NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
498211 |
2l4o   |
17246 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 7 ALA HA 8 THR QG2 4.15 (#peak 2802)
&rst
ixpk= 2802, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr2= 97, 98, 99,
&end
#
# 7 ALA QB 8 THR HN 4.97 (#peak 1203)
&rst
ixpk= 1203, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 85, 86, 87,
&end
#
# 7 ALA QB 8 THR QG2 3.02 (#peak 3543)
&rst
ixpk= 3543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 85, 86, 87,
igr2= 97, 98, 99,
&end
#
# 7 ALA QB 9 VAL HN 5.62 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 85, 86, 87,
&end
#
# 8 THR HN 8 THR HB 4.13 (#peak 2484)
&rst
ixpk= 2484, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 8 THR HN 8 THR QG2 5.01 (#peak 4154)
&rst
ixpk= 4154, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 97, 98, 99,
&end
#
# 8 THR HA 8 THR HB 2.75 (#peak 2358)
&rst
ixpk= 2358, nxpk= 0, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 8 THR HA 9 VAL HN 3.04 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat= 93, 105, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 8 THR QG2 9 VAL HN 4.53 (#peak 4155)
&rst
ixpk= 4155, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 97, 98, 99,
&end
#
# 9 VAL HN 10 PHE HN 4.64 (#peak 382)
&rst
ixpk= 382, nxpk= 0, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 VAL HN 9 VAL HB 3.61 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 9 VAL HN 9 VAL QG2 3.85 (#peak 4315)
&rst
ixpk= 4315, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 115, 116, 117,
&end
#
# 9 VAL HA 10 PHE HN 3.02 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat= 107, 121, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 9 VAL HA 10 PHE QD 5.18 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 129, 137,
&end
#
# 9 VAL HA 9 VAL QG2 3.21 (#peak 4733)
&rst
ixpk= 4733, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 115, 116, 117,
&end
#
# 9 VAL HB 10 PHE HN 4.27 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 109, 121, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 9 VAL QG1 10 PHE HB2 5.75 (#peak 2849)
&rst
ixpk= 2849, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 111, 112, 113,
&end
#
# 9 VAL QG2 10 PHE HN 3.41 (#peak 4328)
&rst
ixpk= 4328, nxpk= 0, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 115, 116, 117,
&end
#
# 9 VAL QG2 11 ALA HN 5.51 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 115, 116, 117,
&end
#
# 9 VAL QG2 11 ALA QB 3.90 (#peak 3448)
&rst
ixpk= 3448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 115, 116, 117,
igr2= 145, 146, 147,
&end
#
# 10 PHE HN 10 PHE HB2 3.89 (#peak 386)
&rst
ixpk= 386, nxpk= 0, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 10 PHE HN 10 PHE HB3 3.92 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= 121, 126, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 10 PHE HN 10 PHE QD 4.59 (#peak 523)
&rst
ixpk= 523, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 129, 137,
&end
#
# 10 PHE HA 10 PHE QD 3.61 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 129, 137,
&end
#
# 10 PHE HA 11 ALA HN 2.87 (#peak 2046)
&rst
ixpk= 2046, nxpk= 0, iat= 123, 141, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 10 PHE HA 11 ALA HA 5.14 (#peak 1320)
&rst
ixpk= 1320, nxpk= 0, iat= 123, 143, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 PHE HB2 115 ASN HA 4.31 (#peak 4350)
&rst
ixpk= 4350, nxpk= 0, iat= 125,1658, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 PHE HB2 11 ALA HN 4.58 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= 125, 141, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 10 PHE HB2 11 ALA QB 5.27 (#peak 3939)
&rst
ixpk= 3939, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 145, 146, 147,
&end
#
# 10 PHE HB3 115 ASN HA 5.59 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat= 126,1658, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 10 PHE HB3 11 ALA HN 4.40 (#peak 2960)
&rst
ixpk= 2960, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 10 PHE HZ 76 ASN HB2 5.08 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat= 133,1091, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 10 PHE QD 115 ASN HA 4.68 (#peak 1909)
&rst
ixpk= 1909, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 129, 137,
&end
#
# 10 PHE QD 11 ALA HN 4.97 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 129, 137,
&end
#
# 10 PHE QD 11 ALA QB 5.08 (#peak 1100)
&rst
ixpk= 1100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 129, 137,
igr2= 145, 146, 147,
&end
#
# 10 PHE QE 115 ASN HA 4.37 (#peak 1938)
&rst
ixpk= 1938, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 131, 135,
&end
#
# 10 PHE QE 76 ASN HB2 5.90 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 131, 135,
&end
#
# 11 ALA HN 11 ALA QB 3.09 (#peak 146)
&rst
ixpk= 146, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 145, 146, 147,
&end
#
# 11 ALA QB 12 ALA HN 2.96 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 145, 146, 147,
&end
#
# 11 ALA QB 13 GLY HN 5.54 (#peak 3937)
&rst
ixpk= 3937, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 145, 146, 147,
&end
#
# 12 ALA HN 12 ALA HA 2.91 (#peak 413)
&rst
ixpk= 413, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 12 ALA HN 12 ALA QB 2.98 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 155, 156, 157,
&end
#
# 12 ALA HN 13 GLY HN 4.27 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= 151, 161, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 12 ALA HA 13 GLY HN 2.87 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= 153, 161, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 12 ALA QB 13 GLY HN 3.69 (#peak 1555)
&rst
ixpk= 1555, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 155, 156, 157,
&end
#
# 13 GLY HN 14 THR HN 4.41 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat= 161, 168, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 13 GLY HN 14 THR QG2 4.64 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 174, 175, 176,
&end
#
# 13 GLY HA2 14 THR HA 4.74 (#peak 1918)
&rst
ixpk= 1918, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 13 GLY HA2 14 THR QG2 4.57 (#peak 3276)
&rst
ixpk= 3276, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 174, 175, 176,
&end
#
# 13 GLY HA3 14 THR QG2 4.44 (#peak 3237)
&rst
ixpk= 3237, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 174, 175, 176,
&end
#
# 14 THR HN 14 THR QG2 3.94 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 174, 175, 176,
&end
#
# 14 THR HA 14 THR QG2 3.11 (#peak 1914)
&rst
ixpk= 1914, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 174, 175, 176,
&end
#
# 14 THR HA 15 THR HN 3.30 (#peak 4981)
&rst
ixpk= 4981, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 14 THR HA 15 THR HA 4.89 (#peak 4471)
&rst
ixpk= 4471, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 14 THR HA 15 THR QG2 3.98 (#peak 2608)
&rst
ixpk= 2608, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 188, 189, 190,
&end
#
# 14 THR HB 153 PRO HD2 4.60 (#peak 2265)
&rst
ixpk= 2265, nxpk= 0, iat= 172,2237, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 THR HB 153 PRO HD3 4.80 (#peak 2297)
&rst
ixpk= 2297, nxpk= 0, iat= 172,2238, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 THR HB 153 PRO HG2 4.26 (#peak 2260)
&rst
ixpk= 2260, nxpk= 0, iat= 172,2240, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 14 THR HB 154 LEU HB2 5.90 (#peak 5390)
&rst
ixpk= 5390, nxpk= 0, iat= 172,2254, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 14 THR HB 15 THR HN 3.57 (#peak 2257)
&rst
ixpk= 2257, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 14 THR HB 16 THR HN 4.39 (#peak 793)
&rst
ixpk= 793, nxpk= 0, iat= 172, 196, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 14 THR QG2 118 ALA HA 4.80 (#peak 986)
&rst
ixpk= 986, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 118 ALA QB 4.11 (#peak 3260)
&rst
ixpk= 3260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 174, 175, 176,
igr2=1707,1708,1709,
&end
#
# 14 THR QG2 153 PRO HA 4.93 (#peak 4525)
&rst
ixpk= 4525, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 153 PRO HB3 5.13 (#peak 5373)
&rst
ixpk= 5373, nxpk= 0, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 153 PRO HD2 3.68 (#peak 1915)
&rst
ixpk= 1915, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 153 PRO HD3 3.87 (#peak 3282)
&rst
ixpk= 3282, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 153 PRO HG2 3.05 (#peak 4093)
&rst
ixpk= 4093, nxpk= 0, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 153 PRO HG3 3.98 (#peak 4086)
&rst
ixpk= 4086, nxpk= 0, iat= -1,2241, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 174, 175, 176,
&end
#
# 14 THR QG2 15 THR HN 3.94 (#peak 3253)
&rst
ixpk= 3253, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 174, 175, 176,
&end
#
# 15 THR HN 153 PRO HB2 4.26 (#peak 3261)
&rst
ixpk= 3261, nxpk= 0, iat= 182,2243, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 15 THR HN 153 PRO HB3 4.72 (#peak 1532)
&rst
ixpk= 1532, nxpk= 0, iat= 182,2244, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 15 THR HN 153 PRO HD2 4.97 (#peak 1941)
&rst
ixpk= 1941, nxpk= 0, iat= 182,2237, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 15 THR HN 153 PRO HD3 5.72 (#peak 1922)
&rst
ixpk= 1922, nxpk= 0, iat= 182,2238, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 15 THR HN 153 PRO HG3 5.28 (#peak 1533)
&rst
ixpk= 1533, nxpk= 0, iat= 182,2241, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 15 THR HN 15 THR HB 4.04 (#peak 2935)
&rst
ixpk= 2935, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 15 THR HN 15 THR QG2 3.18 (#peak 2598)
&rst
ixpk= 2598, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 188, 189, 190,
&end
#
# 15 THR HN 16 THR HN 4.14 (#peak 1526)
&rst
ixpk= 1526, nxpk= 0, iat= 182, 196, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 15 THR HA 15 THR HB 2.98 (#peak 2496)
&rst
ixpk= 2496, nxpk= 0, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 15 THR HA 15 THR QG2 3.13 (#peak 4494)
&rst
ixpk= 4494, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 188, 189, 190,
&end
#
# 15 THR HA 16 THR HA 5.90 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat= 184, 198, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 15 THR HB 16 THR HN 4.87 (#peak 2934)
&rst
ixpk= 2934, nxpk= 0, iat= 186, 196, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 15 THR QG2 154 LEU QQD 3.64 (#peak 2610)
&rst
ixpk= 2610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 188, 189, 190,
igr2=2263,2264,2265,2259,2260,2261,
&end
#
# 15 THR QG2 16 THR HN 4.28 (#peak 1589)
&rst
ixpk= 1589, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 188, 189, 190,
&end
#
# 16 THR HN 16 THR HB 3.65 (#peak 2548)
&rst
ixpk= 2548, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 16 THR HN 16 THR QG2 3.87 (#peak 795)
&rst
ixpk= 795, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 202, 203, 204,
&end
#
# 16 THR HA 16 THR QG2 3.25 (#peak 4729)
&rst
ixpk= 4729, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 202, 203, 204,
&end
#
# 16 THR HA 17 THR HN 3.41 (#peak 4726)
&rst
ixpk= 4726, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 16 THR HA 17 THR HA 5.90 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat= 198, 212, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 16 THR HA 17 THR QG2 4.27 (#peak 2578)
&rst
ixpk= 2578, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 216, 217, 218,
&end
#
# 16 THR QG2 160 ALA HN 4.04 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 202, 203, 204,
&end
#
# 16 THR QG2 160 ALA QB 2.98 (#peak 2336)
&rst
ixpk= 2336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 202, 203, 204,
igr2=2343,2344,2345,
&end
#
# 16 THR QG2 17 THR HN 3.55 (#peak 917)
&rst
ixpk= 917, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 202, 203, 204,
&end
#
# 16 THR QG2 17 THR HA 5.60 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 202, 203, 204,
&end
#
# 16 THR QG2 18 SER HN 3.16 (#peak 2331)
&rst
ixpk= 2331, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 202, 203, 204,
&end
#
# 17 THR HN 17 THR QG2 3.36 (#peak 2650)
&rst
ixpk= 2650, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 216, 217, 218,
&end
#
# 17 THR HN 18 SER HN 3.61 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 17 THR HN 18 SER HA 5.65 (#peak 1763)
&rst
ixpk= 1763, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 17 THR HA 113 THR HN 4.40 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= 212,1632, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 17 THR HA 113 THR QG2 5.39 (#peak 2683)
&rst
ixpk= 2683, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1638,1639,1640,
&end
#
# 17 THR HA 114 ALA HN 4.68 (#peak 4543)
&rst
ixpk= 4543, nxpk= 0, iat= 212,1646, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 17 THR HA 114 ALA HA 3.62 (#peak 707)
&rst
ixpk= 707, nxpk= 0, iat= 212,1648, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 17 THR HA 114 ALA QB 3.99 (#peak 4570)
&rst
ixpk= 4570, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1650,1651,1652,
&end
#
# 17 THR HA 17 THR QG2 3.01 (#peak 2688)
&rst
ixpk= 2688, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 216, 217, 218,
&end
#
# 17 THR HB 113 THR HN 4.67 (#peak 1091)
&rst
ixpk= 1091, nxpk= 0, iat= 214,1632, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 17 THR HB 114 ALA HA 4.13 (#peak 730)
&rst
ixpk= 730, nxpk= 0, iat= 214,1648, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 THR HB 114 ALA QB 3.07 (#peak 3820)
&rst
ixpk= 3820, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1650,1651,1652,
&end
#
# 17 THR HB 18 SER HN 4.51 (#peak 3141)
&rst
ixpk= 3141, nxpk= 0, iat= 214, 224, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 17 THR QG2 114 ALA HN 4.38 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 216, 217, 218,
&end
#
# 17 THR QG2 114 ALA HA 3.28 (#peak 704)
&rst
ixpk= 704, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 216, 217, 218,
&end
#
# 17 THR QG2 114 ALA QB 2.58 (#peak 2613)
&rst
ixpk= 2613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 216, 217, 218,
igr2=1650,1651,1652,
&end
#
# 18 SER HN 112 ASN HA 4.91 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= 224,1620, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 18 SER HN 113 THR QG2 5.29 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1638,1639,1640,
&end
#
# 18 SER HA 111 PHE HN 5.66 (#peak 1749)
&rst
ixpk= 1749, nxpk= 0, iat= 226,1598, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 18 SER HA 112 ASN HA 3.86 (#peak 1998)
&rst
ixpk= 1998, nxpk= 0, iat= 226,1620, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 SER HA 113 THR HN 3.64 (#peak 5292)
&rst
ixpk= 5292, nxpk= 0, iat= 226,1632, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 18 SER HA 113 THR HA 5.27 (#peak 1765)
&rst
ixpk= 1765, nxpk= 0, iat= 226,1634, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 18 SER HA 113 THR QG2 4.01 (#peak 2738)
&rst
ixpk= 2738, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1638,1639,1640,
&end
#
# 18 SER HA 114 ALA HN 5.30 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= 226,1646, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 18 SER HA 19 VAL HN 3.29 (#peak 5281)
&rst
ixpk= 5281, nxpk= 0, iat= 226, 235, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 18 SER HA 19 VAL HA 4.95 (#peak 5320)
&rst
ixpk= 5320, nxpk= 0, iat= 226, 237, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 18 SER HA 19 VAL QG1 4.73 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 241, 242, 243,
&end
#
# 18 SER HB2 112 ASN HA 4.22 (#peak 3721)
&rst
ixpk= 3721, nxpk= 0, iat= 228,1620, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 18 SER HB2 113 THR HN 5.32 (#peak 3718)
&rst
ixpk= 3718, nxpk= 0, iat= 228,1632, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 18 SER HB2 19 VAL HN 4.17 (#peak 3719)
&rst
ixpk= 3719, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 SER HB3 111 PHE HN 5.90 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= 229,1598, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 18 SER HB3 112 ASN HA 4.19 (#peak 3727)
&rst
ixpk= 3727, nxpk= 0, iat= 229,1620, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 18 SER HB3 113 THR HN 5.08 (#peak 3725)
&rst
ixpk= 3725, nxpk= 0, iat= 229,1632, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 18 SER HB3 113 THR QG2 5.85 (#peak 802)
&rst
ixpk= 802, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1638,1639,1640,
&end
#
# 18 SER HB3 19 VAL HN 3.82 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= 229, 235, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 19 VAL HN 111 PHE HN 4.75 (#peak 842)
&rst
ixpk= 842, nxpk= 0, iat= 235,1598, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 19 VAL HN 111 PHE HB2 4.83 (#peak 849)
&rst
ixpk= 849, nxpk= 0, iat= 235,1602, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 19 VAL HN 111 PHE O 2.4
&rst
ixpk= 849, nxpk= 0, iat= 235,1616, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 19 VAL HN 112 ASN HA 5.32 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat= 235,1620, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 19 VAL HN 113 THR QG2 3.65 (#peak 2700)
&rst
ixpk= 2700, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1638,1639,1640,
&end
#
# 19 VAL HN 19 VAL HB 4.18 (#peak 850)
&rst
ixpk= 850, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 19 VAL HN 19 VAL QG1 4.16 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 241, 242, 243,
&end
#
# 19 VAL HN 19 VAL QG2 4.44 (#peak 3008)
&rst
ixpk= 3008, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 245, 246, 247,
&end
#
# 19 VAL HA 160 ALA HN 4.37 (#peak 4853)
&rst
ixpk= 4853, nxpk= 0, iat= 237,2339, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 19 VAL HA 160 ALA QB 3.39 (#peak 2556)
&rst
ixpk= 2556, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2343,2344,2345,
&end
#
# 19 VAL HA 161 HIS HA 4.40 (#peak 4854)
&rst
ixpk= 4854, nxpk= 0, iat= 237,2351, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 19 VAL HA 19 VAL QG1 3.16 (#peak 2433)
&rst
ixpk= 2433, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 241, 242, 243,
&end
#
# 19 VAL HA 19 VAL QG2 3.41 (#peak 3012)
&rst
ixpk= 3012, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 245, 246, 247,
&end
#
# 19 VAL HA 20 THR HN 3.39 (#peak 4852)
&rst
ixpk= 4852, nxpk= 0, iat= 237, 251, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 VAL HA 20 THR HB 5.20 (#peak 4834)
&rst
ixpk= 4834, nxpk= 0, iat= 237, 255, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 19 VAL HA 65 TRP HZ2 5.87 (#peak 1530)
&rst
ixpk= 1530, nxpk= 0, iat= 237, 926, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 19 VAL HB 113 THR QG2 3.26 (#peak 2742)
&rst
ixpk= 2742, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1638,1639,1640,
&end
#
# 19 VAL HB 65 TRP HH2 4.50 (#peak 1465)
&rst
ixpk= 1465, nxpk= 0, iat= 239, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HB 65 TRP HZ2 4.03 (#peak 5085)
&rst
ixpk= 5085, nxpk= 0, iat= 239, 926, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 19 VAL N 111 PHE O 3.3
&rst
ixpk= 5085, nxpk= 0, iat= 234,1616, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 VAL QG1 111 PHE HB2 5.72 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 112 ASN HA 5.29 (#peak 2462)
&rst
ixpk= 2462, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 113 THR HN 5.40 (#peak 1096)
&rst
ixpk= 1096, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 113 THR HA 4.76 (#peak 2538)
&rst
ixpk= 2538, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 113 THR QG2 2.91 (#peak 2439)
&rst
ixpk= 2439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 241, 242, 243,
igr2=1638,1639,1640,
&end
#
# 19 VAL QG1 123 ILE QD1 4.51 (#peak 4800)
&rst
ixpk= 4800, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 241, 242, 243,
igr2=1801,1802,1803,
&end
#
# 19 VAL QG1 160 ALA HN 5.90 (#peak 5461)
&rst
ixpk= 5461, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 20 THR HN 4.29 (#peak 2414)
&rst
ixpk= 2414, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 65 TRP HE1 4.25 (#peak 2415)
&rst
ixpk= 2415, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 65 TRP HH2 3.28 (#peak 2431)
&rst
ixpk= 2431, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 65 TRP HZ2 3.60 (#peak 4213)
&rst
ixpk= 4213, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 65 TRP HZ3 5.00 (#peak 1479)
&rst
ixpk= 1479, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG2 111 PHE HB2 4.71 (#peak 3013)
&rst
ixpk= 3013, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 123 ILE QD1 4.29 (#peak 3017)
&rst
ixpk= 3017, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 245, 246, 247,
igr2=1801,1802,1803,
&end
#
# 19 VAL QG2 160 ALA HN 5.00 (#peak 3051)
&rst
ixpk= 3051, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 160 ALA QB 3.75 (#peak 3015)
&rst
ixpk= 3015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 245, 246, 247,
igr2=2343,2344,2345,
&end
#
# 19 VAL QG2 161 HIS HA 4.07 (#peak 3011)
&rst
ixpk= 3011, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 162 VAL HN 5.60 (#peak 4459)
&rst
ixpk= 4459, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 20 THR HN 3.71 (#peak 3007)
&rst
ixpk= 3007, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 20 THR HA 5.63 (#peak 1715)
&rst
ixpk= 1715, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 65 TRP HH2 4.04 (#peak 4464)
&rst
ixpk= 4464, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 65 TRP HZ2 3.33 (#peak 3010)
&rst
ixpk= 3010, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 245, 246, 247,
&end
#
# 20 THR HN 160 ALA HN 5.80 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= 251,2339, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 20 THR HN 160 ALA O 2.4
&rst
ixpk= 1603, nxpk= 0, iat= 251,2347, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 20 THR HN 160 ALA QB 4.46 (#peak 2551)
&rst
ixpk= 2551, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2343,2344,2345,
&end
#
# 20 THR HN 161 HIS HA 4.18 (#peak 1785)
&rst
ixpk= 1785, nxpk= 0, iat= 251,2351, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 20 THR HN 20 THR HB 3.28 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 20 THR HN 20 THR QG2 4.68 (#peak 234)
&rst
ixpk= 234, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 257, 258, 259,
&end
#
# 20 THR HN 21 VAL HN 5.56 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat= 251, 265, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 20 THR HN 22 HIS HD2 5.90 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= 251, 294, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 20 THR HA 109 ALA HN 4.99 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= 253,1566, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 20 THR HA 109 ALA QB 5.33 (#peak 4978)
&rst
