361,1368, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 92 GLY HA2 113 LEU QD2 5.39 (#peak 3336)
&rst
ixpk= 3336, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1656,1657,1658,
&end
#
# 93 SER HN 93 SER QB 3.81 (#peak 1566)
&rst
ixpk= 1566, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1372,1373,
&end
#
# 93 SER HA 93 SER QB 2.90 (#peak 1567)
&rst
ixpk= 1567, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1372,1373,
&end
#
# 93 SER QB 94 ILE HN 3.31 (#peak 1571)
&rst
ixpk= 1571, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1372,1373,
&end
#
# 94 ILE HN 94 ILE HB 3.48 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat=1379,1383, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 94 ILE HN 94 ILE QD1 3.78 (#peak 1835)
&rst
ixpk= 1835, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1392,1393,1394,
&end
#
# 94 ILE HN 94 ILE QG1 3.55 (#peak 2419)
&rst
ixpk= 2419, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1389,1390,
&end
#
# 94 ILE HN 94 ILE QG2 4.10 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1385,1386,1387,
&end
#
# 94 ILE HA 94 ILE QD1 3.17 (#peak 1831)
&rst
ixpk= 1831, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1392,1393,1394,
&end
#
# 94 ILE HA 94 ILE QG1 3.49 (#peak 2414)
&rst
ixpk= 2414, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1389,1390,
&end
#
# 94 ILE HA 94 ILE QG2 2.82 (#peak 930)
&rst
ixpk= 930, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1385,1386,1387,
&end
#
# 94 ILE HA 95 ASN HN 3.51 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat=1381,1398, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 94 ILE HB 94 ILE QD1 3.54 (#peak 1830)
&rst
ixpk= 1830, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1392,1393,1394,
&end
#
# 94 ILE HB 94 ILE QG1 2.72 (#peak 2412)
&rst
ixpk= 2412, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1389,1390,
&end
#
# 94 ILE HB 95 ASN HN 4.42 (#peak 753)
&rst
ixpk= 753, nxpk= 0, iat=1383,1398, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 94 ILE QG1 95 ASN HN 5.80 (#peak 2413)
&rst
ixpk= 2413, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1389,1390,
&end
#
# 94 ILE QG2 94 ILE QD1 2.40 (#peak 1829)
&rst
ixpk= 1829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1385,1386,1387,
igr2=1392,1393,1394,
&end
#
# 94 ILE QG2 94 ILE QG1 2.40 (#peak 2411)
&rst
ixpk= 2411, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1385,1386,1387,
igr2=1389,1390,
&end
#
# 94 ILE QG2 95 ASN HN 3.12 (#peak 241)
&rst
ixpk= 241, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1385,1386,1387,
&end
#
# 95 ASN HN 95 ASN HB2 3.66 (#peak 3557)
&rst
ixpk= 3557, nxpk= 0, iat=1398,1402, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 95 ASN HN 95 ASN HB3 3.78 (#peak 2620)
&rst
ixpk= 2620, nxpk= 0, iat=1398,1403, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 95 ASN HN 95 ASN HD21 6.15 (#peak 1510)
&rst
ixpk= 1510, nxpk= 0, iat=1398,1407, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HN 95 ASN HD22 6.15 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat=1398,1408, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HN 96 GLN HN 6.15 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat=1398,1412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HA 95 ASN HB2 2.99 (#peak 3102)
&rst
ixpk= 3102, nxpk= 0, iat=1400,1402, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 95 ASN HA 95 ASN HD21 5.10 (#peak 3103)
&rst
ixpk= 3103, nxpk= 0, iat=1400,1407, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 95 ASN HA 95 ASN HD22 6.15 (#peak 3096)
&rst
ixpk= 3096, nxpk= 0, iat=1400,1408, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HB2 95 ASN HD21 3.86 (#peak 3567)
&rst
ixpk= 3567, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 95 ASN HB2 96 GLN HN 4.68 (#peak 3560)
&rst
ixpk= 3560, nxpk= 0, iat=1402,1412, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 95 ASN HB3 95 ASN HD21 3.97 (#peak 2628)
&rst
ixpk= 2628, nxpk= 0, iat=1403,1407, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 95 ASN HD21 100 LEU HN 6.15 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat=1407,1461, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HD21 96 GLN HN 6.15 (#peak 1513)
&rst
ixpk= 1513, nxpk= 0, iat=1407,1412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HD21 99 SER HA 5.03 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat=1407,1452, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 95 ASN HD22 100 LEU HN 6.15 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat=1408,1461, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HD22 100 LEU HG 4.95 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat=1408,1468, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 95 ASN HD22 96 GLN HN 6.15 (#peak 867)
&rst
ixpk= 867, nxpk= 0, iat=1408,1412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HD22 98 GLY HN 6.15 (#peak 805)
&rst
ixpk= 805, nxpk= 0, iat=1408,1443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 95 ASN HD22 99 SER HA 4.84 (#peak 122)
&rst
ixpk= 122, nxpk= 0, iat=1408,1452, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 96 GLN HN 96 GLN HE21 6.15 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat=1412,1424, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 96 GLN HN 96 GLN HE22 6.15 (#peak 875)
&rst
ixpk= 875, nxpk= 0, iat=1412,1425, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 96 GLN HN 96 GLN QB 3.99 (#peak 2056)
&rst
ixpk= 2056, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1416,1417,
&end
#
# 96 GLN HN 96 GLN QG 4.65 (#peak 3776)
&rst
ixpk= 3776, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1419,1420,
&end
#
# 96 GLN HN 97 ASN HN 6.15 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat=1412,1429, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 96 GLN HA 96 GLN HE21 4.63 (#peak 3374)
&rst
ixpk= 3374, nxpk= 0, iat=1414,1424, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 96 GLN HA 96 GLN HE22 4.03 (#peak 3378)
&rst
ixpk= 3378, nxpk= 0, iat=1414,1425, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 96 GLN HA 96 GLN QB 2.83 (#peak 3375)
&rst
ixpk= 3375, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1416,1417,
&end
#
# 96 GLN HA 96 GLN QG 3.03 (#peak 3381)
&rst
ixpk= 3381, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1419,1420,
&end
#
# 96 GLN QB 96 GLN HE21 4.98 (#peak 2052)
&rst
ixpk= 2052, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1416,1417,
&end
#
# 96 GLN QB 96 GLN HE22 4.78 (#peak 2058)
&rst
ixpk= 2058, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1416,1417,
&end