ixpk= 4978, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1570,1571,1572,
&end
#
# 20 THR HA 110 LYS HA 3.62 (#peak 4976)
&rst
ixpk= 4976, nxpk= 0, iat= 253,1578, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 20 THR HA 110 LYS HB2 5.47 (#peak 4977)
&rst
ixpk= 4977, nxpk= 0, iat= 253,1580, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 20 THR HA 110 LYS QG 5.85 (#peak 1713)
&rst
ixpk= 1713, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1583,1584,
&end
#
# 20 THR HA 111 PHE HN 4.22 (#peak 4974)
&rst
ixpk= 4974, nxpk= 0, iat= 253,1598, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 20 THR HA 20 THR QG2 3.43 (#peak 3165)
&rst
ixpk= 3165, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 257, 258, 259,
&end
#
# 20 THR HA 21 VAL HN 3.45 (#peak 4975)
&rst
ixpk= 4975, nxpk= 0, iat= 253, 265, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 20 THR HA 21 VAL QG1 4.26 (#peak 2971)
&rst
ixpk= 2971, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 271, 272, 273,
&end
#
# 20 THR HA 21 VAL QG2 5.90 (#peak 1723)
&rst
ixpk= 1723, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 275, 276, 277,
&end
#
# 20 THR HB 161 HIS HA 4.39 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat= 255,2351, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 20 THR HB 161 HIS HE1 4.13 (#peak 2757)
&rst
ixpk= 2757, nxpk= 0, iat= 255,2359, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 20 THR HB 162 VAL HN 5.36 (#peak 2749)
&rst
ixpk= 2749, nxpk= 0, iat= 255,2366, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 20 THR HB 21 VAL HN 5.86 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 20 THR HB 22 HIS HD2 5.38 (#peak 2759)
&rst
ixpk= 2759, nxpk= 0, iat= 255, 294, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 20 THR N 160 ALA O 3.3
&rst
ixpk= 2759, nxpk= 0, iat= 250,2347, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 20 THR QG2 104 THR QG2 4.93 (#peak 1682)
&rst
ixpk= 1682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 257, 258, 259,
igr2=1511,1512,1513,
&end
#
# 20 THR QG2 108 GLY HA2 4.52 (#peak 2414)
&rst
ixpk= 2414, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 108 GLY HA3 3.89 (#peak 2638)
&rst
ixpk= 2638, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 109 ALA HN 3.72 (#peak 3163)
&rst
ixpk= 3163, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 110 LYS HA 4.06 (#peak 2273)
&rst
ixpk= 2273, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 110 LYS HB2 4.11 (#peak 3204)
&rst
ixpk= 3204, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 110 LYS HB3 4.82 (#peak 3134)
&rst
ixpk= 3134, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 111 PHE HN 4.82 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 161 HIS HA 4.84 (#peak 1784)
&rst
ixpk= 1784, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 161 HIS HE1 3.99 (#peak 4588)
&rst
ixpk= 4588, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 162 VAL HN 5.28 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 21 VAL HN 3.60 (#peak 3164)
&rst
ixpk= 3164, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 21 VAL HA 5.26 (#peak 2599)
&rst
ixpk= 2599, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 21 VAL QG2 5.51 (#peak 4594)
&rst
ixpk= 4594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 257, 258, 259,
igr2= 275, 276, 277,
&end
#
# 20 THR QG2 22 HIS HA 5.30 (#peak 2038)
&rst
ixpk= 2038, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 22 HIS HD2 4.33 (#peak 4590)
&rst
ixpk= 4590, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 257, 258, 259,
&end
#
# 20 THR QG2 22 HIS HE1 3.48 (#peak 4587)
&rst
ixpk= 4587, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 257, 258, 259,
&end
#
# 21 VAL HN 109 ALA HN 4.84 (#peak 175)
&rst
ixpk= 175, nxpk= 0, iat= 265,1566, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 21 VAL HN 109 ALA O 2.4
&rst
ixpk= 175, nxpk= 0, iat= 265,1574, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 21 VAL HN 109 ALA QB 3.85 (#peak 3451)
&rst
ixpk= 3451, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1570,1571,1572,
&end
#
# 21 VAL HN 110 LYS HA 4.49 (#peak 2263)
&rst
ixpk= 2263, nxpk= 0, iat= 265,1578, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 21 VAL HN 111 PHE HN 5.12 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= 265,1598, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 VAL HN 111 PHE QD 5.15 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1606,1614,
&end
#
# 21 VAL HN 111 PHE QE 5.16 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1608,1612,
&end
#
# 21 VAL HN 21 VAL HB 3.92 (#peak 279)
&rst
ixpk= 279, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 21 VAL HN 21 VAL QG1 3.43 (#peak 2968)
&rst
ixpk= 2968, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 271, 272, 273,
&end
#
# 21 VAL HN 21 VAL QG2 3.95 (#peak 3427)
&rst
ixpk= 3427, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 275, 276, 277,
&end
#
# 21 VAL HN 22 HIS HN 5.30 (#peak 293)
&rst
ixpk= 293, nxpk= 0, iat= 265, 281, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 21 VAL HN 22 HIS HD2 5.90 (#peak 347)
&rst
ixpk= 347, nxpk= 0, iat= 265, 294, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 21 VAL HA 161 HIS HA 5.20 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= 267,2351, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 21 VAL HA 162 VAL HN 4.26 (#peak 5020)
&rst
ixpk= 5020, nxpk= 0, iat= 267,2366, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 21 VAL HA 162 VAL HB 4.36 (#peak 5279)
&rst
ixpk= 5279, nxpk= 0, iat= 267,2370, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 21 VAL HA 162 VAL QG1 3.95 (#peak 2598)
&rst
ixpk= 2598, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2372,2373,2374,
&end
#
# 21 VAL HA 162 VAL QG2 3.15 (#peak 3195)
&rst
ixpk= 3195, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2376,2377,2378,
&end
#
# 21 VAL HA 163 TYR HN 5.90 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat= 267,2382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 21 VAL HA 21 VAL QG1 3.28 (#peak 5019)
&rst
ixpk= 5019, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 271, 272, 273,
&end
#
# 21 VAL HA 21 VAL QG2 3.36 (#peak 3430)
&rst
ixpk= 3430, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 275, 276, 277,
&end
#
# 21 VAL HA 22 HIS HN 3.30 (#peak 5017)
&rst
ixpk= 5017, nxpk= 0, iat= 267, 281, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 VAL HA 22 HIS HD2 4.26 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat= 267, 294, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 21 VAL HB 109 ALA HN 5.83 (#peak 341)
&rst
ixpk= 341, nxpk= 0, iat= 269,1566, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 21 VAL HB 22 HIS HN 5.23 (#peak 304)
&rst
ixpk= 304, nxpk= 0, iat= 269, 281, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 21 VAL HB 63 PHE QD 5.36 (#peak 306)
&rst
ixpk= 306, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 885, 893,
&end
#
# 21 VAL N 109 ALA O 3.3
&rst
ixpk= 306, nxpk= 0, iat= 264,1574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 VAL QG1 109 ALA HN 4.74 (#peak 2967)
&rst
ixpk= 2967, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 110 LYS HA 4.65 (#peak 4492)
&rst
ixpk= 4492, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 111 PHE HN 5.35 (#peak 4483)
&rst
ixpk= 4483, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 111 PHE HB2 4.31 (#peak 2974)
&rst
ixpk= 2974, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 111 PHE HZ 4.08 (#peak 4500)
&rst
ixpk= 4500, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 111 PHE QE 3.74 (#peak 2969)
&rst
ixpk= 2969, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 271, 272, 273,
igr2=1608,1612,
&end
#
# 21 VAL QG1 162 VAL HB 4.62 (#peak 2975)
&rst
ixpk= 2975, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 22 HIS HN 4.29 (#peak 305)
&rst
ixpk= 305, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 63 PHE QB 4.54 (#peak 2898)
&rst
ixpk= 2898, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 271, 272, 273,
igr2= 881, 882,
&end
#
# 21 VAL QG1 63 PHE QD 3.39 (#peak 4488)
&rst
ixpk= 4488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 271, 272, 273,
igr2= 885, 893,
&end
#
# 21 VAL QG1 65 TRP HD1 5.31 (#peak 4482)
&rst
ixpk= 4482, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 65 TRP HE1 4.60 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG1 65 TRP HZ2 5.45 (#peak 2970)
&rst
ixpk= 2970, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 271, 272, 273,
&end
#
# 21 VAL QG2 104 THR QG2 3.57 (#peak 3431)
&rst
ixpk= 3431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 275, 276, 277,
igr2=1511,1512,1513,
&end
#
# 21 VAL QG2 109 ALA HN 5.14 (#peak 345)
&rst
ixpk= 345, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 109 ALA QB 3.92 (#peak 3458)
&rst
ixpk= 3458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 275, 276, 277,
igr2=1570,1571,1572,
&end
#
# 21 VAL QG2 111 PHE HZ 5.90 (#peak 4803)
&rst
ixpk= 4803, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 111 PHE QE 5.11 (#peak 4809)
&rst
ixpk= 4809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 275, 276, 277,
igr2=1608,1612,
&end
#
# 21 VAL QG2 123 ILE HG13 5.90 (#peak 4845)
&rst
ixpk= 4845, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 123 ILE QG2 3.89 (#peak 4830)
&rst
ixpk= 4830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 275, 276, 277,
igr2=1794,1795,1796,
&end
#
# 21 VAL QG2 162 VAL HN 5.27 (#peak 4806)
&rst
ixpk= 4806, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 162 VAL HA 5.11 (#peak 3435)
&rst
ixpk= 3435, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 162 VAL HB 4.34 (#peak 5280)
&rst
ixpk= 5280, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 162 VAL QG1 3.42 (#peak 2965)
&rst
ixpk= 2965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 275, 276, 277,
igr2=2372,2373,2374,
&end
#
# 21 VAL QG2 162 VAL QG2 2.95 (#peak 3200)
&rst
ixpk= 3200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 275, 276, 277,
igr2=2376,2377,2378,
&end
#
# 21 VAL QG2 163 TYR HN 5.79 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 164 PRO HD2 4.12 (#peak 3400)
&rst
ixpk= 3400, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 164 PRO HD3 3.58 (#peak 3401)
&rst
ixpk= 3401, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 164 PRO HG2 5.13 (#peak 1483)
&rst
ixpk= 1483, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 164 PRO HG3 4.24 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 22 HIS HN 3.64 (#peak 3460)
&rst
ixpk= 3460, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 22 HIS HA 5.90 (#peak 2039)
&rst
ixpk= 2039, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 22 HIS HB2 5.49 (#peak 3150)
&rst
ixpk= 3150, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 22 HIS HD2 5.05 (#peak 4816)
&rst
ixpk= 4816, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 23 LYS HN 5.90 (#peak 4804)
&rst
ixpk= 4804, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 23 LYS HB2 5.09 (#peak 3317)
&rst
ixpk= 3317, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 275, 276, 277,
&end
#
# 21 VAL QG2 63 PHE QB 5.15 (#peak 3019)
&rst
ixpk= 3019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 275, 276, 277,
igr2= 881, 882,
&end
#
# 21 VAL QG2 63 PHE QD 3.74 (#peak 4812)
&rst
ixpk= 4812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 275, 276, 277,
igr2= 885, 893,
&end
#
# 21 VAL QG2 63 PHE QE 3.87 (#peak 4811)
&rst
ixpk= 4811, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 275, 276, 277,
igr2= 887, 891,
&end
#
# 22 HIS HN 162 VAL HN 4.94 (#peak 1105)
&rst
ixpk= 1105, nxpk= 0, iat= 281,2366, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 22 HIS HN 162 VAL HB 5.79 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat= 281,2370, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 22 HIS HN 162 VAL O 2.4
&rst
ixpk= 303, nxpk= 0, iat= 281,2380, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 22 HIS HN 162 VAL QG1 5.05 (#peak 816)
&rst
ixpk= 816, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2372,2373,2374,
&end
#
# 22 HIS HN 162 VAL QG2 3.85 (#peak 3192)
&rst
ixpk= 3192, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2376,2377,2378,
&end
#
# 22 HIS HN 163 TYR HN 5.90 (#peak 555)
&rst
ixpk= 555, nxpk= 0, iat= 281,2382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 22 HIS HN 163 TYR HA 4.44 (#peak 796)
&rst
ixpk= 796, nxpk= 0, iat= 281,2384, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 22 HIS HN 163 TYR QD 4.93 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2390,2399,
&end
#
# 22 HIS HN 163 TYR QE 5.84 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2392,2397,
&end
#
# 22 HIS HN 164 PRO HD2 4.58 (#peak 1806)
&rst
ixpk= 1806, nxpk= 0, iat= 281,2404, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 22 HIS HN 164 PRO HD3 4.74 (#peak 1822)
&rst
ixpk= 1822, nxpk= 0, iat= 281,2405, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 22 HIS HN 22 HIS HD2 4.01 (#peak 811)
&rst
ixpk= 811, nxpk= 0, iat= 281, 294, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 HIS HN 23 LYS HN 5.52 (#peak 291)
&rst
ixpk= 291, nxpk= 0, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 22 HIS HA 108 GLY HA2 4.97 (#peak 3318)
&rst
ixpk= 3318, nxpk= 0, iat= 283,1561, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 HIS HA 109 ALA HN 5.14 (#peak 2031)
&rst
ixpk= 2031, nxpk= 0, iat= 283,1566, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 22 HIS HA 22 HIS HD2 5.17 (#peak 2033)
&rst
ixpk= 2033, nxpk= 0, iat= 283, 294, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 22 HIS HA 23 LYS HN 3.43 (#peak 969)
&rst
ixpk= 969, nxpk= 0, iat= 283, 298, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 22 HIS HB2 163 TYR QD 3.95 (#peak 3142)
&rst
ixpk= 3142, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2390,2399,
&end
#
# 22 HIS HB2 163 TYR QE 4.91 (#peak 3143)
&rst
ixpk= 3143, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2392,2397,
&end
#
# 22 HIS HB2 23 LYS HN 5.90 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 285, 298, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 22 HIS HB2 24 LEU QD2 5.29 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 333, 334, 335,
&end
#
# 22 HIS HB3 163 TYR QD 4.61 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=2390,2399,
&end
#
# 22 HIS HB3 163 TYR QE 5.07 (#peak 3209)
&rst
ixpk= 3209, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2392,2397,
&end
#
# 22 HIS HB3 23 LYS HN 5.73 (#peak 3206)
&rst
ixpk= 3206, nxpk= 0, iat= 286, 298, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 22 HIS HB3 24 LEU QD2 5.41 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 333, 334, 335,
&end
#
# 22 HIS HD2 104 THR QG2 5.90 (#peak 1246)
&rst
ixpk= 1246, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1511,1512,1513,
&end
#
# 22 HIS HD2 161 HIS HA 4.01 (#peak 1777)
&rst
ixpk= 1777, nxpk= 0, iat= 294,2351, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 HIS HD2 161 HIS HB2 4.02 (#peak 3064)
&rst
ixpk= 3064, nxpk= 0, iat= 294,2353, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 22 HIS HD2 161 HIS HB3 4.11 (#peak 3108)
&rst
ixpk= 3108, nxpk= 0, iat= 294,2354, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 HIS HD2 162 VAL HN 3.81 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 294,2366, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 22 HIS HD2 162 VAL HA 5.27 (#peak 1980)
&rst
ixpk= 1980, nxpk= 0, iat= 294,2368, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 22 HIS HD2 162 VAL HB 5.40 (#peak 3594)
&rst
ixpk= 3594, nxpk= 0, iat= 294,2370, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 22 HIS HD2 162 VAL QG1 5.58 (#peak 4382)
&rst
ixpk= 4382, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2372,2373,2374,
&end
#
# 22 HIS HD2 162 VAL QG2 4.57 (#peak 4531)
&rst
ixpk= 4531, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2376,2377,2378,
&end
#
# 22 HIS HD2 163 TYR HA 5.57 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= 294,2384, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 22 HIS HD2 163 TYR QE 4.37 (#peak 1518)
&rst
ixpk= 1518, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2392,2397,
&end
#
# 22 HIS N 162 VAL O 3.3
&rst
ixpk= 1518, nxpk= 0, iat= 280,2380, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 23 LYS HN 104 THR QG2 4.16 (#peak 2019)
&rst
ixpk= 2019, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1511,1512,1513,
&end
#
# 23 LYS HN 164 PRO HD2 5.90 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= 298,2404, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 23 LYS HN 24 LEU HN 5.90 (#peak 326)
&rst
ixpk= 326, nxpk= 0, iat= 298, 320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 23 LYS HN 24 LEU HA 5.74 (#peak 22)
&rst
ixpk= 22, nxpk= 0, iat= 298, 322, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 23 LYS HN 63 PHE QE 5.77 (#peak 24)
&rst
ixpk= 24, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 887, 891,
&end
#
# 23 LYS HA 104 THR QG2 5.88 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1511,1512,1513,
&end
#
# 23 LYS HA 163 TYR HA 5.39 (#peak 5450)
&rst
ixpk= 5450, nxpk= 0, iat= 300,2384, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 23 LYS HA 164 PRO HD2 3.96 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat= 300,2404, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 23 LYS HA 164 PRO HG2 5.36 (#peak 1478)
&rst
ixpk= 1478, nxpk= 0, iat= 300,2407, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 23 LYS HA 164 PRO HG3 5.13 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat= 300,2408, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 23 LYS HA 23 LYS HG2 4.13 (#peak 1332)
&rst
ixpk= 1332, nxpk= 0, iat= 300, 305, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 23 LYS HA 23 LYS HG3 4.11 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat= 300, 306, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 23 LYS HA 23 LYS QE 4.86 (#peak 3825)
&rst
ixpk= 3825, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 311, 312,
&end
#
# 23 LYS HA 24 LEU HB2 5.90 (#peak 495)
&rst
ixpk= 495, nxpk= 0, iat= 300, 324, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 23 LYS HB2 104 THR HB 5.30 (#peak 2747)
&rst
ixpk= 2747, nxpk= 0, iat= 302,1509, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 23 LYS HB2 104 THR QG2 4.35 (#peak 2073)
&rst
ixpk= 2073, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1511,1512,1513,
&end
#
# 23 LYS HB2 58 ILE QG1 4.88 (#peak 3321)
&rst
ixpk= 3321, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 818, 819,
&end
#
# 23 LYS HB2 61 VAL QG1 4.18 (#peak 2566)
&rst
ixpk= 2566, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 850, 851, 852,
&end
#
# 23 LYS HB2 63 PHE QE 4.92 (#peak 3296)
&rst
ixpk= 3296, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 887, 891,
&end
#
# 23 LYS HB3 104 THR QG2 4.22 (#peak 2074)
&rst
ixpk= 2074, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1511,1512,1513,
&end
#
# 23 LYS HB3 61 VAL QG2 5.12 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 854, 855, 856,
&end
#
# 23 LYS HB3 63 PHE QE 4.81 (#peak 298)
&rst
ixpk= 298, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 887, 891,
&end
#
# 23 LYS HG2 24 LEU HN 4.52 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= 305, 320, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 LYS HG2 25 LEU QD2 5.04 (#peak 1333)
&rst
ixpk= 1333, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 352, 353, 354,
&end
#
# 23 LYS HG2 61 VAL QG2 5.08 (#peak 1334)
&rst
ixpk= 1334, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 854, 855, 856,
&end
#
# 23 LYS HG3 23 LYS QE 4.20 (#peak 1343)
&rst
ixpk= 1343, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 311, 312,
&end
#
# 23 LYS HG3 24 LEU HN 4.98 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 23 LYS QD 58 ILE QD1 4.85 (#peak 5503)
&rst
ixpk= 5503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 308, 309,
igr2= 821, 822, 823,
&end
#
# 23 LYS QD 58 ILE QG1 5.10 (#peak 2022)
&rst
ixpk= 2022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 308, 309,
igr2= 818, 819,
&end
#
# 23 LYS QD 61 VAL QG1 3.86 (#peak 2543)
&rst
ixpk= 2543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 308, 309,
igr2= 850, 851, 852,
&end
#
# 23 LYS QD 63 PHE QD 5.37 (#peak 3883)
&rst
ixpk= 3883, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 308, 309,
igr2= 885, 893,
&end
#
# 23 LYS QE 25 LEU HB2 5.55 (#peak 3932)
&rst
ixpk= 3932, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 311, 312,
&end
#
# 23 LYS QE 25 LEU QD1 4.46 (#peak 3117)
&rst
ixpk= 3117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 311, 312,
igr2= 348, 349, 350,
&end
#
# 23 LYS QE 25 LEU QD2 3.24 (#peak 2322)
&rst
ixpk= 2322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 311, 312,
igr2= 352, 353, 354,
&end
#
# 23 LYS QE 58 ILE QD1 5.86 (#peak 3125)
&rst
ixpk= 3125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 311, 312,
igr2= 821, 822, 823,
&end
#
# 23 LYS QE 61 VAL QG2 4.65 (#peak 2699)
&rst
ixpk= 2699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 311, 312,
igr2= 854, 855, 856,
&end
#
# 24 LEU HN 24 LEU HB2 4.17 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 24 LEU HN 24 LEU HG 5.40 (#peak 1540)
&rst
ixpk= 1540, nxpk= 0, iat= 320, 327, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 24 LEU HN 24 LEU QD1 4.52 (#peak 4313)
&rst
ixpk= 4313, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 329, 330, 331,
&end
#
# 24 LEU HN 24 LEU QD2 4.14 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 333, 334, 335,
&end
#
# 24 LEU HA 24 LEU HG 3.85 (#peak 1273)
&rst
ixpk= 1273, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 24 LEU HA 24 LEU QD1 4.06 (#peak 1703)
&rst
ixpk= 1703, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 329, 330, 331,
&end
#
# 24 LEU HA 24 LEU QD2 2.93 (#peak 2446)
&rst
ixpk= 2446, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 333, 334, 335,
&end
#
# 24 LEU HA 25 LEU HN 3.33 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= 322, 339, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 24 LEU HA 25 LEU HA 5.41 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat= 322, 341, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 24 LEU HA 56 LYS HN 5.24 (#peak 1706)
&rst
ixpk= 1706, nxpk= 0, iat= 322, 771, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 24 LEU HA 57 GLU HA 3.74 (#peak 542)
&rst