#
# 96 GLN QB 96 GLN QG 2.40 (#peak 3774)
&rst
ixpk= 3774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1416,1417,
igr2=1419,1420,
&end
#
# 96 GLN QB 97 ASN HN 4.53 (#peak 2051)
&rst
ixpk= 2051, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1416,1417,
&end
#
# 96 GLN QB 97 ASN HB3 5.42 (#peak 2059)
&rst
ixpk= 2059, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1416,1417,
&end
#
# 96 GLN QB 98 GLY HN 6.15 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1416,1417,
&end
#
# 96 GLN QG 97 ASN HN 4.00 (#peak 3772)
&rst
ixpk= 3772, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1419,1420,
&end
#
# 96 GLN QG 98 GLY HN 6.15 (#peak 3775)
&rst
ixpk= 3775, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1419,1420,
&end
#
# 97 ASN HN 97 ASN HB3 4.13 (#peak 3266)
&rst
ixpk= 3266, nxpk= 0, iat=1429,1434, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 97 ASN HN 97 ASN HD22 6.15 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat=1429,1439, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 97 ASN HN 98 GLY HN 5.62 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat=1429,1443, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 97 ASN HN 98 GLY HA3 5.42 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat=1429,1446, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 97 ASN HA 97 ASN HB2 2.70 (#peak 2705)
&rst
ixpk= 2705, nxpk= 0, iat=1431,1433, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 97 ASN HA 97 ASN HD21 4.60 (#peak 444)
&rst
ixpk= 444, nxpk= 0, iat=1431,1438, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 97 ASN HA 97 ASN HD22 4.86 (#peak 2704)
&rst
ixpk= 2704, nxpk= 0, iat=1431,1439, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 97 ASN HB2 98 GLY HN 5.02 (#peak 1514)
&rst
ixpk= 1514, nxpk= 0, iat=1433,1443, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 97 ASN HB3 97 ASN HD21 3.80 (#peak 3265)
&rst
ixpk= 3265, nxpk= 0, iat=1434,1438, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 97 ASN HB3 98 GLY HN 6.15 (#peak 3271)
&rst
ixpk= 3271, nxpk= 0, iat=1434,1443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 97 ASN HD21 98 GLY HN 6.15 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat=1438,1443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 97 ASN HD21 98 GLY HA3 5.41 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat=1438,1446, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 97 ASN HD22 98 GLY HN 6.15 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat=1439,1443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 98 GLY HN 99 SER HN 6.15 (#peak 900)
&rst
ixpk= 900, nxpk= 0, iat=1443,1450, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 99 SER HN 100 LEU HN 5.30 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat=1450,1461, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 99 SER HA 100 LEU HN 3.37 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat=1452,1461, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 99 SER HA 99 SER QB 2.66 (#peak 2086)
&rst
ixpk= 2086, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1454,1455,
&end
#
# 99 SER QB 100 LEU HN 4.85 (#peak 2087)
&rst
ixpk= 2087, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1454,1455,
&end
#
# 100 LEU HN 100 LEU HB2 3.99 (#peak 2311)
&rst
ixpk= 2311, nxpk= 0, iat=1461,1465, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 100 LEU HN 100 LEU HG 4.82 (#peak 1726)
&rst
ixpk= 1726, nxpk= 0, iat=1461,1468, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 100 LEU HN 100 LEU QD1 4.93 (#peak 3469)
&rst
ixpk= 3469, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1470,1471,1472,
&end
#
# 100 LEU HN 100 LEU QD2 4.68 (#peak 1299)
&rst
ixpk= 1299, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1474,1475,1476,
&end
#
# 100 LEU HA 100 LEU HG 3.94 (#peak 1730)
&rst
ixpk= 1730, nxpk= 0, iat=1463,1468, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 100 LEU HA 100 LEU QD1 4.42 (#peak 2176)
&rst
ixpk= 2176, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1470,1471,1472,
&end
#
# 100 LEU HA 100 LEU QD2 4.11 (#peak 2170)
&rst
ixpk= 2170, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1474,1475,1476,
&end
#
# 100 LEU HA 101 LEU HN 3.18 (#peak 2175)
&rst
ixpk= 2175, nxpk= 0, iat=1463,1480, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 100 LEU HB2 100 LEU QD1 2.59 (#peak 3478)
&rst
ixpk= 3478, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1470,1471,1472,
&end
#
# 100 LEU HB2 100 LEU QD2 3.60 (#peak 2312)
&rst
ixpk= 2312, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1474,1475,1476,
&end
#
# 100 LEU HB2 101 LEU HN 4.25 (#peak 2317)
&rst
ixpk= 2317, nxpk= 0, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 100 LEU HB3 100 LEU QD2 3.32 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1474,1475,1476,
&end
#
# 100 LEU HB3 101 LEU HN 4.16 (#peak 177)
&rst
ixpk= 177, nxpk= 0, iat=1466,1480, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 100 LEU HB3 102 ILE QD1 4.54 (#peak 2319)
&rst
ixpk= 2319, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1512,1513,1514,
&end
#
# 100 LEU HG 101 LEU HN 5.15 (#peak 1732)
&rst
ixpk= 1732, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 100 LEU QD2 101 LEU HN 4.23 (#peak 1306)
&rst
ixpk= 1306, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1474,1475,1476,
&end
#
# 101 LEU HN 101 LEU HB3 4.19 (#peak 2634)
&rst
ixpk= 2634, nxpk= 0, iat=1480,1485, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 101 LEU HN 101 LEU HG 4.82 (#peak 1083)
&rst
ixpk= 1083, nxpk= 0, iat=1480,1487, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 101 LEU HN 101 LEU QD1 5.05 (#peak 2073)
&rst
ixpk= 2073, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1489,1490,1491,
&end
#
# 101 LEU HN 101 LEU QD2 5.02 (#peak 3790)
&rst
ixpk= 3790, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1493,1494,1495,
&end
#
# 101 LEU HN 102 ILE HN 6.15 (#peak 1332)
&rst
ixpk= 1332, nxpk= 0, iat=1480,1499, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 101 LEU HN 102 ILE QG1 4.89 (#peak 3815)
&rst
ixpk= 3815, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1509,1510,
&end
#
# 101 LEU HA 101 LEU HG 3.79 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat=1482,1487, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 101 LEU HA 101 LEU QD1 5.10 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1489,1490,1491,
&end
#
# 101 LEU HA 101 LEU QD2 4.08 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1493,1494,1495,
&end
#
# 101 LEU HA 102 ILE HN 3.17 (#peak 959)
&rst
ixpk= 959, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 101 LEU HA 102 ILE QG1 5.39 (#peak 3811)