ixpk= 542, nxpk= 0, iat= 322, 795, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 24 LEU HA 57 GLU HG2 5.90 (#peak 402)
&rst
ixpk= 402, nxpk= 0, iat= 322, 800, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 24 LEU HB2 163 TYR HB3 5.32 (#peak 3596)
&rst
ixpk= 3596, nxpk= 0, iat= 324,2387, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 24 LEU HB2 163 TYR QD 4.36 (#peak 1321)
&rst
ixpk= 1321, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2390,2399,
&end
#
# 24 LEU HB2 24 LEU QD1 3.19 (#peak 1959)
&rst
ixpk= 1959, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 329, 330, 331,
&end
#
# 24 LEU HB2 25 LEU HN 4.78 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 24 LEU HB3 25 LEU HN 4.60 (#peak 242)
&rst
ixpk= 242, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 24 LEU HG 163 TYR QD 4.05 (#peak 3645)
&rst
ixpk= 3645, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2390,2399,
&end
#
# 24 LEU HG 163 TYR QE 5.65 (#peak 1512)
&rst
ixpk= 1512, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2392,2397,
&end
#
# 24 LEU QD1 163 TYR HB2 5.02 (#peak 3072)
&rst
ixpk= 3072, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 329, 330, 331,
&end
#
# 24 LEU QD1 163 TYR HB3 4.52 (#peak 3116)
&rst
ixpk= 3116, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 329, 330, 331,
&end
#
# 24 LEU QD1 163 TYR QD 3.30 (#peak 4318)
&rst
ixpk= 4318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 329, 330, 331,
igr2=2390,2399,
&end
#
# 24 LEU QD1 163 TYR QE 4.50 (#peak 4320)
&rst
ixpk= 4320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 329, 330, 331,
igr2=2392,2397,
&end
#
# 24 LEU QD1 25 LEU HN 5.07 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 329, 330, 331,
&end
#
# 24 LEU QD1 57 GLU HG2 4.08 (#peak 3284)
&rst
ixpk= 3284, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 329, 330, 331,
&end
#
# 24 LEU QD1 57 GLU HG3 4.83 (#peak 1958)
&rst
ixpk= 1958, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 329, 330, 331,
&end
#
# 24 LEU QD2 163 TYR HA 4.39 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 163 TYR QD 3.57 (#peak 2385)
&rst
ixpk= 2385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 333, 334, 335,
igr2=2390,2399,
&end
#
# 24 LEU QD2 25 LEU HN 4.14 (#peak 703)
&rst
ixpk= 703, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 57 GLU HA 3.02 (#peak 2447)
&rst
ixpk= 2447, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 57 GLU HB2 4.41 (#peak 1101)
&rst
ixpk= 1101, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 57 GLU HG2 3.48 (#peak 2450)
&rst
ixpk= 2450, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 57 GLU HG3 4.83 (#peak 5168)
&rst
ixpk= 5168, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 58 ILE HN 4.53 (#peak 2444)
&rst
ixpk= 2444, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 333, 334, 335,
&end
#
# 24 LEU QQD 163 TYR HB3 5.04 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 333, 334, 335, 329, 330, 331,
&end
#
# 24 LEU QQD 163 TYR QD 3.99 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 333, 334, 335, 329, 330, 331,
igr2=2390,2399,
&end
#
# 24 LEU QQD 163 TYR QE 5.37 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 333, 334, 335, 329, 330, 331,
igr2=2392,2397,
&end
#
# 24 LEU QQD 38 LEU QD2 5.62 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 333, 334, 335, 329, 330, 331,
igr2= 535, 536, 537,
&end
#
# 24 LEU QQD 57 GLU HG2 5.63 (#peak 1527)
&rst
ixpk= 1527, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1= 333, 334, 335, 329, 330, 331,
&end
#
# 25 LEU HN 25 LEU HB2 4.15 (#peak 2995)
&rst
ixpk= 2995, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 25 LEU HN 25 LEU HG 5.20 (#peak 1746)
&rst
ixpk= 1746, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 25 LEU HN 25 LEU QD1 4.87 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 348, 349, 350,
&end
#
# 25 LEU HN 25 LEU QD2 4.33 (#peak 4348)
&rst
ixpk= 4348, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 352, 353, 354,
&end
#
# 25 LEU HN 26 ALA HN 5.05 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat= 339, 358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 25 LEU HN 56 LYS HN 4.11 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat= 339, 771, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 25 LEU HN 57 GLU HA 4.78 (#peak 697)
&rst
ixpk= 697, nxpk= 0, iat= 339, 795, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 25 LEU HN 58 ILE QD1 5.75 (#peak 4690)
&rst
ixpk= 4690, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 821, 822, 823,
&end
#
# 25 LEU HA 165 LYS HA 4.68 (#peak 5491)
&rst
ixpk= 5491, nxpk= 0, iat= 341,2419, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 25 LEU HA 25 LEU QD1 4.24 (#peak 2064)
&rst
ixpk= 2064, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 348, 349, 350,
&end
#
# 25 LEU HA 25 LEU QD2 2.96 (#peak 2346)
&rst
ixpk= 2346, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 352, 353, 354,
&end
#
# 25 LEU HA 26 ALA HN 3.25 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat= 341, 358, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 25 LEU HA 26 ALA QB 4.05 (#peak 3216)
&rst
ixpk= 3216, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 362, 363, 364,
&end
#
# 25 LEU HA 31 MET QE 2.99 (#peak 4183)
&rst
ixpk= 4183, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 424, 425, 426,
&end
#
# 25 LEU HB2 26 ALA HN 4.45 (#peak 2996)
&rst
ixpk= 2996, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 25 LEU HB2 57 GLU HA 5.90 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= 343, 795, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 25 LEU HB2 58 ILE QD1 3.76 (#peak 5174)
&rst
ixpk= 5174, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 821, 822, 823,
&end
#
# 25 LEU HB3 25 LEU QD1 3.89 (#peak 3035)
&rst
ixpk= 3035, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 348, 349, 350,
&end
#
# 25 LEU HB3 25 LEU QD2 3.19 (#peak 2348)
&rst
ixpk= 2348, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 352, 353, 354,
&end
#
# 25 LEU HB3 26 ALA HN 4.05 (#peak 2990)
&rst
ixpk= 2990, nxpk= 0, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 25 LEU HB3 58 ILE QD1 5.21 (#peak 2994)
&rst
ixpk= 2994, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 821, 822, 823,
&end
#
# 25 LEU HB3 58 ILE QG2 5.76 (#peak 5494)
&rst
ixpk= 5494, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 814, 815, 816,
&end
#
# 25 LEU HG 26 ALA HN 5.00 (#peak 1745)
&rst
ixpk= 1745, nxpk= 0, iat= 346, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 LEU HG 58 ILE QD1 4.36 (#peak 1719)
&rst
ixpk= 1719, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 821, 822, 823,
&end
#
# 25 LEU HG 58 ILE QG2 4.48 (#peak 5495)
&rst
ixpk= 5495, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 814, 815, 816,
&end
#
# 25 LEU QD1 143 SER HN 5.90 (#peak 1630)
&rst
ixpk= 1630, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 143 SER QB 4.41 (#peak 4208)
&rst
ixpk= 4208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 348, 349, 350,
igr2=2080,2081,
&end
#
# 25 LEU QD1 166 ASN HD21 4.79 (#peak 39)
&rst
ixpk= 39, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 56 LYS HG3 5.90 (#peak 2302)
&rst
ixpk= 2302, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 56 LYS QE 5.22 (#peak 3984)
&rst
ixpk= 3984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 348, 349, 350,
igr2= 784, 785,
&end
#
# 25 LEU QD2 143 SER HN 5.90 (#peak 1629)
&rst
ixpk= 1629, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 352, 353, 354,
&end
#
# 25 LEU QD2 166 ASN HD22 4.89 (#peak 2320)
&rst
ixpk= 2320, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 352, 353, 354,
&end
#
# 25 LEU QD2 26 ALA HN 3.94 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 352, 353, 354,
&end
#
# 25 LEU QD2 31 MET QE 4.88 (#peak 2344)
&rst
ixpk= 2344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 352, 353, 354,
igr2= 424, 425, 426,
&end
#
# 25 LEU QD2 56 LYS QE 4.78 (#peak 2992)
&rst
ixpk= 2992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 352, 353, 354,
igr2= 784, 785,
&end
#
# 25 LEU QD2 58 ILE QD1 4.10 (#peak 4689)
&rst
ixpk= 4689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 352, 353, 354,
igr2= 821, 822, 823,
&end
#
# 26 ALA HN 26 ALA QB 3.04 (#peak 3208)
&rst
ixpk= 3208, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 362, 363, 364,
&end
#
# 26 ALA HN 27 THR HN 5.30 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 ALA HN 31 MET QE 3.63 (#peak 4181)
&rst
ixpk= 4181, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 424, 425, 426,
&end
#
# 26 ALA HA 27 THR HA 4.83 (#peak 1741)
&rst
ixpk= 1741, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 26 ALA HA 27 THR QG2 4.04 (#peak 1735)
&rst
ixpk= 1735, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 374, 375, 376,
&end
#
# 26 ALA HA 28 ASP HN 5.28 (#peak 1739)
&rst
ixpk= 1739, nxpk= 0, iat= 360, 382, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 26 ALA HA 30 ASP HN 5.45 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat= 360, 401, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 26 ALA HA 30 ASP HB2 5.66 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat= 360, 405, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 26 ALA HA 31 MET QE 5.08 (#peak 1742)
&rst
ixpk= 1742, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 424, 425, 426,
&end
#
# 26 ALA HA 34 ILE QD1 3.66 (#peak 1906)
&rst
ixpk= 1906, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 477, 478, 479,
&end
#
# 26 ALA HA 55 ALA HA 4.35 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= 360, 763, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 26 ALA HA 56 LYS HN 4.75 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat= 360, 771, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 26 ALA QB 27 THR HN 3.80 (#peak 3247)
&rst
ixpk= 3247, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 29 GLY HN 4.12 (#peak 3215)
&rst
ixpk= 3215, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 29 GLY HA2 3.76 (#peak 3250)
&rst
ixpk= 3250, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 29 GLY HA3 3.97 (#peak 3173)
&rst
ixpk= 3173, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 30 ASP HN 3.25 (#peak 3209)
&rst
ixpk= 3209, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 30 ASP HA 5.03 (#peak 3210)
&rst
ixpk= 3210, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 30 ASP HB2 5.33 (#peak 4384)
&rst
ixpk= 4384, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 30 ASP HB3 4.21 (#peak 3979)
&rst
ixpk= 3979, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 31 MET HN 4.61 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 31 MET HA 3.43 (#peak 3211)
&rst
ixpk= 3211, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 31 MET HB2 4.34 (#peak 3137)
&rst
ixpk= 3137, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 31 MET HB3 4.34 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 31 MET HG3 4.30 (#peak 3980)
&rst
ixpk= 3980, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 362, 363, 364,
&end
#
# 26 ALA QB 31 MET QE 2.58 (#peak 4189)
&rst
ixpk= 4189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 362, 363, 364,
igr2= 424, 425, 426,
&end
#
# 26 ALA QB 34 ILE QD1 3.00 (#peak 3217)
&rst
ixpk= 3217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 362, 363, 364,
igr2= 477, 478, 479,
&end
#
# 26 ALA QB 56 LYS HN 4.97 (#peak 3322)
&rst
ixpk= 3322, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 362, 363, 364,
&end
#
# 27 THR HN 27 THR QG2 3.24 (#peak 2616)
&rst
ixpk= 2616, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 374, 375, 376,
&end
#
# 27 THR HN 28 ASP HN 4.86 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat= 368, 382, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 27 THR HN 28 ASP HB3 5.90 (#peak 3170)
&rst
ixpk= 3170, nxpk= 0, iat= 368, 387, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 27 THR HN 54 ASN HB2 4.57 (#peak 4917)
&rst
ixpk= 4917, nxpk= 0, iat= 368, 751, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 27 THR HN 55 ALA HA 4.53 (#peak 1684)
&rst
ixpk= 1684, nxpk= 0, iat= 368, 763, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 27 THR HN 56 LYS HN 5.76 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat= 368, 771, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 27 THR HA 27 THR QG2 2.92 (#peak 2619)
&rst
ixpk= 2619, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 374, 375, 376,
&end
#
# 27 THR HA 56 LYS QD 4.91 (#peak 4348)
&rst
ixpk= 4348, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 781, 782,
&end
#
# 27 THR HB 28 ASP HN 4.73 (#peak 3206)
&rst
ixpk= 3206, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 27 THR QG2 28 ASP HN 4.55 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 374, 375, 376,
&end
#
# 27 THR QG2 54 ASN HA 4.72 (#peak 1261)
&rst
ixpk= 1261, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 374, 375, 376,
&end
#
# 27 THR QG2 55 ALA HA 3.98 (#peak 1808)
&rst
ixpk= 1808, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 374, 375, 376,
&end
#
# 27 THR QG2 56 LYS HN 4.40 (#peak 2617)
&rst
ixpk= 2617, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 374, 375, 376,
&end
#
# 27 THR QG2 56 LYS HB3 3.08 (#peak 3771)
&rst
ixpk= 3771, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 374, 375, 376,
&end
#
# 27 THR QG2 56 LYS QD 3.36 (#peak 3748)
&rst
ixpk= 3748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 374, 375, 376,
igr2= 781, 782,
&end
#
# 27 THR QG2 56 LYS QE 4.41 (#peak 5493)
&rst
ixpk= 5493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 374, 375, 376,
igr2= 784, 785,
&end
#
# 28 ASP HN 29 GLY HA2 5.66 (#peak 854)
&rst
ixpk= 854, nxpk= 0, iat= 382, 396, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 28 ASP HA 30 ASP HN 5.90 (#peak 2005)
&rst
ixpk= 2005, nxpk= 0, iat= 384, 401, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 28 ASP HB3 30 ASP HN 5.69 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat= 387, 401, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 29 GLY HN 30 ASP HN 4.28 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat= 394, 401, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 30 ASP HN 30 ASP HB2 3.85 (#peak 2936)
&rst
ixpk= 2936, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 ASP HN 30 ASP HB3 3.63 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= 401, 406, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 30 ASP HN 31 MET HN 4.64 (#peak 703)
&rst
ixpk= 703, nxpk= 0, iat= 401, 413, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 ASP HN 31 MET QE 5.68 (#peak 597)
&rst
ixpk= 597, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 424, 425, 426,
&end
#
# 30 ASP HN 33 LYS HG2 5.67 (#peak 3805)
&rst
ixpk= 3805, nxpk= 0, iat= 401, 449, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 30 ASP HN 33 LYS QD 5.30 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 452, 453,
&end
#
# 30 ASP HN 34 ILE QD1 5.44 (#peak 600)
&rst
ixpk= 600, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 477, 478, 479,
&end
#
# 30 ASP HA 31 MET HN 3.41 (#peak 545)
&rst
ixpk= 545, nxpk= 0, iat= 403, 413, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 30 ASP HA 32 ASP HN 3.97 (#peak 615)
&rst
ixpk= 615, nxpk= 0, iat= 403, 430, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 30 ASP HA 33 LYS HN 3.89 (#peak 1936)
&rst
ixpk= 1936, nxpk= 0, iat= 403, 442, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 ASP HA 33 LYS HG2 3.46 (#peak 1201)
&rst
ixpk= 1201, nxpk= 0, iat= 403, 449, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 30 ASP HB2 31 MET HN 4.79 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= 405, 413, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 30 ASP HB2 33 LYS HN 5.59 (#peak 4355)
&rst
ixpk= 4355, nxpk= 0, iat= 405, 442, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 30 ASP HB2 34 ILE HN 4.94 (#peak 2933)
&rst
ixpk= 2933, nxpk= 0, iat= 405, 464, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 30 ASP HB2 34 ILE HG12 4.43 (#peak 1219)
&rst
ixpk= 1219, nxpk= 0, iat= 405, 474, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 30 ASP HB2 34 ILE QD1 5.21 (#peak 2935)
&rst
ixpk= 2935, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 477, 478, 479,
&end
#
# 30 ASP HB3 31 MET QE 5.68 (#peak 4389)
&rst
ixpk= 4389, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 424, 425, 426,
&end
#
# 30 ASP HB3 33 LYS QD 4.67 (#peak 4335)
&rst
ixpk= 4335, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 452, 453,
&end
#
# 30 ASP HB3 54 ASN HB3 5.51 (#peak 3159)
&rst
ixpk= 3159, nxpk= 0, iat= 406, 752, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 30 ASP HB3 54 ASN HD21 5.90 (#peak 3327)
&rst
ixpk= 3327, nxpk= 0, iat= 406, 756, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 30 ASP HB3 54 ASN HD22 5.00 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat= 406, 757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 MET HN 31 MET HB2 4.12 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 31 MET HN 31 MET HB3 3.97 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 31 MET HN 31 MET HG2 3.61 (#peak 3432)
&rst
ixpk= 3432, nxpk= 0, iat= 413, 420, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 31 MET HN 31 MET HG3 4.06 (#peak 3385)
&rst
ixpk= 3385, nxpk= 0, iat= 413, 421, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 31 MET HN 31 MET QE 3.90 (#peak 549)
&rst
ixpk= 549, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 424, 425, 426,
&end
#
# 31 MET HN 32 ASP HN 3.80 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 MET HN 34 ILE QD1 5.60 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 477, 478, 479,
&end
#
# 31 MET HA 31 MET HG2 3.99 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat= 415, 420, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 31 MET HA 31 MET HG3 3.89 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= 415, 421, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 31 MET HA 31 MET QE 3.08 (#peak 4184)
&rst
ixpk= 4184, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 424, 425, 426,
&end
#
# 31 MET HA 33 LYS HN 5.04 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat= 415, 442, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 31 MET HA 34 ILE HN 4.45 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= 415, 464, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 MET HA 34 ILE HB 3.92 (#peak 4737)
&rst
ixpk= 4737, nxpk= 0, iat= 415, 468, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 31 MET HA 34 ILE QD1 3.33 (#peak 4795)
&rst
ixpk= 4795, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 477, 478, 479,
&end
#
# 31 MET HA 34 ILE QG2 4.05 (#peak 4060)
&rst
ixpk= 4060, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 470, 471, 472,
&end
#
# 31 MET HA 35 ALA QB 5.31 (#peak 515)
&rst
ixpk= 515, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 487, 488, 489,
&end
#
# 31 MET HB2 32 ASP HN 4.98 (#peak 431)
&rst
ixpk= 431, nxpk= 0, iat= 417, 430, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 31 MET HB2 35 ALA QB 5.08 (#peak 3802)
&rst
ixpk= 3802, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 487, 488, 489,
&end
#
# 31 MET HB3 31 MET QE 3.08 (#peak 4187)
&rst
ixpk= 4187, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 424, 425, 426,
&end
#
# 31 MET HG2 167 THR HA 5.90 (#peak 4833)
&rst
ixpk= 4833, nxpk= 0, iat= 420,2455, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 31 MET HG2 32 ASP HN 4.72 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= 420, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 31 MET HG3 32 ASP HN 5.33 (#peak 611)
&rst
ixpk= 611, nxpk= 0, iat= 421, 430, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 31 MET QE 165 LYS QG 2.88 (#peak 4190)
&rst
ixpk= 4190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 424, 425, 426,
igr2=2424,2425,
&end
#
# 31 MET QE 166 ASN HN 5.52 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat= -1,2439, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 424, 425, 426,
&end
#
# 31 MET QE 32 ASP HN 4.95 (#peak 4176)
&rst
ixpk= 4176, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 424, 425, 426,
&end
#
# 31 MET QE 34 ILE HN 4.84 (#peak 4192)
&rst
ixpk= 4192, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 424, 425, 426,
&end
#
# 31 MET QE 34 ILE QD1 2.50 (#peak 4191)
&rst
ixpk= 4191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 424, 425, 426,
igr2= 477, 478, 479,
&end
#
# 32 ASP HN 32 ASP HB2 3.46 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 32 ASP HN 32 ASP HB3 3.60 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 32 ASP HN 33 LYS HN 3.64 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= 430, 442, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 32 ASP HN 34 ILE HN 5.31 (#peak 614)
&rst
ixpk= 614, nxpk= 0, iat= 430, 464, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 32 ASP HA 35 ALA HN 4.57 (#peak 659)
&rst
ixpk= 659, nxpk= 0, iat= 432, 483, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 ASP HA 35 ALA QB 3.22 (#peak 3798)
&rst
ixpk= 3798, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 487, 488, 489,
&end
#
# 32 ASP HA 36 ASN HN 5.32 (#peak 2213)
&rst
ixpk= 2213, nxpk= 0, iat= 432, 493, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 32 ASP HB2 33 LYS HN 3.66 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat= 434, 442, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 32 ASP HB2 33 LYS HG2 4.34 (#peak 4268)
&rst
ixpk= 4268, nxpk= 0, iat= 434, 449, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 32 ASP HB3 33 LYS HN 3.92 (#peak 747)
&rst
ixpk= 747, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 32 ASP HB3 33 LYS HA 5.90 (#peak 2518)
&rst
ixpk= 2518, nxpk= 0, iat= 435, 444, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 32 ASP HB3 36 ASN HD22 5.28 (#peak 4244)
&rst
ixpk= 4244, nxpk= 0, iat= 435, 503, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 33 LYS HN 33 LYS HB2 3.62 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 33 LYS HN 33 LYS HB3 3.40 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 33 LYS HN 33 LYS HG2 4.08 (#peak 749)
&rst
ixpk= 749, nxpk= 0, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 33 LYS HN 33 LYS HG3 4.35 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 33 LYS HN 33 LYS QD 3.68 (#peak 3697)
&rst
ixpk= 3697, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 452, 453,
&end
#
# 33 LYS HN 33 LYS QE 4.55 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 455, 456,
&end