&rst
ixpk= 3811, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1509,1510,
&end
#
# 101 LEU HB2 101 LEU QD2 3.86 (#peak 3787)
&rst
ixpk= 3787, nxpk= 0, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1493,1494,1495,
&end
#
# 101 LEU HB3 102 ILE HN 5.89 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat=1485,1499, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 101 LEU QD2 102 ILE HN 5.66 (#peak 3791)
&rst
ixpk= 3791, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1493,1494,1495,
&end
#
# 102 ILE HN 102 ILE HB 3.83 (#peak 2889)
&rst
ixpk= 2889, nxpk= 0, iat=1499,1503, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 102 ILE HN 102 ILE QD1 4.33 (#peak 2325)
&rst
ixpk= 2325, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1512,1513,1514,
&end
#
# 102 ILE HN 102 ILE QG1 3.71 (#peak 3820)
&rst
ixpk= 3820, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1509,1510,
&end
#
# 102 ILE HN 102 ILE QG2 4.50 (#peak 687)
&rst
ixpk= 687, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1505,1506,1507,
&end
#
# 102 ILE HA 102 ILE QD1 4.06 (#peak 2731)
&rst
ixpk= 2731, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1512,1513,1514,
&end
#
# 102 ILE HA 102 ILE QG1 4.00 (#peak 2737)
&rst
ixpk= 2737, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1509,1510,
&end
#
# 102 ILE HA 102 ILE QG2 2.54 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1505,1506,1507,
&end
#
# 102 ILE HB 102 ILE QD1 3.23 (#peak 2324)
&rst
ixpk= 2324, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1512,1513,1514,
&end
#
# 102 ILE HB 102 ILE QG1 2.67 (#peak 3816)
&rst
ixpk= 3816, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1509,1510,
&end
#
# 102 ILE HB 103 CYS HN 5.40 (#peak 2888)
&rst
ixpk= 2888, nxpk= 0, iat=1503,1518, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 102 ILE QG1 103 CYS HN 5.66 (#peak 3819)
&rst
ixpk= 3819, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1509,1510,
&end
#
# 102 ILE QG2 102 ILE QD1 3.47 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1505,1506,1507,
igr2=1512,1513,1514,
&end
#
# 102 ILE QG2 102 ILE QG1 2.40 (#peak 3810)
&rst
ixpk= 3810, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1505,1506,1507,
igr2=1509,1510,
&end
#
# 102 ILE QG2 103 CYS HN 4.56 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1505,1506,1507,
&end
#
# 103 CYS HN 103 CYS HB2 3.83 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat=1518,1522, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 103 CYS HN 103 CYS HB3 3.90 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat=1518,1523, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 103 CYS HN 104 ALA HN 4.84 (#peak 1361)
&rst
ixpk= 1361, nxpk= 0, iat=1518,1529, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 103 CYS HB2 104 ALA HN 4.74 (#peak 1741)
&rst
ixpk= 1741, nxpk= 0, iat=1522,1529, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 103 CYS HB3 104 ALA HN 4.90 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat=1523,1529, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 104 ALA HN 104 ALA QB 3.24 (#peak 3486)
&rst
ixpk= 3486, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1533,1534,1535,
&end
#
# 104 ALA HA 105 THR HN 3.29 (#peak 3220)
&rst
ixpk= 3220, nxpk= 0, iat=1531,1539, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 104 ALA QB 106 HIS HN 4.36 (#peak 3489)
&rst
ixpk= 3489, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1533,1534,1535,
&end
#
# 105 THR HN 105 THR QG2 4.20 (#peak 4242)
&rst
ixpk= 4242, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1545,1546,1547,
&end
#
# 105 THR HN 106 HIS HN 6.13 (#peak 1644)
&rst
ixpk= 1644, nxpk= 0, iat=1539,1553, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 105 THR HA 105 THR QG2 4.06 (#peak 4240)
&rst
ixpk= 4240, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1545,1546,1547,
&end
#
# 105 THR HB 106 HIS HN 4.85 (#peak 3075)
&rst
ixpk= 3075, nxpk= 0, iat=1543,1553, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 105 THR QG2 106 HIS HN 4.79 (#peak 4241)
&rst
ixpk= 4241, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1545,1546,1547,
&end
#
# 106 HIS HN 107 VAL QG1 6.15 (#peak 2585)
&rst
ixpk= 2585, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1576,1577,1578,
&end
#
# 106 HIS HN 107 VAL QG2 6.15 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1580,1581,1582,
&end
#
# 106 HIS HA 106 HIS HD2 6.15 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat=1555,1566, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 106 HIS HB2 111 THR HN 6.15 (#peak 1825)
&rst
ixpk= 1825, nxpk= 0, iat=1557,1615, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 106 HIS HB2 111 THR HA 6.15 (#peak 4208)
&rst
ixpk= 4208, nxpk= 0, iat=1557,1617, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 106 HIS HB3 110 ASP HB3 4.41 (#peak 4228)
&rst
ixpk= 4228, nxpk= 0, iat=1558,1608, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 106 HIS HB3 111 THR HN 6.15 (#peak 1828)
&rst
ixpk= 1828, nxpk= 0, iat=1558,1615, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 106 HIS HB3 111 THR HA 5.51 (#peak 4209)
&rst
ixpk= 4209, nxpk= 0, iat=1558,1617, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 106 HIS HD2 110 ASP HA 5.55 (#peak 4227)
&rst
ixpk= 4227, nxpk= 0, iat=1566,1605, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 107 VAL HN 107 VAL QG1 4.36 (#peak 2582)
&rst
ixpk= 2582, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1576,1577,1578,
&end
#
# 107 VAL HN 107 VAL QG2 4.44 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1580,1581,1582,
&end
#
# 107 VAL HN 108 GLY HN 4.67 (#peak 1215)
&rst
ixpk= 1215, nxpk= 0, iat=1570,1586, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 107 VAL HN 109 ALA HN 6.15 (#peak 1824)
&rst
ixpk= 1824, nxpk= 0, iat=1570,1593, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 VAL HN 110 ASP HN 6.15 (#peak 1823)
&rst
ixpk= 1823, nxpk= 0, iat=1570,1603, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 VAL HN 110 ASP HB2 4.27 (#peak 2043)
&rst
ixpk= 2043, nxpk= 0, iat=1570,1607, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 107 VAL HN 110 ASP HB3 3.80 (#peak 3763)
&rst
ixpk= 3763, nxpk= 0, iat=1570,1608, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 107 VAL HN 111 THR HN 6.15 (#peak 1822)
&rst
ixpk= 1822, nxpk= 0, iat=1570,1615, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 VAL HA 107 VAL QG1 3.99 (#peak 2579)
&rst
ixpk= 2579, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1576,1577,1578,
&end
#
# 107 VAL HA 107 VAL QG2 4.06 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1580,1581,1582,
&end
#
# 107 VAL HA 109 ALA HN 4.80 (#peak 504)
&rst
ixpk= 504, nxpk= 0, iat=1572,1593, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 107 VAL HA 110 ASP HB3 6.15 (#peak 4260)
&rst
ixpk= 4260, nxpk= 0, iat=1572,1608, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 VAL HB 108 GLY HN 4.69 (#peak 3797)
&rst
ixpk= 3797, nxpk= 0, iat=1574,1586, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 107 VAL QG1 108 GLY HN 3.59 (#peak 2584)
&rst
ixpk= 2584, nxpk= 0, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1576,1577,1578,
&end
#
# 107 VAL QG1 108 GLY HA3 5.73 (#peak 2581)
&rst
ixpk= 2581, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1576,1577,1578,
&end
#
# 107 VAL QG2 108 GLY HN 4.17 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1580,1581,1582,
&end
#
# 107 VAL QG2 108 GLY HA2 5.51 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1580,1581,1582,
&end
#
# 107 VAL QG2 108 GLY HA3 5.40 (#peak 1996)
&rst
ixpk= 1996, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1580,1581,1582,
&end
#
# 108 GLY HN 109 ALA HN 6.15 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat=1586,1593, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 108 GLY HN 109 ALA HA 6.14 (#peak 1339)
&rst
ixpk= 1339, nxpk= 0, iat=1586,1595, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 108 GLY HN 110 ASP HN 6.15 (#peak 1035)
&rst
ixpk= 1035, nxpk= 0, iat=1586,1603, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 108 GLY HN 111 THR QG2 5.14 (#peak 2299)
&rst
ixpk= 2299, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1621,1622,1623,
&end
#
# 108 GLY HA2 110 ASP HN 4.92 (#peak 3723)
&rst
ixpk= 3723, nxpk= 0, iat=1588,1603, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 108 GLY HA2 111 THR HN 4.85 (#peak 3720)
&rst
ixpk= 3720, nxpk= 0, iat=1588,1615, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 108 GLY HA3 110 ASP HN 5.27 (#peak 2001)
&rst
ixpk= 2001, nxpk= 0, iat=1589,1603, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 108 GLY HA3 111 THR HN 6.15 (#peak 1776)
&rst
ixpk= 1776, nxpk= 0, iat=1589,1615, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 108 GLY HA3 111 THR HB 6.15 (#peak 1997)
&rst
ixpk= 1997, nxpk= 0, iat=1589,1619, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 109 ALA HN 109 ALA QB 3.82 (#peak 3233)
&rst
ixpk= 3233, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1597,1598,1599,
&end
#
# 109 ALA HN 110 ASP HN 6.15 (#peak 1030)
&rst
ixpk= 1030, nxpk= 0, iat=1593,1603, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 109 ALA QB 110 ASP HN 2.93 (#peak 3234)
&rst
ixpk= 3234, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=1597,1598,1599,
&end
#
# 110 ASP HN 110 ASP HB2 4.20 (#peak 2044)
&rst
ixpk= 2044, nxpk= 0, iat=1603,1607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 110 ASP HN 110 ASP HB3 3.41 (#peak 3764)
&rst
ixpk= 3764, nxpk= 0, iat=1603,1608, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 110 ASP HN 111 THR HN 6.00 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat=1603,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 ASP HB2 111 THR HN 4.47 (#peak 2040)
&rst
ixpk= 2040, nxpk= 0, iat=1607,1615, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 110 ASP HB3 111 THR HN 3.92 (#peak 3760)
&rst
ixpk= 3760, nxpk= 0, iat=1608,1615, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 111 THR HN 111 THR QG2 3.04 (#peak 2293)
&rst
ixpk= 2293, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1621,1622,1623,
&end
#
# 111 THR HN 114 SER HN 6.15 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat=1615,1662, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 111 THR HN 114 SER QB 6.15 (#peak 1468)
&rst
ixpk= 1468, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1666,1667,
&end
#
# 111 THR HA 111 THR QG2 3.68 (#peak 2294)
&rst
ixpk= 2294, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1621,1622,1623,
&end
#
# 111 THR HA 114 SER HN 6.15 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat=1617,1662, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 111 THR HB 114 SER HN 5.23 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat=1619,1662, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 111 THR HB 115 GLN HN 6.15 (#peak 1130)
&rst
ixpk= 1130, nxpk= 0, iat=1619,1673, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 111 THR QG2 114 SER HN 5.71 (#peak 2295)
&rst
ixpk= 2295, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1621,1622,1623,
&end
#
# 112 THR HA 115 GLN HN 3.89 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat=1631,1673, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 112 THR HA 115 GLN HB3 4.14 (#peak 4204)
&rst
ixpk= 4204, nxpk= 0, iat=1631,1678, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 112 THR HB 113 LEU HN 4.64 (#peak 991)
&rst
ixpk= 991, nxpk= 0, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 112 THR QG2 113 LEU HN 4.03 (#peak 2470)
&rst
ixpk= 2470, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1635,1636,1637,
&end
#
# 112 THR QG2 114 SER HN 6.15 (#peak 1756)
&rst
ixpk= 1756, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1635,1636,1637,
&end
#
# 112 THR QG2 116 ILE QD1 3.98 (#peak 3013)
&rst
ixpk= 3013, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1635,1636,1637,
igr2=1703,1704,1705,
&end
#
# 113 LEU HN 113 LEU HG 4.64 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat=1643,1650, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 113 LEU HN 113 LEU QD1 4.42 (#peak 1606)
&rst
ixpk= 1606, nxpk= 0, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1652,1653,1654,
&end
#
# 113 LEU HN 113 LEU QD2 4.82 (#peak 3344)
&rst
ixpk= 3344, nxpk= 0, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1656,1657,1658,
&end
#
# 113 LEU HN 114 SER HN 4.41 (#peak 1429)
&rst
ixpk= 1429, nxpk= 0, iat=1643,1662, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 113 LEU HA 113 LEU QD1 3.94 (#peak 1604)
&rst
ixpk= 1604, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1652,1653,1654,
&end
#
# 113 LEU HA 113 LEU QD2 4.85 (#peak 3149)
&rst
ixpk= 3149, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1656,1657,1658,
&end
#
# 113 LEU HA 116 ILE HB 3.68 (#peak 1680)
&rst
ixpk= 1680, nxpk= 0, iat=1645,1694, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 113 LEU HA 116 ILE QD1 2.40 (#peak 3147)
&rst
ixpk= 3147, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1703,1704,1705,
&end
#
# 113 LEU HG 114 SER HN 5.65 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat=1650,1662, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 113 LEU QB 113 LEU QD1 2.40 (#peak 1602)
&rst