#
# 33 LYS HN 34 ILE HN 3.97 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 33 LYS HN 34 ILE HB 5.06 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat= 442, 468, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 33 LYS HN 54 ASN HD21 5.90 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= 442, 756, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 33 LYS HA 33 LYS HG2 3.76 (#peak 5305)
&rst
ixpk= 5305, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 33 LYS HA 33 LYS HG3 4.21 (#peak 5306)
&rst
ixpk= 5306, nxpk= 0, iat= 444, 450, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 33 LYS HA 33 LYS QD 4.41 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 452, 453,
&end
#
# 33 LYS HA 33 LYS QE 5.90 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 455, 456,
&end
#
# 33 LYS HA 36 ASN HN 3.99 (#peak 1158)
&rst
ixpk= 1158, nxpk= 0, iat= 444, 493, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 33 LYS HA 36 ASN HB2 3.71 (#peak 4604)
&rst
ixpk= 4604, nxpk= 0, iat= 444, 497, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 33 LYS HA 36 ASN HB3 4.41 (#peak 3051)
&rst
ixpk= 3051, nxpk= 0, iat= 444, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 33 LYS HA 36 ASN HD21 5.47 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= 444, 502, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 33 LYS HA 36 ASN HD22 5.63 (#peak 1302)
&rst
ixpk= 1302, nxpk= 0, iat= 444, 503, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 33 LYS HB2 33 LYS QE 4.34 (#peak 344)
&rst
ixpk= 344, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 455, 456,
&end
#
# 33 LYS HB2 34 ILE HN 4.89 (#peak 1268)
&rst
ixpk= 1268, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 33 LYS HB2 34 ILE HA 5.42 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= 446, 466, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 33 LYS HB3 33 LYS QD 3.16 (#peak 1137)
&rst
ixpk= 1137, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 452, 453,
&end
#
# 33 LYS HB3 33 LYS QE 4.11 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 455, 456,
&end
#
# 33 LYS HB3 34 ILE HN 4.36 (#peak 326)
&rst
ixpk= 326, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 33 LYS HG2 33 LYS QD 2.59 (#peak 3814)
&rst
ixpk= 3814, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 452, 453,
&end
#
# 33 LYS HG2 34 ILE HB 5.37 (#peak 4685)
&rst
ixpk= 4685, nxpk= 0, iat= 449, 468, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 33 LYS HG2 34 ILE HG13 4.64 (#peak 2218)
&rst
ixpk= 2218, nxpk= 0, iat= 449, 475, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 33 LYS HG2 37 GLU HG2 5.77 (#peak 3807)
&rst
ixpk= 3807, nxpk= 0, iat= 449, 514, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 33 LYS HG3 33 LYS QE 3.60 (#peak 2206)
&rst
ixpk= 2206, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 455, 456,
&end
#
# 33 LYS HG3 34 ILE HN 4.67 (#peak 3929)
&rst
ixpk= 3929, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 33 LYS HG3 37 GLU HG2 5.22 (#peak 4953)
&rst
ixpk= 4953, nxpk= 0, iat= 450, 514, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 33 LYS HG3 54 ASN HD21 4.80 (#peak 3924)
&rst
ixpk= 3924, nxpk= 0, iat= 450, 756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 33 LYS QD 33 LYS QE 2.67 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 452, 453,
igr2= 455, 456,
&end
#
# 33 LYS QD 54 ASN HB2 5.06 (#peak 4916)
&rst
ixpk= 4916, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 452, 453,
&end
#
# 33 LYS QE 54 ASN HD21 4.58 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 455, 456,
&end
#
# 34 ILE HN 34 ILE HB 3.65 (#peak 4736)
&rst
ixpk= 4736, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 34 ILE HN 34 ILE HG12 4.60 (#peak 1038)
&rst
ixpk= 1038, nxpk= 0, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 34 ILE HN 34 ILE HG13 4.93 (#peak 1059)
&rst
ixpk= 1059, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 34 ILE HN 34 ILE QD1 4.39 (#peak 4794)
&rst
ixpk= 4794, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 477, 478, 479,
&end
#
# 34 ILE HN 34 ILE QG2 4.30 (#peak 4059)
&rst
ixpk= 4059, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 470, 471, 472,
&end
#
# 34 ILE HN 35 ALA HN 4.04 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 ILE HN 37 GLU HG2 4.86 (#peak 4988)
&rst
ixpk= 4988, nxpk= 0, iat= 464, 514, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 34 ILE HN 52 PRO HG3 4.71 (#peak 3551)
&rst
ixpk= 3551, nxpk= 0, iat= 464, 728, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 34 ILE HA 34 ILE HG12 4.12 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 34 ILE HA 34 ILE HG13 3.37 (#peak 4254)
&rst
ixpk= 4254, nxpk= 0, iat= 466, 475, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 34 ILE HA 34 ILE QD1 3.83 (#peak 4790)
&rst
ixpk= 4790, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 477, 478, 479,
&end
#
# 34 ILE HA 34 ILE QG2 3.18 (#peak 4034)
&rst
ixpk= 4034, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 470, 471, 472,
&end
#
# 34 ILE HA 36 ASN HN 5.90 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat= 466, 493, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 34 ILE HA 37 GLU HN 3.80 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat= 466, 507, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 34 ILE HA 37 GLU HG2 3.41 (#peak 3240)
&rst
ixpk= 3240, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 34 ILE HA 37 GLU QB 4.32 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 511, 512,
&end
#
# 34 ILE HA 52 PRO HD2 5.46 (#peak 907)
&rst
ixpk= 907, nxpk= 0, iat= 466, 724, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 34 ILE HA 52 PRO HG2 4.85 (#peak 2762)
&rst
ixpk= 2762, nxpk= 0, iat= 466, 727, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 34 ILE HB 34 ILE QD1 2.98 (#peak 4797)
&rst
ixpk= 4797, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 477, 478, 479,
&end
#
# 34 ILE HB 35 ALA HN 3.71 (#peak 4735)
&rst
ixpk= 4735, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 34 ILE HB 35 ALA HA 4.89 (#peak 2526)
&rst
ixpk= 2526, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 34 ILE HB 38 LEU QD1 5.10 (#peak 4740)
&rst
ixpk= 4740, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 531, 532, 533,
&end
#
# 34 ILE HG12 55 ALA QB 4.15 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 765, 766, 767,
&end
#
# 34 ILE HG13 52 PRO HB3 5.22 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat= 475, 731, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 34 ILE HG13 55 ALA QB 4.08 (#peak 1058)
&rst
ixpk= 1058, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 765, 766, 767,
&end
#
# 34 ILE QD1 52 PRO HB2 4.93 (#peak 4796)
&rst
ixpk= 4796, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 52 PRO HB3 5.39 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 52 PRO HD2 3.96 (#peak 1978)
&rst
ixpk= 1978, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 52 PRO HD3 4.66 (#peak 2692)
&rst
ixpk= 2692, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 52 PRO HG3 4.37 (#peak 1400)
&rst
ixpk= 1400, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 54 ASN HN 5.31 (#peak 1330)
&rst
ixpk= 1330, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 54 ASN HD21 4.47 (#peak 4772)
&rst
ixpk= 4772, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 55 ALA HN 3.96 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 55 ALA HA 3.54 (#peak 1703)
&rst
ixpk= 1703, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 477, 478, 479,
&end
#
# 34 ILE QD1 55 ALA QB 2.59 (#peak 2646)
&rst
ixpk= 2646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 477, 478, 479,
igr2= 765, 766, 767,
&end
#
# 34 ILE QD1 56 LYS HN 4.17 (#peak 4807)
&rst
ixpk= 4807, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 477, 478, 479,
&end
#
# 34 ILE QG2 35 ALA HN 3.60 (#peak 4058)
&rst
ixpk= 4058, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 470, 471, 472,
&end
#
# 34 ILE QG2 35 ALA HA 4.15 (#peak 726)
&rst
ixpk= 726, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 470, 471, 472,
&end
#
# 34 ILE QG2 35 ALA QB 4.02 (#peak 3768)
&rst
ixpk= 3768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 470, 471, 472,
igr2= 487, 488, 489,
&end
#
# 34 ILE QG2 38 LEU QD1 2.90 (#peak 2044)
&rst
ixpk= 2044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 470, 471, 472,
igr2= 531, 532, 533,
&end
#
# 34 ILE QG2 38 LEU QD2 3.38 (#peak 4575)
&rst
ixpk= 4575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 470, 471, 472,
igr2= 535, 536, 537,
&end
#
# 34 ILE QG2 48 VAL QG2 5.76 (#peak 5378)
&rst
ixpk= 5378, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 470, 471, 472,
igr2= 675, 676, 677,
&end
#
# 34 ILE QG2 52 PRO HD2 4.15 (#peak 4035)
&rst
ixpk= 4035, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 470, 471, 472,
&end
#
# 34 ILE QG2 52 PRO HG2 4.61 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 470, 471, 472,
&end
#
# 34 ILE QG2 55 ALA QB 3.76 (#peak 4063)
&rst
ixpk= 4063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 470, 471, 472,
igr2= 765, 766, 767,
&end
#
# 35 ALA HN 35 ALA QB 2.74 (#peak 3764)
&rst
ixpk= 3764, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 487, 488, 489,
&end
#
# 35 ALA HN 36 ASN HN 3.73 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= 483, 493, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 35 ALA HA 165 LYS QE 4.75 (#peak 2535)
&rst
ixpk= 2535, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2430,2431,
&end
#
# 35 ALA HA 38 LEU HB2 3.84 (#peak 3584)
&rst
ixpk= 3584, nxpk= 0, iat= 485, 526, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 35 ALA HA 38 LEU HG 4.58 (#peak 2527)
&rst
ixpk= 2527, nxpk= 0, iat= 485, 529, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 35 ALA HA 38 LEU QD1 3.47 (#peak 2040)
&rst
ixpk= 2040, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 531, 532, 533,
&end
#
# 35 ALA HA 38 LEU QD2 4.81 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 535, 536, 537,
&end
#
# 35 ALA HA 39 GLU HG2 5.90 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= 485, 548, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 35 ALA HA 39 GLU QB 5.40 (#peak 3381)
&rst
ixpk= 3381, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 545, 546,
&end
#
# 35 ALA QB 165 LYS QE 4.18 (#peak 3767)
&rst
ixpk= 3767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 487, 488, 489,
igr2=2430,2431,
&end
#
# 35 ALA QB 36 ASN HN 3.18 (#peak 3741)
&rst
ixpk= 3741, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 487, 488, 489,
&end
#
# 35 ALA QB 36 ASN HA 4.16 (#peak 2159)
&rst
ixpk= 2159, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 487, 488, 489,
&end
#
# 35 ALA QB 36 ASN HD21 4.54 (#peak 3678)
&rst
ixpk= 3678, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 487, 488, 489,
&end
#
# 35 ALA QB 36 ASN HD22 4.43 (#peak 3784)
&rst
ixpk= 3784, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 487, 488, 489,
&end
#
# 35 ALA QB 39 GLU QB 5.21 (#peak 3397)
&rst
ixpk= 3397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 487, 488, 489,
igr2= 545, 546,
&end
#
# 36 ASN HN 36 ASN HB2 3.38 (#peak 4576)
&rst
ixpk= 4576, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 36 ASN HN 36 ASN HB3 3.63 (#peak 4579)
&rst
ixpk= 4579, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 36 ASN HN 36 ASN HD21 4.91 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat= 493, 502, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 36 ASN HN 36 ASN HD22 5.07 (#peak 1156)
&rst
ixpk= 1156, nxpk= 0, iat= 493, 503, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 36 ASN HN 37 GLU HN 3.95 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat= 493, 507, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 36 ASN HA 36 ASN HB3 2.86 (#peak 2173)
&rst
ixpk= 2173, nxpk= 0, iat= 495, 498, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 36 ASN HA 36 ASN HD21 4.47 (#peak 2170)
&rst
ixpk= 2170, nxpk= 0, iat= 495, 502, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 36 ASN HA 36 ASN HD22 5.02 (#peak 2171)
&rst
ixpk= 2171, nxpk= 0, iat= 495, 503, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 36 ASN HA 37 GLU HA 5.53 (#peak 2480)
&rst
ixpk= 2480, nxpk= 0, iat= 495, 509, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 36 ASN HA 38 LEU HB2 5.87 (#peak 2180)
&rst
ixpk= 2180, nxpk= 0, iat= 495, 526, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 36 ASN HA 39 GLU HN 3.77 (#peak 512)
&rst
ixpk= 512, nxpk= 0, iat= 495, 541, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 36 ASN HA 39 GLU HG2 4.73 (#peak 2175)
&rst
ixpk= 2175, nxpk= 0, iat= 495, 548, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 36 ASN HA 39 GLU HG3 4.65 (#peak 3328)
&rst
ixpk= 3328, nxpk= 0, iat= 495, 549, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 36 ASN HA 39 GLU QB 3.68 (#peak 514)
&rst
ixpk= 514, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 545, 546,
&end
#
# 36 ASN HA 40 THR HN 5.04 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat= 495, 556, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 36 ASN HA 40 THR QG2 5.16 (#peak 4000)
&rst
ixpk= 4000, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 562, 563, 564,
&end
#
# 36 ASN HB2 36 ASN HD21 3.77 (#peak 3003)
&rst
ixpk= 3003, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 36 ASN HB2 37 GLU HN 3.67 (#peak 4603)
&rst
ixpk= 4603, nxpk= 0, iat= 497, 507, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 36 ASN HB2 37 GLU QB 5.23 (#peak 4578)
&rst
ixpk= 4578, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 511, 512,
&end
#
# 36 ASN HB3 37 GLU HN 3.67 (#peak 4580)
&rst
ixpk= 4580, nxpk= 0, iat= 498, 507, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 36 ASN HB3 40 THR HN 5.53 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= 498, 556, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 36 ASN HD22 39 GLU QB 5.87 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 545, 546,
&end
#
# 37 GLU HN 37 GLU HB2 3.34 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 37 GLU HN 37 GLU HG2 3.86 (#peak 4987)
&rst
ixpk= 4987, nxpk= 0, iat= 507, 514, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 GLU HN 37 GLU HG3 4.45 (#peak 675)
&rst
ixpk= 675, nxpk= 0, iat= 507, 515, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 37 GLU HN 37 GLU QB 3.51 (#peak 1073)
&rst
ixpk= 1073, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 511, 512,
&end
#
# 37 GLU HN 38 LEU QD2 5.90 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 535, 536, 537,
&end
#
# 37 GLU HA 37 GLU HG2 3.75 (#peak 5005)
&rst
ixpk= 5005, nxpk= 0, iat= 509, 514, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 37 GLU HA 37 GLU HG3 3.60 (#peak 3371)
&rst
ixpk= 3371, nxpk= 0, iat= 509, 515, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 37 GLU HA 40 THR HB 4.60 (#peak 5274)
&rst
ixpk= 5274, nxpk= 0, iat= 509, 560, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 GLU HA 40 THR QG2 4.18 (#peak 2716)
&rst
ixpk= 2716, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 562, 563, 564,
&end
#
# 37 GLU QB 37 GLU HG3 2.82 (#peak 4966)
&rst
ixpk= 4966, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 511, 512,
&end
#
# 37 GLU QB 38 LEU HN 4.59 (#peak 3467)
&rst
ixpk= 3467, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 511, 512,
&end
#
# 37 GLU QB 38 LEU HG 3.77 (#peak 1712)
&rst
ixpk= 1712, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 511, 512,
&end
#
# 37 GLU QB 38 LEU QD1 4.64 (#peak 1034)
&rst
ixpk= 1034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 511, 512,
igr2= 531, 532, 533,
&end
#
# 37 GLU QB 38 LEU QD2 4.22 (#peak 3464)
&rst
ixpk= 3464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 511, 512,
igr2= 535, 536, 537,
&end
#
# 38 LEU HN 38 LEU HB2 3.64 (#peak 4005)
&rst
ixpk= 4005, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 38 LEU HN 38 LEU HB3 3.72 (#peak 4009)
&rst
ixpk= 4009, nxpk= 0, iat= 522, 527, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 38 LEU HN 38 LEU HG 3.68 (#peak 1692)
&rst
ixpk= 1692, nxpk= 0, iat= 522, 529, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 38 LEU HN 38 LEU QD1 3.88 (#peak 4461)
&rst
ixpk= 4461, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 531, 532, 533,
&end
#
# 38 LEU HN 38 LEU QD2 3.98 (#peak 2485)
&rst
ixpk= 2485, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 535, 536, 537,
&end
#
# 38 LEU HN 43 TYR QD 5.59 (#peak 575)
&rst
ixpk= 575, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 599, 608,
&end
#
# 38 LEU HA 38 LEU QD1 4.00 (#peak 2431)
&rst
ixpk= 2431, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 531, 532, 533,
&end
#
# 38 LEU HA 38 LEU QD2 2.90 (#peak 2486)
&rst
ixpk= 2486, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 535, 536, 537,
&end
#
# 38 LEU HA 43 TYR HB2 4.59 (#peak 675)
&rst
ixpk= 675, nxpk= 0, iat= 524, 595, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 38 LEU HA 43 TYR QD 3.79 (#peak 2427)
&rst
ixpk= 2427, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 599, 608,
&end
#
# 38 LEU HA 43 TYR QE 3.23 (#peak 2428)
&rst
ixpk= 2428, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 601, 606,
&end
#
# 38 LEU HA 48 VAL QG2 4.92 (#peak 4711)
&rst
ixpk= 4711, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 675, 676, 677,
&end
#
# 38 LEU HB2 38 LEU QD1 3.50 (#peak 3587)
&rst
ixpk= 3587, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 531, 532, 533,
&end
#
# 38 LEU HB2 38 LEU QD2 4.03 (#peak 4004)
&rst
ixpk= 4004, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 535, 536, 537,
&end
#
# 38 LEU HB2 43 TYR QD 5.84 (#peak 3582)
&rst
ixpk= 3582, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 599, 608,
&end
#
# 38 LEU HB3 38 LEU QD1 3.60 (#peak 4011)
&rst
ixpk= 4011, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 531, 532, 533,
&end
#
# 38 LEU HB3 38 LEU QD2 3.99 (#peak 3891)
&rst
ixpk= 3891, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 535, 536, 537,
&end
#
# 38 LEU HB3 39 GLU HN 4.22 (#peak 821)
&rst
ixpk= 821, nxpk= 0, iat= 527, 541, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 38 LEU HB3 39 GLU QB 5.71 (#peak 3384)
&rst
ixpk= 3384, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 545, 546,
&end
#
# 38 LEU HB3 43 TYR HB2 5.90 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat= 527, 595, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 38 LEU HG 165 LYS QE 4.22 (#peak 1640)
&rst
ixpk= 1640, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2430,2431,
&end
#
# 38 LEU HG 48 VAL QG2 5.90 (#peak 3722)
&rst
ixpk= 3722, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 675, 676, 677,
&end
#
# 38 LEU QD1 163 TYR HB3 4.53 (#peak 4334)
&rst
ixpk= 4334, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 531, 532, 533,
&end
#
# 38 LEU QD1 163 TYR QD 4.49 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 531, 532, 533,
igr2=2390,2399,
&end
#
# 38 LEU QD1 165 LYS QE 4.77 (#peak 2913)
&rst
ixpk= 2913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 531, 532, 533,
igr2=2430,2431,
&end
#
# 38 LEU QD1 39 GLU HN 4.73 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 531, 532, 533,
&end
#
# 38 LEU QD1 43 TYR QE 4.42 (#peak 4463)
&rst
ixpk= 4463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 531, 532, 533,
igr2= 601, 606,
&end
#
# 38 LEU QD1 48 VAL QG2 3.90 (#peak 2046)
&rst
ixpk= 2046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 531, 532, 533,
igr2= 675, 676, 677,
&end
#
# 38 LEU QD2 163 TYR HB2 4.85 (#peak 2471)
&rst
ixpk= 2471, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 535, 536, 537,
&end
#
# 38 LEU QD2 163 TYR HB3 5.29 (#peak 4310)
&rst
ixpk= 4310, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 535, 536, 537,
&end
#
# 38 LEU QD2 165 LYS QD 5.04 (#peak 1046)
&rst
ixpk= 1046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 535, 536, 537,
igr2=2427,2428,
&end
#
# 38 LEU QD2 40 THR HN 5.83 (#peak 1399)
&rst
ixpk= 1399, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 535, 536, 537,
&end
#
# 38 LEU QD2 43 TYR HB3 4.85 (#peak 4554)
&rst
ixpk= 4554, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 535, 536, 537,
&end
#
# 38 LEU QD2 43 TYR QD 4.03 (#peak 4560)
&rst
ixpk= 4560, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 535, 536, 537,
igr2= 599, 608,
&end
#
# 38 LEU QD2 43 TYR QE 4.65 (#peak 2480)
&rst
ixpk= 2480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 535, 536, 537,
igr2= 601, 606,
&end
#
# 38 LEU QD2 48 VAL QG2 3.61 (#peak 2491)
&rst
ixpk= 2491, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 535, 536, 537,
igr2= 675, 676, 677,
&end
#
# 38 LEU QD2 50 VAL HN 5.19 (#peak 4559)
&rst
ixpk= 4559, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 535, 536, 537,
&end
#
# 38 LEU QD2 52 PRO HD3 4.92 (#peak 2694)
&rst
ixpk= 2694, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 535, 536, 537,
&end
#
# 39 GLU HN 39 GLU HG2 3.85 (#peak 826)
&rst
ixpk= 826, nxpk= 0, iat= 541, 548, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 39 GLU HN 39 GLU HG3 3.85 (#peak 5077)
&rst
ixpk= 5077, nxpk= 0, iat= 541, 549, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 39 GLU HN 39 GLU QB 3.10 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 545, 546,
&end
#
# 39 GLU HN 40 THR HN 3.94 (#peak 1369)
&rst
ixpk= 1369, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 39 GLU HA 39 GLU HG3 4.24 (#peak 15)
&rst
ixpk= 15, nxpk= 0, iat= 543, 549, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 39 GLU HA 39 GLU QB 2.97 (#peak 3391)
&rst
ixpk= 3391, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 545, 546,
&end
#
# 39 GLU HG2 40 THR HN 4.46 (#peak 1374)
&rst
ixpk= 1374, nxpk= 0, iat= 548, 556, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 39 GLU HG3 40 THR HA 4.95 (#peak 4345)
&rst
ixpk= 4345, nxpk= 0, iat= 549, 558, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 39 GLU QB 39 GLU HG2 2.74 (#peak 5047)
&rst
ixpk= 5047, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr1= 545, 546,
&end
#
# 39 GLU QB 39 GLU HG3 2.61 (#peak 1001)
&rst
ixpk= 1001, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr1= 545, 546,
&end
#
# 39 GLU QB 40 THR HN 3.94 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 545, 546,
&end
#
# 39 GLU QB 40 THR HA 5.00 (#peak 4316)
&rst
ixpk= 4316, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 545, 546,
&end
#
# 40 THR HN 40 THR QG2 3.41 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 562, 563, 564,
&end
#
# 40 THR HN 41 GLY HN 4.30 (#peak 1370)
&rst
ixpk= 1370, nxpk= 0, iat= 556, 570, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 THR HN 41 GLY HA2 5.61 (#peak 1396)
&rst
ixpk= 1396, nxpk= 0, iat= 556, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 40 THR HN 41 GLY HA3 5.90 (#peak 1397)
&rst
ixpk= 1397, nxpk= 0, iat= 556, 573, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 40 THR HN 43 TYR QE 5.90 (#peak 1371)