ixpk= 1602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1647,1648,
igr2=1652,1653,1654,
&end
#
# 113 LEU QB 113 LEU QD2 2.40 (#peak 3340)
&rst
ixpk= 3340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1647,1648,
igr2=1656,1657,1658,
&end
#
# 113 LEU QB 114 SER HN 5.10 (#peak 1887)
&rst
ixpk= 1887, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1647,1648,
&end
#
# 113 LEU QD1 114 SER HN 5.12 (#peak 1599)
&rst
ixpk= 1599, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1652,1653,1654,
&end
#
# 113 LEU QD1 115 GLN HN 6.15 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1652,1653,1654,
&end
#
# 113 LEU QD2 114 SER HN 4.75 (#peak 3338)
&rst
ixpk= 3338, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1656,1657,1658,
&end
#
# 113 LEU QD2 115 GLN HN 6.15 (#peak 3341)
&rst
ixpk= 3341, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1656,1657,1658,
&end
#
# 114 SER HN 114 SER QB 2.69 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2=1666,1667,
&end
#
# 114 SER HN 115 GLN HN 4.21 (#peak 1134)
&rst
ixpk= 1134, nxpk= 0, iat=1662,1673, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 114 SER HN 116 ILE HN 4.36 (#peak 648)
&rst
ixpk= 648, nxpk= 0, iat=1662,1690, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 114 SER HN 116 ILE HG13 5.94 (#peak 2779)
&rst
ixpk= 2779, nxpk= 0, iat=1662,1701, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 114 SER HA 117 VAL HN 4.55 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat=1664,1709, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 114 SER HA 117 VAL QG2 3.25 (#peak 2540)
&rst
ixpk= 2540, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1719,1720,1721,
&end
#
# 114 SER QB 115 GLN HN 4.25 (#peak 1471)
&rst
ixpk= 1471, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1666,1667,
&end
#
# 115 GLN HN 115 GLN HB2 3.55 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat=1673,1677, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 115 GLN HN 115 GLN HB3 3.92 (#peak 2555)
&rst
ixpk= 2555, nxpk= 0, iat=1673,1678, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 115 GLN HN 115 GLN HE21 6.15 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat=1673,1685, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 115 GLN HN 115 GLN HG2 4.82 (#peak 3669)
&rst
ixpk= 3669, nxpk= 0, iat=1673,1680, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 115 GLN HN 115 GLN HG3 5.10 (#peak 1963)
&rst
ixpk= 1963, nxpk= 0, iat=1673,1681, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 115 GLN HN 116 ILE HG13 4.94 (#peak 2783)
&rst
ixpk= 2783, nxpk= 0, iat=1673,1701, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 115 GLN HN 118 LYS QD 6.15 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1735,1736,
&end
#
# 115 GLN HA 115 GLN HB2 2.64 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat=1675,1677, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 115 GLN HA 115 GLN HE21 4.34 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat=1675,1685, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 115 GLN HA 115 GLN HE22 6.05 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat=1675,1686, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 115 GLN HA 115 GLN HG2 3.82 (#peak 3663)
&rst
ixpk= 3663, nxpk= 0, iat=1675,1680, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 115 GLN HA 115 GLN HG3 3.59 (#peak 1957)
&rst
ixpk= 1957, nxpk= 0, iat=1675,1681, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 115 GLN HA 117 VAL HN 5.96 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat=1675,1709, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 115 GLN HA 118 LYS HN 4.42 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat=1675,1725, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 115 GLN HA 118 LYS HG3 4.17 (#peak 859)
&rst
ixpk= 859, nxpk= 0, iat=1675,1733, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 115 GLN HA 118 LYS QB 4.04 (#peak 1714)
&rst
ixpk= 1714, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1729,1730,
&end
#
# 115 GLN HA 118 LYS QD 4.45 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1735,1736,
&end
#
# 115 GLN HB2 115 GLN HE21 3.67 (#peak 367)
&rst
ixpk= 367, nxpk= 0, iat=1677,1685, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 115 GLN HB2 115 GLN HE22 4.68 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat=1677,1686, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 115 GLN HB2 116 ILE HN 4.96 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat=1677,1690, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 115 GLN HB3 115 GLN HE21 4.75 (#peak 2552)
&rst
ixpk= 2552, nxpk= 0, iat=1678,1685, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 115 GLN HB3 115 GLN HE22 5.51 (#peak 2550)
&rst
ixpk= 2550, nxpk= 0, iat=1678,1686, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 115 GLN HB3 115 GLN HG2 2.85 (#peak 3668)
&rst
ixpk= 3668, nxpk= 0, iat=1678,1680, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 115 GLN HB3 116 ILE HN 4.07 (#peak 2556)
&rst
ixpk= 2556, nxpk= 0, iat=1678,1690, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 115 GLN HG2 115 GLN HE21 3.65 (#peak 3667)
&rst
ixpk= 3667, nxpk= 0, iat=1680,1685, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 115 GLN HG2 116 ILE HN 4.73 (#peak 3670)
&rst
ixpk= 3670, nxpk= 0, iat=1680,1690, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 115 GLN HG3 116 ILE HN 4.88 (#peak 1964)
&rst
ixpk= 1964, nxpk= 0, iat=1681,1690, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 116 ILE HN 112 THR O 2.4
&rst
ixpk= 1964, nxpk= 0, iat=1690,1641, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 116 ILE HN 116 ILE HB 3.28 (#peak 1678)
&rst
ixpk= 1678, nxpk= 0, iat=1690,1694, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 116 ILE HN 116 ILE HG12 4.08 (#peak 3427)
&rst
ixpk= 3427, nxpk= 0, iat=1690,1700, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 116 ILE HN 116 ILE HG13 3.79 (#peak 2784)
&rst
ixpk= 2784, nxpk= 0, iat=1690,1701, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 116 ILE HN 116 ILE QD1 4.20 (#peak 3015)
&rst
ixpk= 3015, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1703,1704,1705,
&end
#
# 116 ILE HN 116 ILE QG2 4.69 (#peak 1239)
&rst
ixpk= 1239, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1696,1697,1698,
&end
#
# 116 ILE HN 117 VAL HN 5.80 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat=1690,1709, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 116 ILE HN 117 VAL QG2 6.07 (#peak 2544)
&rst
ixpk= 2544, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2=1719,1720,1721,
&end
#
# 116 ILE HN 118 LYS HG3 6.04 (#peak 866)
&rst
ixpk= 866, nxpk= 0, iat=1690,1733, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 116 ILE HA 116 ILE HG12 3.72 (#peak 3425)
&rst
ixpk= 3425, nxpk= 0, iat=1692,1700, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 116 ILE HA 116 ILE HG13 3.11 (#peak 2080)
&rst
ixpk= 2080, nxpk= 0, iat=1692,1701, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 116 ILE HA 116 ILE QD1 4.21 (#peak 2082)
&rst
ixpk= 2082, nxpk= 0, iat=1692, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1703,1704,1705,
&end
#
# 116 ILE HA 119 LEU HN 4.49 (#peak 2075)
&rst
ixpk= 2075, nxpk= 0, iat=1692,1747, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 116 ILE HA 119 LEU HB2 4.30 (#peak 3730)
&rst
ixpk= 3730, nxpk= 0, iat=1692,1751, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 116 ILE HA 119 LEU HB3 4.39 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat=1692,1752, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 116 ILE HB 116 ILE QD1 2.96 (#peak 1679)
&rst
ixpk= 1679, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1703,1704,1705,
&end
#
# 116 ILE HB 117 VAL HN 3.92 (#peak 1681)
&rst
ixpk= 1681, nxpk= 0, iat=1694,1709, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 116 ILE HG12 117 VAL HN 5.56 (#peak 3429)
&rst
ixpk= 3429, nxpk= 0, iat=1700,1709, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 116 ILE HG13 117 VAL HN 5.04 (#peak 2786)
&rst
ixpk= 2786, nxpk= 0, iat=1701,1709, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 116 ILE N 112 THR O 3.3
&rst
ixpk= 2786, nxpk= 0, iat=1689,1641, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 116 ILE QD1 117 VAL HN 5.07 (#peak 3018)
&rst
ixpk= 3018, nxpk= 0, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1703,1704,1705,
&end
#
# 116 ILE QG2 116 ILE HG12 2.92 (#peak 3423)
&rst
ixpk= 3423, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1696,1697,1698,
&end
#
# 116 ILE QG2 116 ILE HG13 3.80 (#peak 1238)
&rst
ixpk= 1238, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1696,1697,1698,
&end
#
# 116 ILE QG2 116 ILE QD1 2.40 (#peak 3010)
&rst
ixpk= 3010, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1696,1697,1698,
igr2=1703,1704,1705,
&end
#
# 116 ILE QG2 117 VAL HN 3.83 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1696,1697,1698,
&end
#
# 116 ILE QG2 117 VAL HA 3.33 (#peak 1232)
&rst
ixpk= 1232, nxpk= 0, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1696,1697,1698,
&end
#
# 116 ILE QG2 120 VAL HN 4.38 (#peak 1237)
&rst
ixpk= 1237, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1696,1697,1698,
&end
#
# 116 ILE QG2 120 VAL HB 4.42 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1696,1697,1698,
&end
#
# 117 VAL HN 117 VAL HB 3.90 (#peak 2027)
&rst
ixpk= 2027, nxpk= 0, iat=1709,1713, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 117 VAL HN 117 VAL QG1 3.94 (#peak 1356)
&rst
ixpk= 1356, nxpk= 0, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1715,1716,1717,
&end
#
# 117 VAL HN 117 VAL QG2 3.79 (#peak 2545)
&rst
ixpk= 2545, nxpk= 0, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1719,1720,1721,
&end
#
# 117 VAL HN 118 LYS HN 4.67 (#peak 1355)
&rst
ixpk= 1355, nxpk= 0, iat=1709,1725, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 117 VAL HN 118 LYS HG3 5.42 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat=1709,1733, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 117 VAL HN 119 LEU HN 6.10 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat=1709,1747, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 117 VAL HN 120 VAL HN 6.15 (#peak 1347)
&rst
ixpk= 1347, nxpk= 0, iat=1709,1766, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 VAL HA 117 VAL QG1 3.51 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1715,1716,1717,
&end
#
# 117 VAL HA 117 VAL QG2 3.86 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1719,1720,1721,
&end
#
# 117 VAL HA 119 LEU HN 5.77 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat=1711,1747, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 117 VAL HA 120 VAL HN 4.76 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat=1711,1766, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 117 VAL HA 120 VAL HB 3.84 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat=1711,1770, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 117 VAL HB 118 LYS HN 4.11 (#peak 2028)
&rst
ixpk= 2028, nxpk= 0, iat=1713,1725, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 117 VAL HB 118 LYS HG3 6.15 (#peak 2023)
&rst
ixpk= 2023, nxpk= 0, iat=1713,1733, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 VAL QG1 118 LYS HN 4.54 (#peak 3745)
&rst
ixpk= 3745, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1715,1716,1717,
&end
#
# 117 VAL QG2 118 LYS HN 5.12 (#peak 2546)
&rst
ixpk= 2546, nxpk= 0, iat= -1,1725, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1719,1720,1721,
&end
#
# 118 LYS HN 118 LYS HG2 4.44 (#peak 3063)
&rst
ixpk= 3063, nxpk= 0, iat=1725,1732, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 118 LYS HN 118 LYS HG3 4.10 (#peak 870)
&rst
ixpk= 870, nxpk= 0, iat=1725,1733, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 118 LYS HN 118 LYS QB 3.13 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1729,1730,
&end
#
# 118 LYS HN 118 LYS QD 6.06 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1735,1736,
&end
#
# 118 LYS HN 118 LYS QE 5.25 (#peak 3464)
&rst
ixpk= 3464, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1738,1739,
&end
#
# 118 LYS HN 119 LEU HN 4.11 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat=1725,1747, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 118 LYS HN 121 GLU HN 5.93 (#peak 1506)
&rst
ixpk= 1506, nxpk= 0, iat=1725,1782, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 118 LYS HA 118 LYS HG2 3.19 (#peak 1979)
&rst
ixpk= 1979, nxpk= 0, iat=1727,1732, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 118 LYS HA 118 LYS HG3 4.09 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat=1727,1733, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 118 LYS HA 118 LYS QB 2.49 (#peak 1977)
&rst
ixpk= 1977, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
igr2=1729,1730,
&end
#
# 118 LYS HA 118 LYS QD 4.21 (#peak 1284)
&rst
ixpk= 1284, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1735,1736,
&end
#
# 118 LYS HA 118 LYS QE 4.28 (#peak 3461)
&rst
ixpk= 3461, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1738,1739,
&end
#
# 118 LYS HA 121 GLU HN 4.60 (#peak 1982)
&rst