&rst
ixpk= 1371, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 601, 606,
&end
#
# 40 THR HA 40 THR QG2 3.23 (#peak 4346)
&rst
ixpk= 4346, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 562, 563, 564,
&end
#
# 40 THR HB 41 GLY HN 5.43 (#peak 828)
&rst
ixpk= 828, nxpk= 0, iat= 560, 570, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 THR QG2 41 GLY HN 4.09 (#peak 2757)
&rst
ixpk= 2757, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 562, 563, 564,
&end
#
# 40 THR QG2 41 GLY HA3 3.84 (#peak 2739)
&rst
ixpk= 2739, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 562, 563, 564,
&end
#
# 40 THR QG2 42 ASN HN 5.90 (#peak 1609)
&rst
ixpk= 1609, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 562, 563, 564,
&end
#
# 40 THR QG2 43 TYR QE 5.11 (#peak 3987)
&rst
ixpk= 3987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 562, 563, 564,
igr2= 601, 606,
&end
#
# 41 GLY HN 43 TYR QD 5.90 (#peak 1488)
&rst
ixpk= 1488, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 599, 608,
&end
#
# 41 GLY HN 43 TYR QE 5.76 (#peak 1496)
&rst
ixpk= 1496, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 601, 606,
&end
#
# 41 GLY HA2 43 TYR QD 5.21 (#peak 2623)
&rst
ixpk= 2623, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 599, 608,
&end
#
# 41 GLY HA2 43 TYR QE 4.55 (#peak 2902)
&rst
ixpk= 2902, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 601, 606,
&end
#
# 41 GLY HA3 43 TYR QD 4.60 (#peak 2738)
&rst
ixpk= 2738, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 599, 608,
&end
#
# 41 GLY HA3 43 TYR QE 4.14 (#peak 2728)
&rst
ixpk= 2728, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 601, 606,
&end
#
# 42 ASN HN 43 TYR HN 5.24 (#peak 1116)
&rst
ixpk= 1116, nxpk= 0, iat= 577, 591, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 42 ASN HA 42 ASN HD21 5.03 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= 579, 586, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 42 ASN HA 42 ASN HD22 4.86 (#peak 2092)
&rst
ixpk= 2092, nxpk= 0, iat= 579, 587, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 ASN HA 44 ALA HN 3.71 (#peak 532)
&rst
ixpk= 532, nxpk= 0, iat= 579, 612, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 42 ASN HB2 42 ASN HD21 3.85 (#peak 3028)
&rst
ixpk= 3028, nxpk= 0, iat= 581, 586, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 42 ASN HB2 45 GLY HN 4.95 (#peak 5464)
&rst
ixpk= 5464, nxpk= 0, iat= 581, 622, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 42 ASN HB3 42 ASN HD21 4.04 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 42 ASN HB3 42 ASN HD22 4.03 (#peak 3223)
&rst
ixpk= 3223, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 42 ASN HB3 43 TYR HN 4.58 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat= 582, 591, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 ASN HB3 45 GLY HN 5.39 (#peak 5465)
&rst
ixpk= 5465, nxpk= 0, iat= 582, 622, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 43 TYR HN 43 TYR HB2 3.94 (#peak 980)
&rst
ixpk= 980, nxpk= 0, iat= 591, 595, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 43 TYR HN 43 TYR HB3 3.78 (#peak 981)
&rst
ixpk= 981, nxpk= 0, iat= 591, 596, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 43 TYR HN 43 TYR QD 3.34 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 599, 608,
&end
#
# 43 TYR HN 43 TYR QE 4.72 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 601, 606,
&end
#
# 43 TYR HN 44 ALA HN 3.49 (#peak 421)
&rst
ixpk= 421, nxpk= 0, iat= 591, 612, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 43 TYR HA 43 TYR QD 3.29 (#peak 2329)
&rst
ixpk= 2329, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 599, 608,
&end
#
# 43 TYR HA 43 TYR QE 5.05 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 601, 606,
&end
#
# 43 TYR HA 45 GLY HN 4.21 (#peak 5186)
&rst
ixpk= 5186, nxpk= 0, iat= 593, 622, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 TYR HB2 44 ALA HN 5.17 (#peak 4633)
&rst
ixpk= 4633, nxpk= 0, iat= 595, 612, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 43 TYR HB2 45 GLY HN 5.39 (#peak 4655)
&rst
ixpk= 4655, nxpk= 0, iat= 595, 622, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 43 TYR HB2 48 VAL QG2 5.80 (#peak 1740)
&rst
ixpk= 1740, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 675, 676, 677,
&end
#
# 43 TYR HB3 44 ALA HN 5.35 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= 596, 612, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 43 TYR HB3 45 GLY HN 5.13 (#peak 4662)
&rst
ixpk= 4662, nxpk= 0, iat= 596, 622, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 43 TYR HB3 49 GLY HN 5.90 (#peak 1141)
&rst
ixpk= 1141, nxpk= 0, iat= 596, 681, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 43 TYR QD 44 ALA HN 5.31 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 599, 608,
&end
#
# 43 TYR QD 45 GLY HN 5.70 (#peak 1578)
&rst
ixpk= 1578, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 599, 608,
&end
#
# 43 TYR QD 48 VAL HA 4.75 (#peak 2835)
&rst
ixpk= 2835, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 599, 608,
&end
#
# 43 TYR QD 48 VAL QG1 4.65 (#peak 4602)
&rst
ixpk= 4602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 599, 608,
igr2= 671, 672, 673,
&end
#
# 43 TYR QD 48 VAL QG2 4.87 (#peak 3268)
&rst
ixpk= 3268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 599, 608,
igr2= 675, 676, 677,
&end
#
# 43 TYR QD 49 GLY HN 5.90 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 599, 608,
&end
#
# 43 TYR QE 48 VAL HA 4.35 (#peak 2836)
&rst
ixpk= 2836, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 601, 606,
&end
#
# 43 TYR QE 48 VAL QG1 4.89 (#peak 4603)
&rst
ixpk= 4603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 601, 606,
igr2= 671, 672, 673,
&end
#
# 43 TYR QE 49 GLY HN 4.39 (#peak 1305)
&rst
ixpk= 1305, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 601, 606,
&end
#
# 43 TYR QE 50 VAL HN 5.47 (#peak 709)
&rst
ixpk= 709, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 601, 606,
&end
#
# 44 ALA HN 44 ALA QB 3.39 (#peak 3942)
&rst
ixpk= 3942, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 616, 617, 618,
&end
#
# 44 ALA HN 45 GLY HN 5.34 (#peak 1577)
&rst
ixpk= 1577, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 44 ALA QB 155 ASN HD21 4.12 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat= -1,2278, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 616, 617, 618,
&end
#
# 44 ALA QB 155 ASN HD22 5.04 (#peak 1248)
&rst
ixpk= 1248, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 616, 617, 618,
&end
#
# 44 ALA QB 45 GLY HN 4.32 (#peak 686)
&rst
ixpk= 686, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 616, 617, 618,
&end
#
# 44 ALA QB 46 ASN HD22 5.90 (#peak 1592)
&rst
ixpk= 1592, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 616, 617, 618,
&end
#
# 45 GLY HA2 157 VAL QG1 4.29 (#peak 2818)
&rst
ixpk= 2818, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2301,2302,2303,
&end
#
# 45 GLY HA2 157 VAL QG2 3.73 (#peak 2822)
&rst
ixpk= 2822, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2305,2306,2307,
&end
#
# 45 GLY HA2 161 HIS HN 5.85 (#peak 2817)
&rst
ixpk= 2817, nxpk= 0, iat= 624,2349, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 45 GLY HA3 155 ASN HD22 4.81 (#peak 2595)
&rst
ixpk= 2595, nxpk= 0, iat= 625,2279, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 45 GLY HA3 157 VAL QG2 3.65 (#peak 2829)
&rst
ixpk= 2829, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2305,2306,2307,
&end
#
# 45 GLY HA3 161 HIS HN 5.57 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat= 625,2349, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 46 ASN HN 46 ASN HB2 4.04 (#peak 2961)
&rst
ixpk= 2961, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 46 ASN HN 46 ASN HD21 4.61 (#peak 996)
&rst
ixpk= 996, nxpk= 0, iat= 629, 638, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 46 ASN HN 47 LYS HN 5.51 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= 629, 643, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 46 ASN HA 157 VAL QG2 4.48 (#peak 5462)
&rst
ixpk= 5462, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2305,2306,2307,
&end
#
# 46 ASN HA 158 VAL HN 5.90 (#peak 1626)
&rst
ixpk= 1626, nxpk= 0, iat= 631,2311, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 46 ASN HA 46 ASN HD21 4.69 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat= 631, 638, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 46 ASN HA 46 ASN HD22 5.39 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= 631, 639, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 46 ASN HA 47 LYS HN 3.41 (#peak 1209)
&rst
ixpk= 1209, nxpk= 0, iat= 631, 643, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 46 ASN HB2 47 LYS HN 4.41 (#peak 4358)
&rst
ixpk= 4358, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 46 ASN HB3 46 ASN HD21 3.77 (#peak 4365)
&rst
ixpk= 4365, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 46 ASN HB3 46 ASN HD22 4.07 (#peak 4385)
&rst
ixpk= 4385, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 46 ASN HB3 47 LYS HN 4.34 (#peak 4362)
&rst
ixpk= 4362, nxpk= 0, iat= 634, 643, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 ASN HD22 157 VAL QG1 5.64 (#peak 1258)
&rst
ixpk= 1258, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=2301,2302,2303,
&end
#
# 46 ASN HD22 157 VAL QG2 5.90 (#peak 1593)
&rst
ixpk= 1593, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2305,2306,2307,
&end
#
# 47 LYS HN 47 LYS HB2 3.83 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 47 LYS HN 47 LYS HB3 3.99 (#peak 658)
&rst
ixpk= 658, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 47 LYS HN 47 LYS HG3 4.74 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 47 LYS HN 47 LYS QD 4.62 (#peak 1089)
&rst
ixpk= 1089, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 653, 654,
&end
#
# 47 LYS HN 48 VAL HN 5.14 (#peak 674)
&rst
ixpk= 674, nxpk= 0, iat= 643, 665, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 47 LYS HA 161 HIS HA 5.90 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= 645,2351, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 47 LYS HA 161 HIS HB2 2.96 (#peak 3071)
&rst
ixpk= 3071, nxpk= 0, iat= 645,2353, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 47 LYS HA 161 HIS HB3 5.05 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat= 645,2354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 47 LYS HA 161 HIS HD2 4.17 (#peak 2707)
&rst
ixpk= 2707, nxpk= 0, iat= 645,2362, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 47 LYS HA 163 TYR QE 4.66 (#peak 244)
&rst
ixpk= 244, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2392,2397,
&end
#
# 47 LYS HA 47 LYS HB2 3.01 (#peak 3948)
&rst
ixpk= 3948, nxpk= 0, iat= 645, 647, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 47 LYS HA 47 LYS HG3 3.80 (#peak 4229)
&rst
ixpk= 4229, nxpk= 0, iat= 645, 651, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 LYS HA 47 LYS QE 5.46 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 656, 657,
&end
#
# 47 LYS HA 48 VAL HN 3.51 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= 645, 665, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 47 LYS HA 48 VAL HA 5.55 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= 645, 667, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 47 LYS HA 48 VAL HB 5.12 (#peak 745)
&rst
ixpk= 745, nxpk= 0, iat= 645, 669, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 47 LYS HA 48 VAL QG2 4.60 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 675, 676, 677,
&end
#
# 47 LYS HB2 161 HIS HD2 4.69 (#peak 3961)
&rst
ixpk= 3961, nxpk= 0, iat= 647,2362, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 47 LYS HB2 47 LYS QE 4.38 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 656, 657,
&end
#
# 47 LYS HB3 161 HIS HB2 4.49 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat= 648,2353, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 47 LYS HB3 161 HIS HD2 4.33 (#peak 4451)
&rst
ixpk= 4451, nxpk= 0, iat= 648,2362, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 47 LYS HB3 163 TYR QE 5.26 (#peak 4465)
&rst
ixpk= 4465, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2392,2397,
&end
#
# 47 LYS HB3 47 LYS QE 4.44 (#peak 3065)
&rst
ixpk= 3065, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 656, 657,
&end
#
# 47 LYS HB3 48 VAL HN 4.43 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= 648, 665, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 47 LYS HG2 47 LYS QE 3.32 (#peak 3822)
&rst
ixpk= 3822, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 656, 657,
&end
#
# 47 LYS HG2 48 VAL HN 4.83 (#peak 4430)
&rst
ixpk= 4430, nxpk= 0, iat= 650, 665, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 47 LYS HG3 47 LYS QE 3.79 (#peak 3821)
&rst
ixpk= 3821, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 656, 657,
&end
#
# 47 LYS HG3 48 VAL HN 4.78 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat= 651, 665, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 47 LYS QD 163 TYR QE 5.90 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 653, 654,
igr2=2392,2397,
&end
#
# 47 LYS QD 47 LYS QE 2.77 (#peak 3820)
&rst
ixpk= 3820, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 653, 654,
igr2= 656, 657,
&end
#
# 47 LYS QE 161 HIS HE1 4.97 (#peak 987)
&rst
ixpk= 987, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 656, 657,
&end
#
# 47 LYS QE 48 VAL HN 5.80 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 656, 657,
&end
#
# 47 LYS QE 48 VAL QG1 5.90 (#peak 4592)
&rst
ixpk= 4592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 656, 657,
igr2= 671, 672, 673,
&end
#
# 47 LYS QE 48 VAL QG2 5.90 (#peak 986)
&rst
ixpk= 986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 656, 657,
igr2= 675, 676, 677,
&end
#
# 48 VAL HN 161 HIS HD2 5.90 (#peak 104)
&rst
ixpk= 104, nxpk= 0, iat= 665,2362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 48 VAL HN 163 TYR QD 5.69 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2390,2399,
&end
#
# 48 VAL HN 163 TYR QE 4.92 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2392,2397,
&end
#
# 48 VAL HN 48 VAL HB 3.79 (#peak 3960)
&rst
ixpk= 3960, nxpk= 0, iat= 665, 669, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 48 VAL HN 48 VAL QG1 3.96 (#peak 3023)
&rst
ixpk= 3023, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 671, 672, 673,
&end
#
# 48 VAL HN 48 VAL QG2 3.79 (#peak 3325)
&rst
ixpk= 3325, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 675, 676, 677,
&end
#
# 48 VAL HN 49 GLY HN 5.90 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 48 VAL HA 163 TYR QD 5.19 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2390,2399,
&end
#
# 48 VAL HA 48 VAL QG1 3.36 (#peak 3025)
&rst
ixpk= 3025, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 671, 672, 673,
&end
#
# 48 VAL HA 48 VAL QG2 3.90 (#peak 4706)
&rst
ixpk= 4706, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 675, 676, 677,
&end
#
# 48 VAL HA 49 GLY HA2 4.83 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat= 667, 683, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 48 VAL HA 50 VAL HN 4.91 (#peak 2834)
&rst
ixpk= 2834, nxpk= 0, iat= 667, 688, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 48 VAL HB 163 TYR QD 5.08 (#peak 203)
&rst
ixpk= 203, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2390,2399,
&end
#
# 48 VAL HB 163 TYR QE 5.30 (#peak 3953)
&rst
ixpk= 3953, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2392,2397,
&end
#
# 48 VAL HB 49 GLY HN 5.46 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 48 VAL HB 50 VAL HN 5.56 (#peak 717)
&rst
ixpk= 717, nxpk= 0, iat= 669, 688, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 48 VAL HB 51 LEU QD2 4.21 (#peak 717)
&rst
ixpk= 717, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 717, 718, 719,
&end
#
# 48 VAL QG1 163 TYR QD 4.74 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 671, 672, 673,
igr2=2390,2399,
&end
#
# 48 VAL QG1 163 TYR QE 5.14 (#peak 4595)
&rst
ixpk= 4595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 671, 672, 673,
igr2=2392,2397,
&end
#
# 48 VAL QG1 49 GLY HN 3.97 (#peak 3022)
&rst
ixpk= 3022, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG1 50 VAL HN 3.50 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG1 50 VAL QQG 4.44 (#peak 1685)
&rst
ixpk= 1685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 671, 672, 673,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 48 VAL QG1 51 LEU HN 4.57 (#peak 3027)
&rst
ixpk= 3027, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG1 51 LEU HA 3.32 (#peak 3056)
&rst
ixpk= 3056, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG1 51 LEU HG 4.18 (#peak 4596)
&rst
ixpk= 4596, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG1 51 LEU QD1 4.97 (#peak 4597)
&rst
ixpk= 4597, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 671, 672, 673,
igr2= 713, 714, 715,
&end
#
# 48 VAL QG1 51 LEU QD2 3.02 (#peak 2506)
&rst
ixpk= 2506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 671, 672, 673,
igr2= 717, 718, 719,
&end
#
# 48 VAL QG1 52 PRO HD2 4.94 (#peak 4606)
&rst
ixpk= 4606, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG1 52 PRO HD3 4.40 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 671, 672, 673,
&end
#
# 48 VAL QG2 163 TYR HB2 5.84 (#peak 3060)
&rst
ixpk= 3060, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 675, 676, 677,
&end
#
# 48 VAL QG2 163 TYR QD 4.00 (#peak 4710)
&rst
ixpk= 4710, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 675, 676, 677,
igr2=2390,2399,
&end
#
# 48 VAL QG2 163 TYR QE 4.04 (#peak 3287)
&rst
ixpk= 3287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 675, 676, 677,
igr2=2392,2397,
&end
#
# 48 VAL QG2 49 GLY HN 5.17 (#peak 1604)
&rst
ixpk= 1604, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 675, 676, 677,
&end
#
# 48 VAL QG2 50 VAL HN 5.60 (#peak 4702)
&rst
ixpk= 4702, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 675, 676, 677,
&end
#
# 48 VAL QG2 51 LEU HA 5.12 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 675, 676, 677,
&end
#
# 48 VAL QG2 51 LEU QD2 4.47 (#peak 4706)
&rst
ixpk= 4706, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 675, 676, 677,
igr2= 717, 718, 719,
&end
#
# 49 GLY HN 50 VAL HN 3.84 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= 681, 688, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 49 GLY HN 50 VAL QQG 5.21 (#peak 1169)
&rst
ixpk= 1169, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 49 GLY HA2 50 VAL QQG 4.48 (#peak 5453)
&rst
ixpk= 5453, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 49 GLY HA3 50 VAL QQG 4.21 (#peak 2577)
&rst
ixpk= 2577, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 49 GLY QA 50 VAL HN 3.29 (#peak 713)
&rst
ixpk= 713, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 683, 684,
&end
#
# 50 VAL HN 50 VAL HB 3.43 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 50 VAL HN 50 VAL QQG 3.06 (#peak 718)
&rst
ixpk= 718, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 50 VAL HN 51 LEU HN 4.36 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat= 688, 704, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 50 VAL HN 51 LEU QD2 4.89 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 717, 718, 719,
&end
#
# 50 VAL HA 50 VAL QQG 2.62 (#peak 2498)
&rst
ixpk= 2498, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 50 VAL HA 51 LEU HN 2.86 (#peak 4859)
&rst
ixpk= 4859, nxpk= 0, iat= 690, 704, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 50 VAL HA 51 LEU HG 4.41 (#peak 4870)
&rst
ixpk= 4870, nxpk= 0, iat= 690, 711, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 50 VAL HA 51 LEU QD2 5.20 (#peak 4872)
&rst
ixpk= 4872, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 717, 718, 719,
&end
#
# 50 VAL HB 51 LEU HN 4.33 (#peak 97)
&rst
ixpk= 97, nxpk= 0, iat= 692, 704, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 50 VAL QQG 51 LEU HN 3.19 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 694, 695, 696, 698, 699, 700,
&end
#
# 50 VAL QQG 51 LEU HA 4.09 (#peak 1169)
&rst
ixpk= 1169, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 694, 695, 696, 698, 699, 700,
&end
#
# 51 LEU HN 51 LEU HB2 3.66 (#peak 4122)
&rst
ixpk= 4122, nxpk= 0, iat= 704, 708, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 51 LEU HN 51 LEU HB3 3.85 (#peak 99)
&rst
ixpk= 99, nxpk= 0, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 51 LEU HN 51 LEU HG 3.20 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat= 704, 711, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 LEU HN 51 LEU QD1 3.94 (#peak 2002)
&rst
ixpk= 2002, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 713, 714, 715,
&end
#
# 51 LEU HN 51 LEU QD2 3.70 (#peak 2498)
&rst
ixpk= 2498, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 717, 718, 719,
&end
#
# 51 LEU HN 52 PRO HD2 4.99 (#peak 96)
&rst
ixpk= 96, nxpk= 0, iat= 704, 724, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 51 LEU HN 52 PRO HD3 5.27 (#peak 2006)
&rst
ixpk= 2006, nxpk= 0, iat= 704, 725, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 51 LEU HA 51 LEU HG 3.72 (#peak 1678)
&rst
ixpk= 1678, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 51 LEU HA 51 LEU QD2 2.81 (#peak 2500)
&rst
ixpk= 2500, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 717, 718, 719,
&end
#
# 51 LEU HA 52 PRO HD2 3.31 (#peak 1972)
&rst
ixpk= 1972, nxpk= 0, iat= 706, 724, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 51 LEU HA 52 PRO HD3 3.14 (#peak 2696)
&rst
ixpk= 2696, nxpk= 0, iat= 706, 725, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 51 LEU HA 55 ALA QB 3.82 (#peak 2683)
&rst
ixpk= 2683, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 765, 766, 767,
&end
#
# 51 LEU HB2 51 LEU QD1 3.27 (#peak 4127)
&rst
ixpk= 4127, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 713, 714, 715,
&end
#
# 51 LEU HB2 51 LEU QD2 3.77 (#peak 4128)
&rst
ixpk= 4128, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 717, 718, 719,
&end
#
# 51 LEU HB2 52 PRO HD2 4.25 (#peak 4124)
&rst
ixpk= 4124, nxpk= 0, iat= 708, 724, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 51 LEU HB2 52 PRO HD3 5.13 (#peak 4123)
&rst
ixpk= 4123, nxpk= 0, iat= 708, 725, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 51 LEU HB3 51 LEU QD1 3.51 (#peak 4134)
&rst
ixpk= 4134, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 713, 714, 715,
&end
#
# 51 LEU HB3 51 LEU QD2 3.89 (#peak 4135)
&rst
ixpk= 4135, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 717, 718, 719,
&end
#
# 51 LEU HB3 52 PRO HD2 4.04 (#peak 4132)
&rst
ixpk= 4132, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 LEU HB3 52 PRO HD3 4.27 (#peak 4129)