ixpk= 1982, nxpk= 0, iat=1727,1782, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 118 LYS HA 121 GLU HB2 3.94 (#peak 1980)
&rst
ixpk= 1980, nxpk= 0, iat=1727,1786, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 118 LYS HG2 118 LYS QD 2.81 (#peak 3058)
&rst
ixpk= 3058, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=1735,1736,
&end
#
# 118 LYS HG2 118 LYS QE 4.01 (#peak 3462)
&rst
ixpk= 3462, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1738,1739,
&end
#
# 118 LYS HG2 119 LEU HN 5.29 (#peak 3056)
&rst
ixpk= 3056, nxpk= 0, iat=1732,1747, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 118 LYS HG3 118 LYS QE 3.20 (#peak 869)
&rst
ixpk= 869, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1738,1739,
&end
#
# 118 LYS HG3 119 LEU HN 5.19 (#peak 860)
&rst
ixpk= 860, nxpk= 0, iat=1733,1747, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 118 LYS QB 118 LYS HG2 2.97 (#peak 1720)
&rst
ixpk= 1720, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1729,1730,
&end
#
# 118 LYS QB 118 LYS HG3 2.48 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr1=1729,1730,
&end
#
# 118 LYS QB 118 LYS QD 2.40 (#peak 1717)
&rst
ixpk= 1717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1729,1730,
igr2=1735,1736,
&end
#
# 118 LYS QB 118 LYS QE 3.20 (#peak 3460)
&rst
ixpk= 3460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1729,1730,
igr2=1738,1739,
&end
#
# 118 LYS QB 119 LEU HN 3.03 (#peak 1715)
&rst
ixpk= 1715, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1729,1730,
&end
#
# 118 LYS QB 121 GLU HN 6.15 (#peak 1722)
&rst
ixpk= 1722, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1729,1730,
&end
#
# 118 LYS QD 118 LYS QE 2.40 (#peak 3459)
&rst
ixpk= 3459, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1735,1736,
igr2=1738,1739,
&end
#
# 118 LYS QD 119 LEU HN 6.04 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1735,1736,
&end
#
# 119 LEU HN 119 LEU HB2 3.24 (#peak 3726)
&rst
ixpk= 3726, nxpk= 0, iat=1747,1751, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 119 LEU HN 119 LEU HB3 3.43 (#peak 1489)
&rst
ixpk= 1489, nxpk= 0, iat=1747,1752, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 119 LEU HN 119 LEU HG 4.89 (#peak 3241)
&rst
ixpk= 3241, nxpk= 0, iat=1747,1754, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 119 LEU HN 119 LEU QD1 4.85 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1756,1757,1758,
&end
#
# 119 LEU HN 119 LEU QD2 4.97 (#peak 2865)
&rst
ixpk= 2865, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1760,1761,1762,
&end
#
# 119 LEU HN 120 VAL HN 4.54 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat=1747,1766, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 119 LEU HN 121 GLU HN 6.15 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat=1747,1782, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 119 LEU HA 119 LEU HG 3.84 (#peak 3242)
&rst
ixpk= 3242, nxpk= 0, iat=1749,1754, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 119 LEU HA 119 LEU QD1 3.97 (#peak 1081)
&rst
ixpk= 1081, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1756,1757,1758,
&end
#
# 119 LEU HA 119 LEU QD2 2.40 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1760,1761,1762,
&end
#
# 119 LEU HA 122 GLU HN 4.76 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat=1749,1797, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 119 LEU HA 122 GLU HB2 3.72 (#peak 2233)
&rst
ixpk= 2233, nxpk= 0, iat=1749,1801, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 119 LEU HA 123 ALA HN 6.01 (#peak 844)
&rst
ixpk= 844, nxpk= 0, iat=1749,1812, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 119 LEU HB2 119 LEU HG 2.40 (#peak 3248)
&rst
ixpk= 3248, nxpk= 0, iat=1751,1754, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 119 LEU HB2 119 LEU QD1 3.91 (#peak 3728)
&rst
ixpk= 3728, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1756,1757,1758,
&end
#
# 119 LEU HB2 119 LEU QD2 3.53 (#peak 3732)
&rst
ixpk= 3732, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1760,1761,1762,
&end
#
# 119 LEU HB2 120 VAL HN 4.03 (#peak 3731)
&rst
ixpk= 3731, nxpk= 0, iat=1751,1766, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 119 LEU HB3 119 LEU QD1 3.85 (#peak 1491)
&rst
ixpk= 1491, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1756,1757,1758,
&end
#
# 119 LEU HB3 119 LEU QD2 2.40 (#peak 1495)
&rst
ixpk= 1495, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1760,1761,1762,
&end
#
# 119 LEU HB3 120 VAL HN 3.74 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat=1752,1766, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 119 LEU HG 120 VAL HN 5.97 (#peak 3245)
&rst
ixpk= 3245, nxpk= 0, iat=1754,1766, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 119 LEU QD2 122 GLU HN 6.15 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= -1,1797, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1760,1761,1762,
&end
#
# 119 LEU QD2 123 ALA QB 4.66 (#peak 2871)
&rst
ixpk= 2871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1760,1761,1762,
igr2=1816,1817,1818,
&end
#
# 120 VAL HN 120 VAL HB 3.27 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 120 VAL HN 120 VAL QQG 2.70 (#peak 3039)
&rst
ixpk= 3039, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1772,1773,1774,1776,1777,1778,
&end
#
# 120 VAL HN 121 GLU HN 5.51 (#peak 1499)
&rst
ixpk= 1499, nxpk= 0, iat=1766,1782, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 120 VAL HA 120 VAL QQG 2.58 (#peak 2948)
&rst
ixpk= 2948, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1772,1773,1774,1776,1777,1778,
&end
#
# 120 VAL HA 122 GLU HN 5.97 (#peak 2943)
&rst
ixpk= 2943, nxpk= 0, iat=1768,1797, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 120 VAL HA 123 ALA HN 3.75 (#peak 2945)
&rst
ixpk= 2945, nxpk= 0, iat=1768,1812, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 120 VAL HA 123 ALA QB 3.46 (#peak 2949)
&rst
ixpk= 2949, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1816,1817,1818,
&end
#
# 120 VAL HB 121 GLU HN 4.16 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat=1770,1782, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 120 VAL QQG 121 GLU HN 4.35 (#peak 3045)
&rst
ixpk= 3045, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1772,1773,1774,1776,1777,1778,
&end
#
# 120 VAL QQG 123 ALA QB 4.02 (#peak 3044)
&rst
ixpk= 3044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1772,1773,1774,1776,1777,1778,
igr2=1816,1817,1818,
&end
#
# 120 VAL QQG 124 GLN HN 4.67 (#peak 3040)
&rst
ixpk= 3040, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1772,1773,1774,1776,1777,1778,
&end
#
# 120 VAL QQG 124 GLN HE21 3.22 (#peak 3043)
&rst