&rst
ixpk= 4129, nxpk= 0, iat= 709, 725, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 51 LEU HG 52 PRO HD3 5.20 (#peak 1641)
&rst
ixpk= 1641, nxpk= 0, iat= 711, 725, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 51 LEU QD1 56 LYS HA 4.72 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714, 715,
&end
#
# 51 LEU QD1 57 GLU HG2 3.56 (#peak 2004)
&rst
ixpk= 2004, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 713, 714, 715,
&end
#
# 51 LEU QD2 163 TYR QE 4.23 (#peak 4419)
&rst
ixpk= 4419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 717, 718, 719,
igr2=2392,2397,
&end
#
# 51 LEU QD2 52 PRO HD2 4.38 (#peak 4420)
&rst
ixpk= 4420, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 717, 718, 719,
&end
#
# 51 LEU QD2 52 PRO HD3 3.34 (#peak 2501)
&rst
ixpk= 2501, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 717, 718, 719,
&end
#
# 51 LEU QD2 57 GLU HG2 4.62 (#peak 2507)
&rst
ixpk= 2507, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 717, 718, 719,
&end
#
# 52 PRO HA 53 ALA HN 3.24 (#peak 4564)
&rst
ixpk= 4564, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 52 PRO HA 53 ALA QB 4.27 (#peak 4538)
&rst
ixpk= 4538, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 741, 742, 743,
&end
#
# 52 PRO HA 55 ALA HN 4.94 (#peak 629)
&rst
ixpk= 629, nxpk= 0, iat= 733, 761, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 52 PRO HA 55 ALA QB 5.75 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 765, 766, 767,
&end
#
# 52 PRO HB2 53 ALA HN 4.28 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= 730, 737, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 52 PRO HB2 54 ASN HN 4.55 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 52 PRO HB2 55 ALA HN 5.18 (#peak 646)
&rst
ixpk= 646, nxpk= 0, iat= 730, 761, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 52 PRO HB2 55 ALA QB 4.15 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 765, 766, 767,
&end
#
# 52 PRO HB3 54 ASN HN 4.50 (#peak 1328)
&rst
ixpk= 1328, nxpk= 0, iat= 731, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 PRO HB3 55 ALA HN 4.77 (#peak 647)
&rst
ixpk= 647, nxpk= 0, iat= 731, 761, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 52 PRO HB3 55 ALA QB 4.27 (#peak 537)
&rst
ixpk= 537, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 765, 766, 767,
&end
#
# 52 PRO HD2 55 ALA QB 3.41 (#peak 2685)
&rst
ixpk= 2685, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 765, 766, 767,
&end
#
# 52 PRO HD3 55 ALA QB 3.29 (#peak 3963)
&rst
ixpk= 3963, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 765, 766, 767,
&end
#
# 52 PRO HG3 55 ALA QB 5.13 (#peak 1366)
&rst
ixpk= 1366, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 765, 766, 767,
&end
#
# 53 ALA HN 53 ALA QB 2.87 (#peak 3746)
&rst
ixpk= 3746, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 741, 742, 743,
&end
#
# 53 ALA HN 54 ASN HN 4.42 (#peak 1320)
&rst
ixpk= 1320, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 53 ALA HN 55 ALA HN 5.61 (#peak 346)
&rst
ixpk= 346, nxpk= 0, iat= 737, 761, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 53 ALA HA 54 ASN HN 3.56 (#peak 1324)
&rst
ixpk= 1324, nxpk= 0, iat= 739, 747, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 53 ALA HA 54 ASN HA 4.81 (#peak 2040)
&rst
ixpk= 2040, nxpk= 0, iat= 739, 749, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 53 ALA HA 55 ALA HN 4.06 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat= 739, 761, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 53 ALA QB 54 ASN HN 3.58 (#peak 3688)
&rst
ixpk= 3688, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 741, 742, 743,
&end
#
# 53 ALA QB 55 ALA HN 4.63 (#peak 3710)
&rst
ixpk= 3710, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 741, 742, 743,
&end
#
# 54 ASN HN 54 ASN HB2 3.91 (#peak 1325)
&rst
ixpk= 1325, nxpk= 0, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 54 ASN HN 54 ASN HB3 3.99 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat= 747, 752, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 54 ASN HN 54 ASN HD21 5.90 (#peak 1354)
&rst
ixpk= 1354, nxpk= 0, iat= 747, 756, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 54 ASN HN 55 ALA HN 3.45 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= 747, 761, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 54 ASN HN 55 ALA HA 5.90 (#peak 1322)
&rst
ixpk= 1322, nxpk= 0, iat= 747, 763, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 54 ASN HN 55 ALA QB 4.75 (#peak 2714)
&rst
ixpk= 2714, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 765, 766, 767,
&end
#
# 54 ASN HB2 55 ALA HN 4.34 (#peak 644)
&rst
ixpk= 644, nxpk= 0, iat= 751, 761, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 54 ASN HB3 55 ALA HN 4.80 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat= 752, 761, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 55 ALA HN 55 ALA QB 2.93 (#peak 2643)
&rst
ixpk= 2643, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 765, 766, 767,
&end
#
# 55 ALA HN 56 LYS HN 4.84 (#peak 640)
&rst
ixpk= 640, nxpk= 0, iat= 761, 771, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 55 ALA HA 56 LYS HN 3.22 (#peak 1699)
&rst
ixpk= 1699, nxpk= 0, iat= 763, 771, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 55 ALA QB 56 LYS HN 3.37 (#peak 2681)
&rst
ixpk= 2681, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 765, 766, 767,
&end
#
# 55 ALA QB 57 GLU HG2 5.33 (#peak 5103)
&rst
ixpk= 5103, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 765, 766, 767,
&end
#
# 56 LYS HN 56 LYS QD 4.83 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 781, 782,
&end
#
# 56 LYS HA 56 LYS HG2 3.81 (#peak 2298)
&rst
ixpk= 2298, nxpk= 0, iat= 773, 778, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 56 LYS HA 57 GLU HN 2.89 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= 773, 793, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 56 LYS HA 57 GLU HG3 5.03 (#peak 5137)
&rst
ixpk= 5137, nxpk= 0, iat= 773, 801, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 56 LYS HB2 57 GLU HN 3.95 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat= 775, 793, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 56 LYS HB3 57 GLU HN 4.75 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 776, 793, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 56 LYS HG2 56 LYS QD 2.99 (#peak 2283)
&rst
ixpk= 2283, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 781, 782,
&end
#
# 56 LYS HG2 56 LYS QE 3.63 (#peak 2299)
&rst
ixpk= 2299, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 784, 785,
&end
#
# 56 LYS HG2 57 GLU HN 4.52 (#peak 231)
&rst
ixpk= 231, nxpk= 0, iat= 778, 793, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 56 LYS HG2 57 GLU HA 5.05 (#peak 1358)
&rst
ixpk= 1358, nxpk= 0, iat= 778, 795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 56 LYS HG2 57 GLU HG3 5.56 (#peak 3940)
&rst
ixpk= 3940, nxpk= 0, iat= 778, 801, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 56 LYS HG2 58 ILE QD1 5.40 (#peak 2280)
&rst
ixpk= 2280, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 821, 822, 823,
&end
#
# 56 LYS HG2 58 ILE QG2 4.58 (#peak 2279)
&rst
ixpk= 2279, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 814, 815, 816,
&end
#
# 56 LYS HG3 56 LYS QD 2.96 (#peak 2301)
&rst
ixpk= 2301, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 781, 782,
&end
#
# 56 LYS HG3 56 LYS QE 3.71 (#peak 2300)
&rst
ixpk= 2300, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 784, 785,
&end
#
# 56 LYS HG3 57 GLU HA 5.90 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat= 779, 795, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 56 LYS HG3 58 ILE QD1 5.29 (#peak 4024)
&rst
ixpk= 4024, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 821, 822, 823,
&end
#
# 56 LYS HG3 58 ILE QG2 4.22 (#peak 2303)
&rst
ixpk= 2303, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 814, 815, 816,
&end
#
# 56 LYS QD 56 LYS QE 2.51 (#peak 3907)
&rst
ixpk= 3907, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr1= 781, 782,
igr2= 784, 785,
&end
#
# 56 LYS QD 57 GLU HN 5.11 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 781, 782,
&end
#
# 56 LYS QD 58 ILE QG2 4.23 (#peak 1050)
&rst
ixpk= 1050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 781, 782,
igr2= 814, 815, 816,
&end
#
# 56 LYS QE 140 LEU QD2 3.55 (#peak 2362)
&rst
ixpk= 2362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 784, 785,
igr2=2049,2050,2051,
&end
#
# 56 LYS QE 57 GLU HN 5.74 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 784, 785,
&end
#
# 56 LYS QE 57 GLU HA 5.87 (#peak 463)
&rst
ixpk= 463, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 784, 785,
&end
#
# 56 LYS QE 58 ILE QD1 5.80 (#peak 4697)
&rst
ixpk= 4697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 784, 785,
igr2= 821, 822, 823,
&end
#
# 56 LYS QE 58 ILE QG2 3.78 (#peak 5492)
&rst
ixpk= 5492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 784, 785,
igr2= 814, 815, 816,
&end
#
# 57 GLU HN 57 GLU HB2 3.68 (#peak 3503)
&rst
ixpk= 3503, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 57 GLU HN 57 GLU HB3 3.93 (#peak 1106)
&rst
ixpk= 1106, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 GLU HN 57 GLU HG2 4.53 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 57 GLU HN 57 GLU HG3 4.79 (#peak 5076)
&rst
ixpk= 5076, nxpk= 0, iat= 793, 801, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 57 GLU HN 58 ILE HN 5.33 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat= 793, 808, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 57 GLU HN 58 ILE QG2 5.24 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 814, 815, 816,
&end
#
# 57 GLU HA 57 GLU HG3 3.95 (#peak 5136)
&rst
ixpk= 5136, nxpk= 0, iat= 795, 801, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 57 GLU HA 58 ILE HN 3.55 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= 795, 808, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 57 GLU HA 58 ILE HA 4.66 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat= 795, 810, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 57 GLU HA 58 ILE QG2 5.05 (#peak 448)
&rst
ixpk= 448, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 814, 815, 816,
&end
#
# 58 ILE HN 58 ILE QD1 4.28 (#peak 5175)
&rst
ixpk= 5175, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 821, 822, 823,
&end
#
# 58 ILE HN 58 ILE QG1 4.70 (#peak 2062)
&rst
ixpk= 2062, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 818, 819,
&end
#
# 58 ILE HN 58 ILE QG2 3.95 (#peak 3853)
&rst
ixpk= 3853, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 814, 815, 816,
&end
#
# 58 ILE HA 58 ILE QD1 4.36 (#peak 5176)
&rst
ixpk= 5176, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 821, 822, 823,
&end
#
# 58 ILE HA 58 ILE QG2 3.35 (#peak 3856)
&rst
ixpk= 3856, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 814, 815, 816,
&end
#
# 58 ILE HA 59 ALA HN 3.12 (#peak 5271)
&rst
ixpk= 5271, nxpk= 0, iat= 810, 827, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 58 ILE HB 132 TYR HB3 5.90 (#peak 2844)
&rst
ixpk= 2844, nxpk= 0, iat= 812,1939, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 58 ILE HB 132 TYR QD 4.66 (#peak 3750)
&rst
ixpk= 3750, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1942,1951,
&end
#
# 58 ILE HB 132 TYR QE 4.84 (#peak 3751)
&rst
ixpk= 3751, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1944,1949,
&end
#
# 58 ILE HB 58 ILE QD1 3.62 (#peak 5148)
&rst
ixpk= 5148, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 821, 822, 823,
&end
#
# 58 ILE HB 59 ALA HN 4.23 (#peak 4341)
&rst
ixpk= 4341, nxpk= 0, iat= 812, 827, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 58 ILE QD1 132 TYR QD 4.77 (#peak 4691)
&rst
ixpk= 4691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 821, 822, 823,
igr2=1942,1951,
&end
#
# 58 ILE QD1 132 TYR QE 5.07 (#peak 4696)
&rst
ixpk= 4696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 821, 822, 823,
igr2=1944,1949,
&end
#
# 58 ILE QD1 140 LEU QD1 3.02 (#peak 2036)
&rst
ixpk= 2036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 821, 822, 823,
igr2=2045,2046,2047,
&end
#
# 58 ILE QD1 140 LEU QD2 3.56 (#peak 2419)
&rst
ixpk= 2419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 821, 822, 823,
igr2=2049,2050,2051,
&end
#
# 58 ILE QD1 59 ALA HN 5.13 (#peak 5149)
&rst
ixpk= 5149, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 821, 822, 823,
&end
#
# 58 ILE QG2 132 TYR QD 4.08 (#peak 4489)
&rst
ixpk= 4489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 814, 815, 816,
igr2=1942,1951,
&end
#
# 58 ILE QG2 132 TYR QE 4.01 (#peak 3808)
&rst
ixpk= 3808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 814, 815, 816,
igr2=1944,1949,
&end
#
# 58 ILE QG2 140 LEU HA 5.03 (#peak 3811)
&rst
ixpk= 3811, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 814, 815, 816,
&end
#
# 58 ILE QG2 140 LEU HG 4.21 (#peak 1798)
&rst
ixpk= 1798, nxpk= 0, iat= -1,2043, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 814, 815, 816,
&end
#
# 58 ILE QG2 140 LEU QD1 2.67 (#peak 2066)
&rst
ixpk= 2066, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 814, 815, 816,
igr2=2045,2046,2047,
&end
#
# 58 ILE QG2 140 LEU QD2 3.31 (#peak 2395)
&rst
ixpk= 2395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 814, 815, 816,
igr2=2049,2050,2051,
&end
#
# 58 ILE QG2 58 ILE QD1 3.26 (#peak 3809)
&rst
ixpk= 3809, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 814, 815, 816,
igr2= 821, 822, 823,
&end
#
# 58 ILE QG2 59 ALA HN 3.96 (#peak 3855)
&rst
ixpk= 3855, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 814, 815, 816,
&end
#
# 58 ILE QG2 59 ALA QB 5.39 (#peak 3125)
&rst
ixpk= 3125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 814, 815, 816,
igr2= 831, 832, 833,
&end
#
# 59 ALA HN 59 ALA QB 2.90 (#peak 3146)
&rst
ixpk= 3146, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 831, 832, 833,
&end
#
# 59 ALA HN 60 GLY HN 5.90 (#peak 1537)
&rst
ixpk= 1537, nxpk= 0, iat= 827, 837, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 59 ALA HA 104 THR HB 3.58 (#peak 1837)
&rst
ixpk= 1837, nxpk= 0, iat= 829,1509, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 59 ALA HA 104 THR QG2 4.42 (#peak 1722)
&rst
ixpk= 1722, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1511,1512,1513,
&end
#
# 59 ALA HA 60 GLY HN 3.42 (#peak 1721)
&rst
ixpk= 1721, nxpk= 0, iat= 829, 837, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 59 ALA HA 61 VAL HN 5.07 (#peak 1705)
&rst
ixpk= 1705, nxpk= 0, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 59 ALA QB 104 THR HG1 3.88 (#peak 4869)
&rst
ixpk= 4869, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 105 GLU HN 4.70 (#peak 3126)
&rst
ixpk= 3126, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 105 GLU HA 3.49 (#peak 3148)
&rst
ixpk= 3148, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 105 GLU HB2 5.12 (#peak 3215)
&rst
ixpk= 3215, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 105 GLU HG3 4.80 (#peak 4926)
&rst
ixpk= 4926, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 106 ALA HN 4.34 (#peak 4027)
&rst
ixpk= 4027, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 106 ALA HA 3.32 (#peak 3150)
&rst
ixpk= 3150, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 107 GLU HN 4.88 (#peak 1415)
&rst
ixpk= 1415, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 108 GLY HN 5.25 (#peak 4012)
&rst
ixpk= 4012, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 60 GLY HN 3.31 (#peak 3145)
&rst
ixpk= 3145, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 60 GLY HA2 4.10 (#peak 2781)
&rst
ixpk= 2781, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 831, 832, 833,
&end
#
# 59 ALA QB 60 GLY HA3 4.52 (#peak 2713)
&rst
ixpk= 2713, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 831, 832, 833,
&end
#
# 60 GLY HN 103 LEU QQD 4.87 (#peak 1545)
&rst
ixpk= 1545, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 60 GLY HN 104 THR HN 4.93 (#peak 1362)
&rst
ixpk= 1362, nxpk= 0, iat= 837,1505, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 60 GLY HN 104 THR HB 5.12 (#peak 1539)
&rst
ixpk= 1539, nxpk= 0, iat= 837,1509, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 60 GLY HN 104 THR HG1 3.77 (#peak 4865)
&rst
ixpk= 4865, nxpk= 0, iat= 837,1515, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 60 GLY HN 104 THR QG2 4.78 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1511,1512,1513,
&end
#
# 60 GLY HN 105 GLU HA 5.13 (#peak 2045)
&rst
ixpk= 2045, nxpk= 0, iat= 837,1521, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 60 GLY HN 61 VAL HN 4.05 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat= 837, 844, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 60 GLY HN 61 VAL HB 5.45 (#peak 1546)
&rst
ixpk= 1546, nxpk= 0, iat= 837, 848, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 60 GLY HN 61 VAL QG1 4.56 (#peak 2537)
&rst
ixpk= 2537, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 850, 851, 852,
&end
#
# 60 GLY HA2 103 LEU HB2 4.94 (#peak 2675)
&rst
ixpk= 2675, nxpk= 0, iat= 839,1490, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 60 GLY HA2 103 LEU QQD 4.12 (#peak 2752)
&rst
ixpk= 2752, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 60 GLY HA2 132 TYR HB3 4.80 (#peak 2710)
&rst
ixpk= 2710, nxpk= 0, iat= 839,1939, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 GLY HA3 103 LEU QQD 4.19 (#peak 2753)
&rst
ixpk= 2753, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 60 GLY HA3 104 THR HN 5.60 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat= 840,1505, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 60 GLY HA3 132 TYR QD 5.20 (#peak 2680)
&rst
ixpk= 2680, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1942,1951,
&end
#
# 61 VAL HN 103 LEU HA 4.92 (#peak 533)
&rst
ixpk= 533, nxpk= 0, iat= 844,1488, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 61 VAL HN 103 LEU HB3 4.37 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat= 844,1491, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 61 VAL HN 103 LEU QQD 4.39 (#peak 2312)
&rst
ixpk= 2312, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 61 VAL HN 104 THR HN 4.12 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat= 844,1505, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 61 VAL HN 104 THR HA 5.57 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat= 844,1507, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 61 VAL HN 104 THR HB 5.13 (#peak 2776)
&rst
ixpk= 2776, nxpk= 0, iat= 844,1509, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 61 VAL HN 104 THR HG1 4.03 (#peak 4864)
&rst
ixpk= 4864, nxpk= 0, iat= 844,1515, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 61 VAL HN 104 THR QG2 4.42 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1511,1512,1513,
&end
#
# 61 VAL HN 61 VAL HB 3.98 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat= 844, 848, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 VAL HN 61 VAL QG1 3.35 (#peak 2539)
&rst
ixpk= 2539, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 850, 851, 852,
&end
#
# 61 VAL HN 61 VAL QG2 3.89 (#peak 2665)
&rst
ixpk= 2665, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 854, 855, 856,
&end
#
# 61 VAL HN 62 MET HN 5.90 (#peak 541)
&rst
ixpk= 541, nxpk= 0, iat= 844, 860, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 61 VAL HN 62 MET HA 5.90 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= 844, 862, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 61 VAL HN 63 PHE QE 5.52 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 887, 891,
&end
#
# 61 VAL HA 104 THR HN 5.90 (#peak 2403)
&rst
ixpk= 2403, nxpk= 0, iat= 846,1505, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 61 VAL HA 127 HIS HA 5.02 (#peak 5448)
&rst
ixpk= 5448, nxpk= 0, iat= 846,1864, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 61 VAL HA 61 VAL QG1 3.72 (#peak 2400)
&rst
ixpk= 2400, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 850, 851, 852,
&end
#
# 61 VAL HA 61 VAL QG2 3.25 (#peak 2668)
&rst
ixpk= 2668, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 854, 855, 856,
&end
#
# 61 VAL HB 104 THR HN 5.55 (#peak 1364)
&rst
ixpk= 1364, nxpk= 0, iat= 848,1505, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 61 VAL HB 104 THR HG1 5.53 (#peak 4867)
&rst
ixpk= 4867, nxpk= 0, iat= 848,1515, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 61 VAL HB 63 PHE QD 5.22 (#peak 1223)
&rst
ixpk= 1223, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 885, 893,
&end
#
# 61 VAL HB 63 PHE QE 5.08 (#peak 1139)
&rst
ixpk= 1139, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 887, 891,
&end
#
# 61 VAL QG1 104 THR HN 5.29 (#peak 4434)
&rst
ixpk= 4434, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 850, 851, 852,
&end
#
# 61 VAL QG1 104 THR HG1 5.08 (#peak 4870)
&rst
ixpk= 4870, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 850, 851, 852,
&end
#
# 61 VAL QG1 62 MET HN 4.41 (#peak 2538)
&rst
ixpk= 2538, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 850, 851, 852,
&end
#
# 61 VAL QG1 63 PHE QD 4.80 (#peak 2540)
&rst
ixpk= 2540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 850, 851, 852,
igr2= 885, 893,
&end
#
# 61 VAL QG1 63 PHE QE 4.31 (#peak 1143)
&rst
ixpk= 1143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 850, 851, 852,
igr2= 887, 891,
&end
#
# 61 VAL QG2 104 THR HN 5.72 (#peak 39)
&rst
ixpk= 39, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 104 THR HG1 5.70 (#peak 4871)
&rst
ixpk= 4871, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 104 THR QG2 4.87 (#peak 2057)
&rst
ixpk= 2057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 854, 855, 856,
igr2=1511,1512,1513,
&end
#
# 61 VAL QG2 125 GLU HG3 4.21 (#peak 5255)
&rst
ixpk= 5255, nxpk= 0, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 127 HIS HD2 5.90 (#peak 1819)
&rst
ixpk= 1819, nxpk= 0, iat= -1,1875, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 127 HIS QB 5.90 (#peak 5449)
&rst
ixpk= 5449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 854, 855, 856,
igr2=1866,1867,
&end
#
# 61 VAL QG2 62 MET HN 3.54 (#peak 2664)
&rst
ixpk= 2664, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 62 MET HA 4.16 (#peak 1642)
&rst
ixpk= 1642, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 63 PHE HN 5.90 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 63 PHE HA 5.90 (#peak 1617)
&rst
ixpk= 1617, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 854, 855, 856,
&end
#
# 61 VAL QG2 63 PHE QB 4.81 (#peak 1631)
&rst
ixpk= 1631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 854, 855, 856,
igr2= 881, 882,
&end