ixpk= 3043, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1772,1773,1774,1776,1777,1778,
&end
#
# 120 VAL QQG 124 GLN HE22 4.07 (#peak 3046)
&rst
ixpk= 3046, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1772,1773,1774,1776,1777,1778,
&end
#
# 121 GLU HN 121 GLU HB2 3.23 (#peak 3263)
&rst
ixpk= 3263, nxpk= 0, iat=1782,1786, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 121 GLU HN 121 GLU HB3 3.86 (#peak 1508)
&rst
ixpk= 1508, nxpk= 0, iat=1782,1787, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 121 GLU HN 121 GLU QG 4.30 (#peak 1096)
&rst
ixpk= 1096, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1789,1790,
&end
#
# 121 GLU HN 122 GLU HN 6.15 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat=1782,1797, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 121 GLU HN 123 ALA QB 5.83 (#peak 3205)
&rst
ixpk= 3205, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1816,1817,1818,
&end
#
# 121 GLU HA 121 GLU QG 2.61 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2=1789,1790,
&end
#
# 121 GLU HA 123 ALA HN 4.66 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat=1784,1812, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 121 GLU HA 124 GLN HN 4.79 (#peak 158)
&rst
ixpk= 158, nxpk= 0, iat=1784,1822, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 121 GLU HA 124 GLN HB2 4.45 (#peak 1408)
&rst
ixpk= 1408, nxpk= 0, iat=1784,1826, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 121 GLU HB2 121 GLU QG 2.40 (#peak 3259)
&rst
ixpk= 3259, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1789,1790,
&end
#
# 121 GLU HB2 122 GLU HN 4.19 (#peak 3258)
&rst
ixpk= 3258, nxpk= 0, iat=1786,1797, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 121 GLU HB2 122 GLU HG2 5.46 (#peak 3661)
&rst
ixpk= 3661, nxpk= 0, iat=1786,1804, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 121 GLU HB3 122 GLU HN 5.84 (#peak 1504)
&rst
ixpk= 1504, nxpk= 0, iat=1787,1797, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 122 GLU HN 122 GLU HB2 3.48 (#peak 2232)
&rst
ixpk= 2232, nxpk= 0, iat=1797,1801, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 122 GLU HN 122 GLU HB3 4.08 (#peak 1950)
&rst
ixpk= 1950, nxpk= 0, iat=1797,1802, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 122 GLU HN 122 GLU HG2 3.37 (#peak 3656)
&rst
ixpk= 3656, nxpk= 0, iat=1797,1804, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 122 GLU HN 122 GLU HG3 3.40 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat=1797,1805, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 122 GLU HN 123 ALA HN 5.76 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat=1797,1812, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 122 GLU HN 123 ALA HA 5.59 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat=1797,1814, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 122 GLU HN 123 ALA QB 5.57 (#peak 3197)
&rst
ixpk= 3197, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1816,1817,1818,
&end
#
# 122 GLU HA 122 GLU HB3 2.83 (#peak 2278)
&rst
ixpk= 2278, nxpk= 0, iat=1799,1802, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 122 GLU HA 122 GLU HG2 3.24 (#peak 3660)
&rst
ixpk= 3660, nxpk= 0, iat=1799,1804, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 122 GLU HA 122 GLU HG3 3.87 (#peak 1465)
&rst
ixpk= 1465, nxpk= 0, iat=1799,1805, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 122 GLU HA 124 GLN HN 6.00 (#peak 2281)
&rst
ixpk= 2281, nxpk= 0, iat=1799,1822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLU HB2 123 ALA HN 4.22 (#peak 2235)
&rst
ixpk= 2235, nxpk= 0, iat=1801,1812, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 122 GLU HB3 123 ALA HN 4.44 (#peak 1952)
&rst
ixpk= 1952, nxpk= 0, iat=1802,1812, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 122 GLU HG3 123 ALA HN 5.26 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat=1805,1812, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 123 ALA HN 123 ALA QB 3.72 (#peak 3198)
&rst
ixpk= 3198, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1816,1817,1818,
&end
#
# 123 ALA HN 124 GLN HN 3.80 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat=1812,1822, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 123 ALA HN 124 GLN QG 5.43 (#peak 2820)
&rst
ixpk= 2820, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1829,1830,
&end
#
# 123 ALA QB 124 GLN HN 3.60 (#peak 3199)
&rst
ixpk= 3199, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1816,1817,1818,
&end
#
# 123 ALA QB 124 GLN QG 4.20 (#peak 3200)
&rst
ixpk= 3200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1816,1817,1818,
igr2=1829,1830,
&end
#
# 124 GLN HN 124 GLN HB2 3.74 (#peak 1410)
&rst
ixpk= 1410, nxpk= 0, iat=1822,1826, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 124 GLN HN 124 GLN HE21 3.03 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat=1822,1834, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 124 GLN HN 124 GLN HE22 6.15 (#peak 1534)
&rst
ixpk= 1534, nxpk= 0, iat=1822,1835, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 124 GLN HN 124 GLN QG 4.01 (#peak 2821)
&rst
ixpk= 2821, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1829,1830,
&end
#
# 124 GLN HA 124 GLN HE21 4.85 (#peak 2847)
&rst
ixpk= 2847, nxpk= 0, iat=1824,1834, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 124 GLN HA 124 GLN QG 3.68 (#peak 2823)
&rst
ixpk= 2823, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1829,1830,
&end
#
# 124 GLN HB2 124 GLN HE21 4.27 (#peak 1413)
&rst
ixpk= 1413, nxpk= 0, iat=1826,1834, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 124 GLN HB2 124 GLN HE22 6.15 (#peak 1533)
&rst
ixpk= 1533, nxpk= 0, iat=1826,1835, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 124 GLN HB2 124 GLN QG 2.62 (#peak 1411)
&rst
ixpk= 1411, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2=1829,1830,
&end
#
# 124 GLN HB3 124 GLN HE21 4.62 (#peak 3155)
&rst
ixpk= 3155, nxpk= 0, iat=1827,1834, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 124 GLN HB3 124 GLN HE22 4.86 (#peak 3157)
&rst
ixpk= 3157, nxpk= 0, iat=1827,1835, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 124 GLN HB3 124 GLN QG 2.40 (#peak 3153)
&rst
ixpk= 3153, nxpk= 0, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1829,1830,
&end
#
# 124 GLN QG 124 GLN HE21 3.26 (#peak 2824)
&rst
ixpk= 2824, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1829,1830,
&end
#
# 124 GLN QG 124 GLN HE22 3.66 (#peak 2827)
&rst
ixpk= 2827, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1829,1830,
&end
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