#
# 61 VAL QG2 63 PHE QE 3.80 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 854, 855, 856,
igr2= 887, 891,
&end
#
# 62 MET HN 103 LEU HB3 5.90 (#peak 16)
&rst
ixpk= 16, nxpk= 0, iat= 860,1491, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 62 MET HN 103 LEU HG 4.92 (#peak 1952)
&rst
ixpk= 1952, nxpk= 0, iat= 860,1493, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 62 MET HN 103 LEU QQD 4.63 (#peak 4250)
&rst
ixpk= 4250, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 62 MET HN 104 THR HN 5.50 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= 860,1505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 MET HN 62 MET HG2 4.77 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= 860, 867, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 62 MET HA 102 LYS HN 5.79 (#peak 406)
&rst
ixpk= 406, nxpk= 0, iat= 862,1464, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 62 MET HA 103 LEU HA 3.76 (#peak 1065)
&rst
ixpk= 1065, nxpk= 0, iat= 862,1488, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 62 MET HA 103 LEU HB3 5.13 (#peak 699)
&rst
ixpk= 699, nxpk= 0, iat= 862,1491, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 62 MET HA 103 LEU QQD 3.31 (#peak 1973)
&rst
ixpk= 1973, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 62 MET HA 104 THR HN 4.81 (#peak 1391)
&rst
ixpk= 1391, nxpk= 0, iat= 862,1505, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 62 MET HA 62 MET HG3 4.12 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= 862, 868, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 62 MET HA 63 PHE HN 3.24 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat= 862, 877, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 62 MET HA 63 PHE HA 5.79 (#peak 1964)
&rst
ixpk= 1964, nxpk= 0, iat= 862, 879, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 62 MET HA 63 PHE QB 4.79 (#peak 3562)
&rst
ixpk= 3562, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 881, 882,
&end
#
# 62 MET HA 63 PHE QD 4.80 (#peak 1959)
&rst
ixpk= 1959, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 885, 893,
&end
#
# 62 MET HG2 103 LEU QQD 3.39 (#peak 2243)
&rst
ixpk= 2243, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 62 MET HG2 126 ILE HN 5.90 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat= 867,1843, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 62 MET HG2 126 ILE QG2 4.66 (#peak 3995)
&rst
ixpk= 3995, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1849,1850,1851,
&end
#
# 62 MET HG2 129 LEU HB2 4.63 (#peak 3239)
&rst
ixpk= 3239, nxpk= 0, iat= 867,1894, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 MET HG2 129 LEU QD2 4.16 (#peak 1871)
&rst
ixpk= 1871, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1903,1904,1905,
&end
#
# 62 MET HG2 62 MET QE 3.04 (#peak 4088)
&rst
ixpk= 4088, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 871, 872, 873,
&end
#
# 62 MET HG2 63 PHE HN 4.93 (#peak 3322)
&rst
ixpk= 3322, nxpk= 0, iat= 867, 877, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 62 MET HG2 64 VAL QG1 4.39 (#peak 3326)
&rst
ixpk= 3326, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 903, 904, 905,
&end
#
# 62 MET HG3 103 LEU QQD 4.86 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 62 MET HG3 129 LEU QD2 4.37 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1903,1904,1905,
&end
#
# 62 MET HG3 63 PHE HA 5.52 (#peak 3462)
&rst
ixpk= 3462, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 62 MET QB 103 LEU HG 2.73 (#peak 1896)
&rst
ixpk= 1896, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr1= 864, 865,
&end
#
# 62 MET QB 103 LEU QQD 2.50 (#peak 2288)
&rst
ixpk= 2288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 864, 865,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 62 MET QB 63 PHE HA 5.60 (#peak 3715)
&rst
ixpk= 3715, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 864, 865,
&end
#
# 62 MET QE 101 LYS HA 5.16 (#peak 1563)
&rst
ixpk= 1563, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 101 LYS HB3 3.97 (#peak 4137)
&rst
ixpk= 4137, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 101 LYS HG2 5.11 (#peak 2378)
&rst
ixpk= 2378, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 101 LYS HG3 3.78 (#peak 4138)
&rst
ixpk= 4138, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 102 LYS HN 5.18 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 103 LEU HN 3.90 (#peak 4087)
&rst
ixpk= 4087, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 103 LEU HG 3.49 (#peak 1929)
&rst
ixpk= 1929, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 103 LEU QQD 2.40 (#peak 4090)
&rst
ixpk= 4090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 871, 872, 873,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 62 MET QE 129 LEU HN 4.81 (#peak 4065)
&rst
ixpk= 4065, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 129 LEU HB2 4.30 (#peak 4153)
&rst
ixpk= 4153, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 871, 872, 873,
&end
#
# 62 MET QE 129 LEU QD1 3.58 (#peak 5475)
&rst
ixpk= 5475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 871, 872, 873,
igr2=1899,1900,1901,
&end
#
# 62 MET QE 129 LEU QD2 3.90 (#peak 1843)
&rst
ixpk= 1843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 871, 872, 873,
igr2=1903,1904,1905,
&end
#
# 62 MET QE 64 VAL QG1 3.73 (#peak 2516)
&rst
ixpk= 2516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 871, 872, 873,
igr2= 903, 904, 905,
&end
#
# 63 PHE HN 101 LYS HA 5.52 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat= 877,1444, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 63 PHE HN 102 LYS HN 4.40 (#peak 357)
&rst
ixpk= 357, nxpk= 0, iat= 877,1464, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 63 PHE HN 103 LEU HA 4.14 (#peak 1064)
&rst
ixpk= 1064, nxpk= 0, iat= 877,1488, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 63 PHE HN 104 THR HN 5.37 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= 877,1505, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 63 PHE HN 123 ILE QG2 5.53 (#peak 128)
&rst
ixpk= 128, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1794,1795,1796,
&end
#
# 63 PHE HN 63 PHE QB 4.06 (#peak 3614)
&rst
ixpk= 3614, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 881, 882,
&end
#
# 63 PHE HN 63 PHE QD 4.28 (#peak 120)
&rst
ixpk= 120, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 885, 893,
&end
#
# 63 PHE HN 63 PHE QE 5.03 (#peak 366)
&rst
ixpk= 366, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 887, 891,
&end
#
# 63 PHE HN 64 VAL HN 5.64 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= 877, 897, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 63 PHE HA 101 LYS HA 5.73 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= 879,1444, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 63 PHE HA 102 LYS HN 5.60 (#peak 130)
&rst
ixpk= 130, nxpk= 0, iat= 879,1464, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 63 PHE HA 123 ILE QG2 4.05 (#peak 3598)
&rst
ixpk= 3598, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1794,1795,1796,
&end
#
# 63 PHE HA 124 TYR HN 5.64 (#peak 1604)
&rst
ixpk= 1604, nxpk= 0, iat= 879,1807, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 63 PHE HA 125 GLU HA 3.97 (#peak 821)
&rst
ixpk= 821, nxpk= 0, iat= 879,1830, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 63 PHE HA 125 GLU HB2 4.72 (#peak 314)
&rst
ixpk= 314, nxpk= 0, iat= 879,1832, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 63 PHE HA 125 GLU HG2 5.13 (#peak 3867)
&rst
ixpk= 3867, nxpk= 0, iat= 879,1835, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 63 PHE HA 126 ILE HN 4.41 (#peak 316)
&rst
ixpk= 316, nxpk= 0, iat= 879,1843, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 63 PHE HA 126 ILE HB 5.17 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat= 879,1847, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 63 PHE HA 126 ILE HG12 5.12 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= 879,1853, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 63 PHE HA 63 PHE QD 3.67 (#peak 1611)
&rst
ixpk= 1611, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 885, 893,
&end
#
# 63 PHE HA 63 PHE QE 5.58 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 887, 891,
&end
#
# 63 PHE HA 64 VAL HN 3.32 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat= 879, 897, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 63 PHE HA 64 VAL HA 4.91 (#peak 1662)
&rst
ixpk= 1662, nxpk= 0, iat= 879, 899, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 63 PHE HA 64 VAL QG1 4.69 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 903, 904, 905,
&end
#
# 63 PHE HA 64 VAL QG2 4.22 (#peak 2880)
&rst
ixpk= 2880, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 907, 908, 909,
&end
#
# 63 PHE QB 101 LYS HA 5.10 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 881, 882,
&end
#
# 63 PHE QB 102 LYS HN 5.09 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 881, 882,
&end
#
# 63 PHE QB 109 ALA QB 5.76 (#peak 3566)
&rst
ixpk= 3566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 881, 882,
igr2=1570,1571,1572,
&end
#
# 63 PHE QB 123 ILE QD1 5.24 (#peak 3024)
&rst
ixpk= 3024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 881, 882,
igr2=1801,1802,1803,
&end
#
# 63 PHE QB 123 ILE QG2 3.04 (#peak 3600)
&rst
ixpk= 3600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 881, 882,
igr2=1794,1795,1796,
&end
#
# 63 PHE QB 125 GLU HA 3.45 (#peak 2387)
&rst
ixpk= 2387, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 881, 882,
&end
#
# 63 PHE QB 125 GLU HB2 4.44 (#peak 962)
&rst
ixpk= 962, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 881, 882,
&end
#
# 63 PHE QB 125 GLU HG2 5.31 (#peak 5266)
&rst
ixpk= 5266, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 881, 882,
&end
#
# 63 PHE QB 125 GLU HG3 4.47 (#peak 3806)
&rst
ixpk= 3806, nxpk= 0, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 881, 882,
&end
#
# 63 PHE QB 126 ILE HN 5.10 (#peak 3025)
&rst
ixpk= 3025, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 881, 882,
&end
#
# 63 PHE QB 64 VAL HN 4.51 (#peak 808)
&rst
ixpk= 808, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 881, 882,
&end
#
# 63 PHE QB 64 VAL HA 4.75 (#peak 5155)
&rst
ixpk= 5155, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 881, 882,
&end
#
# 63 PHE QB 64 VAL QG1 4.43 (#peak 2534)
&rst
ixpk= 2534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 881, 882,
igr2= 903, 904, 905,
&end
#
# 63 PHE QB 64 VAL QG2 4.72 (#peak 2882)
&rst
ixpk= 2882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 881, 882,
igr2= 907, 908, 909,
&end
#
# 63 PHE QB 65 TRP HD1 5.90 (#peak 1504)
&rst
ixpk= 1504, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 881, 882,
&end
#
# 63 PHE QD 101 LYS HA 4.53 (#peak 1553)
&rst
ixpk= 1553, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 885, 893,
&end
#
# 63 PHE QD 101 LYS HB2 5.89 (#peak 3290)
&rst
ixpk= 3290, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 885, 893,
&end
#
# 63 PHE QD 102 LYS HN 4.30 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 885, 893,
&end
#
# 63 PHE QD 104 THR HN 5.25 (#peak 1218)
&rst
ixpk= 1218, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 885, 893,
&end
#
# 63 PHE QD 104 THR QG2 4.15 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 885, 893,
igr2=1511,1512,1513,
&end
#
# 63 PHE QD 109 ALA QB 4.20 (#peak 1469)
&rst
ixpk= 1469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 885, 893,
igr2=1570,1571,1572,
&end
#
# 63 PHE QD 123 ILE HG13 5.90 (#peak 4835)
&rst
ixpk= 4835, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 885, 893,
&end
#
# 63 PHE QD 123 ILE QG2 3.51 (#peak 4640)
&rst
ixpk= 4640, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 885, 893,
igr2=1794,1795,1796,
&end
#
# 63 PHE QD 125 GLU HA 4.80 (#peak 820)
&rst
ixpk= 820, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 885, 893,
&end
#
# 63 PHE QD 64 VAL HN 4.30 (#peak 104)
&rst
ixpk= 104, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 885, 893,
&end
#
# 63 PHE QD 64 VAL HA 5.02 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 885, 893,
&end
#
# 63 PHE QD 65 TRP HD1 4.23 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 885, 893,
&end
#
# 63 PHE QD 65 TRP HE1 5.90 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 885, 893,
&end
#
# 63 PHE QE 104 THR HN 5.65 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 887, 891,
&end
#
# 63 PHE QE 104 THR HA 4.70 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 887, 891,
&end
#
# 63 PHE QE 104 THR QG2 3.05 (#peak 2051)
&rst
ixpk= 2051, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 887, 891,
igr2=1511,1512,1513,
&end
#
# 63 PHE QE 109 ALA QB 4.56 (#peak 4200)
&rst
ixpk= 4200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 887, 891,
igr2=1570,1571,1572,
&end
#
# 63 PHE QE 123 ILE QG2 5.02 (#peak 1702)
&rst
ixpk= 1702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 887, 891,
igr2=1794,1795,1796,
&end
#
# 63 PHE QE 164 PRO HG3 5.39 (#peak 1492)
&rst
ixpk= 1492, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 887, 891,
&end
#
# 63 PHE QE 65 TRP HD1 5.61 (#peak 1153)
&rst
ixpk= 1153, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 887, 891,
&end
#
# 64 VAL HN 101 LYS HA 5.73 (#peak 115)
&rst
ixpk= 115, nxpk= 0, iat= 897,1444, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 64 VAL HN 123 ILE HA 5.08 (#peak 116)
&rst
ixpk= 116, nxpk= 0, iat= 897,1790, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 64 VAL HN 123 ILE QG2 4.37 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1794,1795,1796,
&end
#
# 64 VAL HN 124 TYR HN 5.33 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 897,1807, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 64 VAL HN 124 TYR HB3 5.77 (#peak 809)
&rst
ixpk= 809, nxpk= 0, iat= 897,1812, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 64 VAL HN 124 TYR O 2.4
&rst
ixpk= 809, nxpk= 0, iat= 897,1826, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 64 VAL HN 124 TYR QD 5.81 (#peak 1422)
&rst
ixpk= 1422, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1815,1824,
&end
#
# 64 VAL HN 125 GLU HA 4.98 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= 897,1830, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 64 VAL HN 126 ILE HN 5.75 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= 897,1843, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 64 VAL HN 64 VAL HB 4.07 (#peak 5117)
&rst
ixpk= 5117, nxpk= 0, iat= 897, 901, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 VAL HN 64 VAL QG1 4.48 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 903, 904, 905,
&end
#
# 64 VAL HN 64 VAL QG2 3.41 (#peak 2877)
&rst
ixpk= 2877, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 907, 908, 909,
&end
#
# 64 VAL HN 65 TRP HD1 5.33 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat= 897, 921, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 64 VAL HA 101 LYS HN 4.95 (#peak 356)
&rst
ixpk= 356, nxpk= 0, iat= 899,1442, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 64 VAL HA 101 LYS HA 3.65 (#peak 5177)
&rst
ixpk= 5177, nxpk= 0, iat= 899,1444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 64 VAL HA 101 LYS HB2 4.51 (#peak 5151)
&rst
ixpk= 5151, nxpk= 0, iat= 899,1446, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 64 VAL HA 101 LYS HB3 4.45 (#peak 3733)
&rst
ixpk= 3733, nxpk= 0, iat= 899,1447, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 64 VAL HA 101 LYS HD2 4.95 (#peak 1178)
&rst
ixpk= 1178, nxpk= 0, iat= 899,1452, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 64 VAL HA 102 LYS HN 4.41 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat= 899,1464, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 64 VAL HA 126 ILE HG12 5.90 (#peak 3850)
&rst
ixpk= 3850, nxpk= 0, iat= 899,1853, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 64 VAL HA 64 VAL QG1 3.26 (#peak 2514)
&rst
ixpk= 2514, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 903, 904, 905,
&end
#
# 64 VAL HA 64 VAL QG2 3.45 (#peak 2881)
&rst
ixpk= 2881, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 907, 908, 909,
&end
#
# 64 VAL HA 65 TRP HN 3.45 (#peak 5150)
&rst
ixpk= 5150, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 64 VAL HA 65 TRP HD1 4.28 (#peak 5154)
&rst
ixpk= 5154, nxpk= 0, iat= 899, 921, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 64 VAL HB 101 LYS HA 4.74 (#peak 3625)
&rst
ixpk= 3625, nxpk= 0, iat= 901,1444, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 64 VAL HB 124 TYR HN 5.90 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat= 901,1807, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 64 VAL HB 84 ILE QD1 4.38 (#peak 4893)
&rst
ixpk= 4893, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1208,1209,1210,
&end
#
# 64 VAL N 124 TYR O 3.3
&rst
ixpk= 4893, nxpk= 0, iat= 896,1826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 64 VAL QG1 101 LYS HA 3.99 (#peak 2513)
&rst
ixpk= 2513, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 101 LYS HB2 3.85 (#peak 2515)
&rst
ixpk= 2515, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 101 LYS HB3 3.21 (#peak 2531)
&rst
ixpk= 2531, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 101 LYS QE 4.70 (#peak 2909)
&rst
ixpk= 2909, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 903, 904, 905,
igr2=1455,1456,
&end
#
# 64 VAL QG1 102 LYS HN 4.36 (#peak 2492)
&rst
ixpk= 2492, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 124 TYR HN 4.81 (#peak 2475)
&rst
ixpk= 2475, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 124 TYR HB3 4.96 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 126 ILE QD1 3.59 (#peak 2518)
&rst
ixpk= 2518, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 903, 904, 905,
igr2=1856,1857,1858,
&end
#
# 64 VAL QG1 126 ILE QG2 4.02 (#peak 3973)
&rst
ixpk= 3973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 903, 904, 905,
igr2=1849,1850,1851,
&end
#
# 64 VAL QG1 65 TRP HN 4.18 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 903, 904, 905,
&end
#
# 64 VAL QG1 84 ILE QD1 4.07 (#peak 2519)
&rst
ixpk= 2519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 903, 904, 905,
igr2=1208,1209,1210,
&end
#
# 64 VAL QG1 84 ILE QG2 5.70 (#peak 4162)
&rst
ixpk= 4162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 903, 904, 905,
igr2=1201,1202,1203,
&end
#
# 64 VAL QG1 99 ALA QB 4.00 (#peak 2532)
&rst
ixpk= 2532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 903, 904, 905,
igr2=1419,1420,1421,
&end
#
# 64 VAL QG2 101 LYS HA 5.09 (#peak 2879)
&rst
ixpk= 2879, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 124 TYR HN 4.80 (#peak 190)
&rst
ixpk= 190, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 124 TYR HA 4.34 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 124 TYR HB2 4.27 (#peak 3186)
&rst
ixpk= 3186, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 124 TYR HB3 4.08 (#peak 3270)
&rst
ixpk= 3270, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 124 TYR QD 4.53 (#peak 2845)
&rst
ixpk= 2845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 907, 908, 909,
igr2=1815,1824,
&end
#
# 64 VAL QG2 126 ILE QD1 3.01 (#peak 2885)
&rst
ixpk= 2885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 907, 908, 909,
igr2=1856,1857,1858,
&end
#
# 64 VAL QG2 65 TRP HN 3.65 (#peak 2878)
&rst
ixpk= 2878, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 65 TRP HA 4.74 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 66 THR HN 5.27 (#peak 4231)
&rst
ixpk= 4231, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 907, 908, 909,
&end
#
# 64 VAL QG2 84 ILE QD1 2.91 (#peak 2886)
&rst
ixpk= 2886, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 907, 908, 909,
igr2=1208,1209,1210,
&end
#
# 64 VAL QG2 84 ILE QG2 4.64 (#peak 2887)
&rst
ixpk= 2887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 907, 908, 909,
igr2=1201,1202,1203,
&end
#
# 65 TRP HN 100 MET HN 5.34 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat= 913,1425, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 65 TRP HN 100 MET HB2 5.04 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= 913,1429, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 65 TRP HN 100 MET HB3 5.25 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= 913,1430, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 65 TRP HN 100 MET HG3 4.70 (#peak 3571)
&rst
ixpk= 3571, nxpk= 0, iat= 913,1433, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 TRP HN 100 MET O 2.4
&rst
ixpk= 3571, nxpk= 0, iat= 913,1440, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 65 TRP HN 100 MET QE 5.55 (#peak 5430)
&rst
ixpk= 5430, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1436,1437,1438,
&end
#
# 65 TRP HN 101 LYS HN 5.90 (#peak 32)
&rst
ixpk= 32, nxpk= 0, iat= 913,1442, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 65 TRP HN 101 LYS HA 4.48 (#peak 1191)
&rst
ixpk= 1191, nxpk= 0, iat= 913,1444, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 65 TRP HN 101 LYS HB2 5.70 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= 913,1446, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 65 TRP HN 123 ILE HA 5.80 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat= 913,1790, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 65 TRP HN 124 TYR HN 5.90 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= 913,1807, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 65 TRP HN 65 TRP HD1 3.62 (#peak 475)
&rst
ixpk= 475, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 65 TRP HN 66 THR HN 5.27 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat= 913, 937, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 65 TRP HN 99 ALA QB 5.90 (#peak 21)
&rst
ixpk= 21, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1419,1420,1421,
&end
#
# 65 TRP HA 122 LYS HN 5.33 (#peak 1678)
&rst
ixpk= 1678, nxpk= 0, iat= 915,1766, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 65 TRP HA 123 ILE HA 3.75 (#peak 5159)
&rst
ixpk= 5159, nxpk= 0, iat= 915,1790, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 TRP HA 123 ILE HG12 5.03 (#peak 4680)
&rst
ixpk= 4680, nxpk= 0, iat= 915,1798, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 65 TRP HA 123 ILE HG13 4.92 (#peak 234)
&rst
ixpk= 234, nxpk= 0, iat= 915,1799, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 65 TRP HA 123 ILE QD1 5.31 (#peak 1675)
&rst
ixpk= 1675, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1801,1802,1803,
&end
#
# 65 TRP HA 123 ILE QG2 4.03 (#peak 3546)
&rst
ixpk= 3546, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1794,1795,1796,
&end
#
# 65 TRP HA 124 TYR HN 4.70 (#peak 1677)
&rst
ixpk= 1677, nxpk= 0, iat= 915,1807, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 TRP HA 124 TYR QD 5.07 (#peak 1680)
&rst
ixpk= 1680, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1815,1824,
&end
#
# 65 TRP HA 150 ILE QG2 5.90 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2189,2190,2191,
&end
#
# 65 TRP HA 65 TRP HD1 3.67 (#peak 1660)
&rst
ixpk= 1660, nxpk= 0, iat= 915, 921, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 65 TRP HA 65 TRP HE3 4.65 (#peak 1679)
&rst
ixpk= 1679, nxpk= 0, iat= 915, 932, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 65 TRP HA 66 THR HN 3.30 (#peak 148)
&rst
ixpk= 148, nxpk= 0, iat= 915, 937, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 65 TRP HA 66 THR QG2 4.94 (#peak 4266)
&rst
ixpk= 4266, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 943, 944, 945,
&end
#
# 65 TRP HA 73 ILE QD1 5.53 (#peak 4189)
&rst
ixpk= 4189, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1054,1055,1056,
&end
#
# 65 TRP HB2 100 MET HN 5.81 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= 917,1425, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 65 TRP HB2 100 MET HB2 3.60 (#peak 2898)
&rst
ixpk= 2898, nxpk= 0, iat= 917,1429, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 65 TRP HB2 100 MET HG2 5.19 (#peak 161)
&rst
ixpk= 161, nxpk= 0, iat= 917,1432, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 65 TRP HB2 100 MET HG3 3.76 (#peak 3567)
&rst
ixpk= 3567, nxpk= 0, iat= 917,1433, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 65 TRP HB2 101 LYS HA 5.69 (#peak 1561)
&rst
ixpk= 1561, nxpk= 0, iat= 917,1444, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 65 TRP HB2 111 PHE QE 5.50 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1608,1612,
&end
#
# 65 TRP HB2 116 LEU QD2 5.56 (#peak 4770)
&rst
ixpk= 4770, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1683,1684,1685,
&end
#
# 65 TRP HB2 65 TRP HE3 3.88 (#peak 2886)
&rst
ixpk= 2886, nxpk= 0, iat= 917, 932, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 65 TRP HB2 66 THR HN 4.49 (#peak 1504)
&rst
ixpk= 1504, nxpk= 0, iat= 917, 937, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 65 TRP HB2 73 ILE QD1 4.74 (#peak 2904)
&rst
ixpk= 2904, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1054,1055,1056,
&end
#
# 65 TRP HB3 100 MET HN 5.90 (#peak 2972)
&rst
ixpk= 2972, nxpk= 0, iat= 918,1425, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 65 TRP HB3 100 MET HB2 4.85 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat= 918,1429, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 65 TRP HB3 100 MET HB3 3.81 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat= 918,1430, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 65 TRP HB3 100 MET HG2 4.80 (#peak 3392)
&rst
ixpk= 3392, nxpk= 0, iat= 918,1432, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 65 TRP HB3 100 MET HG3 5.26 (#peak 292)
&rst
ixpk= 292, nxpk= 0, iat= 918,1433, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 65 TRP HB3 116 LEU QD2 5.90 (#peak 4772)
&rst
ixpk= 4772, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1683,1684,1685,
&end
#
# 65 TRP HB3 65 TRP HE3 4.03 (#peak 2964)
&rst
ixpk= 2964, nxpk= 0, iat= 918, 932, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 65 TRP HB3 65 TRP HZ3 5.90 (#peak 2978)
&rst
ixpk= 2978, nxpk= 0, iat= 918, 930, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 65 TRP HB3 66 THR HN 4.70 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat= 918, 937, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 TRP HB3 73 ILE QD1 4.99 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1054,1055,1056,
&end
#
# 65 TRP HD1 100 MET HG2 4.59 (#peak 209)
&rst
ixpk= 209, nxpk= 0, iat= 921,1432, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 65 TRP HD1 100 MET HG3 4.18 (#peak 3554)
&rst
ixpk= 3554, nxpk= 0, iat= 921,1433, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 65 TRP HD1 100 MET QE 4.68 (#peak 5426)
&rst
ixpk= 5426, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1436,1437,1438,
&end
#
# 65 TRP HD1 101 LYS HA 4.90 (#peak 1555)
&rst
ixpk= 1555, nxpk= 0, iat= 921,1444, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 65 TRP HD1 102 LYS HN 5.61 (#peak 1495)
&rst
ixpk= 1495, nxpk= 0, iat= 921,1464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 65 TRP HD1 111 PHE HZ 5.34 (#peak 1543)
&rst
ixpk= 1543, nxpk= 0, iat= 921,1610, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 65 TRP HD1 111 PHE QE 4.85 (#peak 922)
&rst
ixpk= 922, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1608,1612,
&end
#
# 65 TRP HD1 123 ILE HA 5.31 (#peak 2243)
&rst
ixpk= 2243, nxpk= 0, iat= 921,1790, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 65 TRP HD1 123 ILE HG12 5.65 (#peak 4687)
&rst
ixpk= 4687, nxpk= 0, iat= 921,1798, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 65 TRP HD1 123 ILE HG13 5.43 (#peak 4831)
&rst
ixpk= 4831, nxpk= 0, iat= 921,1799, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 65 TRP HD1 123 ILE QD1 5.01 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1801,1802,1803,
&end
#
# 65 TRP HD1 123 ILE QG2 4.02 (#peak 4641)
&rst
ixpk= 4641, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1794,1795,1796,
&end
#
# 65 TRP HD1 66 THR HN 5.36 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat= 921, 937, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 65 TRP HE1 100 MET HG3 5.48 (#peak 737)
&rst
ixpk= 737, nxpk= 0, iat= 923,1433, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 65 TRP HE1 100 MET QE 4.68 (#peak 5424)
&rst
ixpk= 5424, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1436,1437,1438,
&end
#
# 65 TRP HE1 111 PHE HB2 5.33 (#peak 736)
&rst
ixpk= 736, nxpk= 0, iat= 923,1602, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 65 TRP HE1 111 PHE HB3 4.85 (#peak 758)
&rst
ixpk= 758, nxpk= 0, iat= 923,1603, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 65 TRP HE1 111 PHE QD 5.07 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1606,1614,
&end
#
# 65 TRP HE1 111 PHE QE 4.83 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1608,1612,
&end
#
# 65 TRP HE1 123 ILE QD1 3.86 (#peak 4689)
&rst
ixpk= 4689, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1801,1802,1803,
&end
#
# 65 TRP HE1 123 ILE QG2 4.22 (#peak 3594)
&rst
ixpk= 3594, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1794,1795,1796,
&end
#
# 65 TRP HE1 162 VAL QG1 5.83 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=2372,2373,2374,
&end
#
# 65 TRP HE1 162 VAL QG2 4.27 (#peak 3161)
&rst
ixpk= 3161, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2376,2377,2378,
&end
#
# 65 TRP HE3 100 MET QE 4.95 (#peak 5427)
&rst
ixpk= 5427, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1436,1437,1438,
&end
#
# 65 TRP HE3 116 LEU QD2 4.24 (#peak 4750)
&rst
ixpk= 4750, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1683,1684,1685,
&end
#
# 65 TRP HE3 123 ILE QD1 5.06 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1801,1802,1803,
&end
#
# 65 TRP HE3 150 ILE QG2 4.20 (#peak 4514)
&rst
ixpk= 4514, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2189,2190,2191,
&end
#
# 65 TRP HE3 66 THR HN 4.75 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 65 TRP HE3 73 ILE QD1 3.81 (#peak 4202)
&rst
ixpk= 4202, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1054,1055,1056,
&end
#
# 65 TRP HH2 111 PHE HB2 5.84 (#peak 2859)
&rst
ixpk= 2859, nxpk= 0, iat= 928,1602, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 65 TRP HH2 113 THR QG2 3.47 (#peak 2702)
&rst
ixpk= 2702, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1638,1639,1640,
&end
#
# 65 TRP HH2 116 LEU QD2 4.74 (#peak 4753)
&rst
ixpk= 4753, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1683,1684,1685,
&end
#
# 65 TRP HH2 121 TYR HB3 5.45 (#peak 3381)
&rst
ixpk= 3381, nxpk= 0, iat= 928,1750, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 65 TRP HH2 123 ILE QD1 4.50 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1801,1802,1803,
&end
#
# 65 TRP HH2 150 ILE HG12 5.39 (#peak 1467)
&rst
ixpk= 1467, nxpk= 0, iat= 928,2193, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 65 TRP HH2 150 ILE QD1 3.68 (#peak 4426)
&rst
ixpk= 4426, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2196,2197,2198,
&end
#
# 65 TRP HH2 150 ILE QG2 3.98 (#peak 4515)
&rst
ixpk= 4515, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2189,2190,2191,
&end
#
# 65 TRP HH2 152 LEU QD1 5.39 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2226,2227,2228,
&end
#
# 65 TRP HH2 152 LEU QD2 4.68 (#peak 1612)
&rst
ixpk= 1612, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2230,2231,2232,
&end
#
# 65 TRP HH2 160 ALA QB 5.70 (#peak 3849)
&rst
ixpk= 3849, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=2343,2344,2345,
&end
#
# 65 TRP HZ2 100 MET QE 5.13 (#peak 5425)
&rst
ixpk= 5425, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1436,1437,1438,
&end
#
# 65 TRP HZ2 111 PHE HB2 4.57 (#peak 2860)
&rst
ixpk= 2860, nxpk= 0, iat= 926,1602, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 TRP HZ2 111 PHE HB3 4.77 (#peak 3378)
&rst
ixpk= 3378, nxpk= 0, iat= 926,1603, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 65 TRP HZ2 113 THR QG2 3.78 (#peak 1538)
&rst
ixpk= 1538, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1638,1639,1640,
&end
#
# 65 TRP HZ2 116 LEU QD2 5.70 (#peak 4754)
&rst
ixpk= 4754, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1683,1684,1685,
&end
#
# 65 TRP HZ2 123 ILE HG12 5.43 (#peak 4688)
&rst
ixpk= 4688, nxpk= 0, iat= 926,1798, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 65 TRP HZ2 123 ILE HG13 5.59 (#peak 4836)
&rst
ixpk= 4836, nxpk= 0, iat= 926,1799, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 65 TRP HZ2 123 ILE QD1 3.65 (#peak 4688)
&rst
ixpk= 4688, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1801,1802,1803,
&end
#
# 65 TRP HZ2 150 ILE QD1 4.44 (#peak 4479)
&rst
ixpk= 4479, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2196,2197,2198,
&end
#
# 65 TRP HZ2 162 VAL QG1 5.56 (#peak 4381)
&rst
ixpk= 4381, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=2372,2373,2374,
&end
#
# 65 TRP HZ2 162 VAL QG2 4.87 (#peak 1621)
&rst
ixpk= 1621, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2376,2377,2378,
&end
#
# 65 TRP HZ3 113 THR QG2 4.32 (#peak 4542)
&rst
ixpk= 4542, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1638,1639,1640,
&end
#
# 65 TRP HZ3 116 LEU HB3 5.39 (#peak 4126)
&rst
ixpk= 4126, nxpk= 0, iat= 930,1675, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 65 TRP HZ3 116 LEU QD1 5.06 (#peak 1584)
&rst
ixpk= 1584, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1679,1680,1681,
&end
#
# 65 TRP HZ3 116 LEU QD2 3.77 (#peak 4755)
&rst
ixpk= 4755, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1683,1684,1685,
&end
#
# 65 TRP HZ3 121 TYR HB2 4.35 (#peak 2788)
&rst
ixpk= 2788, nxpk= 0, iat= 930,1749, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 65 TRP HZ3 121 TYR HB3 4.24 (#peak 3265)
&rst
ixpk= 3265, nxpk= 0, iat= 930,1750, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 65 TRP HZ3 121 TYR HE1 5.74 (#peak 1400)
&rst
ixpk= 1400, nxpk= 0, iat= 930,1755, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 65 TRP HZ3 121 TYR HE2 5.53 (#peak 1574)
&rst
ixpk= 1574, nxpk= 0, iat= 930,1760, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 65 TRP HZ3 121 TYR HH 5.90 (#peak 4860)
&rst
ixpk= 4860, nxpk= 0, iat= 930,1758, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 65 TRP HZ3 121 TYR QD 3.56 (#peak 1573)
&rst
ixpk= 1573, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1753,1762,
&end
#
# 65 TRP HZ3 122 LYS HN 5.38 (#peak 1571)
&rst
ixpk= 1571, nxpk= 0, iat= 930,1766, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 65 TRP HZ3 123 ILE QD1 5.07 (#peak 4782)
&rst
ixpk= 4782, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1801,1802,1803,
&end
#
# 65 TRP HZ3 150 ILE HG12 5.49 (#peak 3906)
&rst
ixpk= 3906, nxpk= 0, iat= 930,2193, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 65 TRP HZ3 150 ILE QD1 4.50 (#peak 4427)
&rst
ixpk= 4427, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2196,2197,2198,
&end
#
# 65 TRP HZ3 150 ILE QG2 3.77 (#peak 4516)
&rst
ixpk= 4516, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2189,2190,2191,
&end
#
# 65 TRP HZ3 152 LEU QD2 4.65 (#peak 1580)
&rst
ixpk= 1580, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2230,2231,2232,
&end
#
# 65 TRP N 100 MET O 3.3
&rst
ixpk= 1580, nxpk= 0, iat= 912,1440, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 66 THR HN 121 TYR HB3 5.64 (#peak 1505)
&rst
ixpk= 1505, nxpk= 0, iat= 937,1750, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 66 THR HN 122 LYS HN 4.47 (#peak 908)
&rst
ixpk= 908, nxpk= 0, iat= 937,1766, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 66 THR HN 122 LYS HB2 5.23 (#peak 1501)
&rst
ixpk= 1501, nxpk= 0, iat= 937,1770, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 66 THR HN 122 LYS HB3 5.40 (#peak 4135)
&rst
ixpk= 4135, nxpk= 0, iat= 937,1771, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 66 THR HN 122 LYS O 2.4
&rst
ixpk= 4135, nxpk= 0, iat= 937,1786, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 66 THR HN 123 ILE HN 5.90 (#peak 1506)
&rst
ixpk= 1506, nxpk= 0, iat= 937,1788, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 66 THR HN 123 ILE HA 4.47 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 937,1790, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 66 THR HN 123 ILE HG13 5.56 (#peak 1513)
&rst
ixpk= 1513, nxpk= 0, iat= 937,1799, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 66 THR HN 123 ILE QG2 5.12 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1794,1795,1796,
&end
#
# 66 THR HN 124 TYR HN 5.32 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat= 937,1807, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 66 THR HN 124 TYR QD 4.83 (#peak 53)
&rst
ixpk= 53, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1815,1824,
&end
#
# 66 THR HN 124 TYR QE 5.31 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1817,1822,
&end
#
# 66 THR HN 66 THR QG2 3.91 (#peak 3069)
&rst
ixpk= 3069, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 943, 944, 945,
&end
#
# 66 THR HN 67 ASN HN 5.50 (#peak 508)
&rst
ixpk= 508, nxpk= 0, iat= 937, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 THR HN 73 ILE QD1 5.24 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1054,1055,1056,
&end
#
# 66 THR HN 84 ILE QD1 5.90 (#peak 4657)
&rst
ixpk= 4657, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1208,1209,1210,
&end
#
# 66 THR HA 124 TYR QD 5.69 (#peak 1701)
&rst
ixpk= 1701, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1815,1824,
&end
#
# 66 THR HA 66 THR QG2 3.23 (#peak 3100)
&rst
ixpk= 3100, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 943, 944, 945,
&end
#
# 66 THR HA 71 GLU HN 4.85 (#peak 838)
&rst
ixpk= 838, nxpk= 0, iat= 939,1007, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 66 THR HA 72 ILE HN 5.90 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat= 939,1022, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 66 THR HA 72 ILE HA 3.86 (#peak 4395)
&rst
ixpk= 4395, nxpk= 0, iat= 939,1024, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 66 THR HA 72 ILE QG2 4.95 (#peak 3901)
&rst
ixpk= 3901, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1028,1029,1030,
&end
#
# 66 THR HA 73 ILE HN 4.00 (#peak 5156)
&rst
ixpk= 5156, nxpk= 0, iat= 939,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 THR HA 73 ILE HG12 5.08 (#peak 3908)
&rst
ixpk= 3908, nxpk= 0, iat= 939,1051, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 66 THR HA 73 ILE HG13 3.61 (#peak 1712)
&rst
ixpk= 1712, nxpk= 0, iat= 939,1052, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 66 THR HA 73 ILE QD1 5.01 (#peak 1702)
&rst
ixpk= 1702, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1054,1055,1056,
&end
#
# 66 THR HA 73 ILE QG2 5.06 (#peak 1698)
&rst
ixpk= 1698, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1047,1048,1049,
&end
#
# 66 THR HA 84 ILE QD1 5.41 (#peak 4655)
&rst
ixpk= 4655, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1208,1209,1210,
&end
#
# 66 THR HB 122 LYS HB2 5.14 (#peak 2266)
&rst
ixpk= 2266, nxpk= 0, iat= 941,1770, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 66 THR HB 124 TYR QD 5.04 (#peak 2453)
&rst
ixpk= 2453, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1815,1824,
&end
#
# 66 THR HB 124 TYR QE 4.84 (#peak 2213)
&rst
ixpk= 2213, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1817,1822,
&end
#
# 66 THR HB 67 ASN HN 3.86 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat= 941, 951, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 66 THR HB 67 ASN HA 5.60 (#peak 1764)
&rst
ixpk= 1764, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 66 THR HB 70 ASN HN 4.67 (#peak 2452)
&rst
ixpk= 2452, nxpk= 0, iat= 941, 993, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 66 THR HB 70 ASN HA 3.09 (#peak 687)
&rst
ixpk= 687, nxpk= 0, iat= 941, 995, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 66 THR HB 71 GLU HN 4.05 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= 941,1007, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 66 THR HB 71 GLU QB 5.14 (#peak 2221)
&rst
ixpk= 2221, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1011,1012,
&end
#
# 66 THR HB 73 ILE HN 5.58 (#peak 1093)
&rst
ixpk= 1093, nxpk= 0, iat= 941,1041, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 66 THR N 122 LYS O 3.3
&rst
ixpk= 1093, nxpk= 0, iat= 936,1786, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 66 THR QG2 124 TYR HB2 4.49 (#peak 3074)
&rst
ixpk= 3074, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 124 TYR QD 3.17 (#peak 4265)
&rst
ixpk= 4265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 943, 944, 945,
igr2=1815,1824,
&end
#
# 66 THR QG2 124 TYR QE 3.54 (#peak 3071)
&rst
ixpk= 3071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 943, 944, 945,
igr2=1817,1822,
&end
#
# 66 THR QG2 67 ASN HN 3.77 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 70 ASN HN 4.97 (#peak 862)
&rst
ixpk= 862, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 70 ASN HA 4.67 (#peak 660)
&rst
ixpk= 660, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 70 ASN HB3 4.14 (#peak 3073)
&rst
ixpk= 3073, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 71 GLU HN 4.10 (#peak 836)
&rst
ixpk= 836, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 72 ILE HN 4.18 (#peak 3098)
&rst
ixpk= 3098, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 72 ILE HA 3.10 (#peak 3085)
&rst
ixpk= 3085, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 73 ILE HN 4.20 (#peak 3111)
&rst
ixpk= 3111, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 943, 944, 945,
&end
#
# 66 THR QG2 84 ILE QD1 2.53 (#peak 4910)
&rst
ixpk= 4910, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 943, 944, 945,
igr2=1208,1209,1210,
&end
#
# 66 THR QG2 84 ILE QG2 4.29 (#peak 3104)
&rst
ixpk= 3104, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 943, 944, 945,
igr2=1201,1202,1203,
&end
#
# 67 ASN HN 121 TYR HA 4.96 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat= 951,1747, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 67 ASN HN 69 ASN HN 5.48 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat= 951, 979, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 67 ASN HN 70 ASN HN 5.44 (#peak 1444)
&rst
ixpk= 1444, nxpk= 0, iat= 951, 993, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 ASN HN 71 GLU HN 3.93 (#peak 829)
&rst
ixpk= 829, nxpk= 0, iat= 951,1007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 67 ASN HN 71 GLU QB 4.70 (#peak 1179)
&rst
ixpk= 1179, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1011,1012,
&end
#
# 67 ASN HN 73 ILE HN 5.25 (#peak 1183)
&rst
ixpk= 1183, nxpk= 0, iat= 951,1041, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 67 ASN HA 121 TYR HA 3.84 (#peak 5504)
&rst
ixpk= 5504, nxpk= 0, iat= 953,1747, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 67 ASN HA 121 TYR HB2 5.90 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= 953,1749, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 67 ASN HA 121 TYR QD 4.46 (#peak 1562)
&rst
ixpk= 1562, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1753,1762,
&end
#
# 67 ASN HA 122 LYS HN 5.34 (#peak 1750)
&rst
ixpk= 1750, nxpk= 0, iat= 953,1766, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 67 ASN HA 122 LYS HB2 5.27 (#peak 1760)
&rst
ixpk= 1760, nxpk= 0, iat= 953,1770, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 67 ASN HA 67 ASN HD21 4.80 (#peak 1757)
&rst
ixpk= 1757, nxpk= 0, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 ASN HA 67 ASN HD22 4.31 (#peak 1755)
&rst
ixpk= 1755, nxpk= 0, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 67 ASN HA 69 ASN HN 4.42 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= 953, 979, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 67 ASN HA 71 GLU HN 4.94 (#peak 1561)
&rst
ixpk= 1561, nxpk= 0, iat= 953,1007, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 67 ASN HA 73 ILE QG2 5.13 (#peak 4018)
&rst
ixpk= 4018, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1047,1048,1049,
&end
#
# 67 ASN HB2 71 GLU HN 3.96 (#peak 4627)
&rst
ixpk= 4627, nxpk= 0, iat= 955,1007, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 67 ASN HB2 73 ILE QG2 4.52 (#peak 4020)
&rst
ixpk= 4020, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1047,1048,1049,
&end
#
# 67 ASN HB3 68 THR HN 4.60 (#peak 2915)
&rst
ixpk= 2915, nxpk= 0, iat= 956, 965, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 67 ASN HB3 68 THR HA 4.76 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat= 956, 967, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 67 ASN HB3 71 GLU HN 4.55 (#peak 4602)
&rst
ixpk= 4602, nxpk= 0, iat= 956,1007, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 67 ASN HB3 71 GLU QB 4.51 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1011,1012,
&end
#
# 67 ASN HB3 73 ILE QG2 4.70 (#peak 4635)
&rst
ixpk= 4635, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1047,1048,1049,
&end
#
# 67 ASN HD21 121 TYR HA 4.22 (#peak 1927)
&rst
ixpk= 1927, nxpk= 0, iat= 960,1747, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 67 ASN HD21 121 TYR HB3 5.47 (#peak 3279)
&rst
ixpk= 3279, nxpk= 0, iat= 960,1750, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 67 ASN HD21 122 LYS HN 5.90 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat= 960,1766, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 67 ASN HD21 73 ILE HG12 5.03 (#peak 1403)
&rst
ixpk= 1403, nxpk= 0, iat= 960,1051, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 67 ASN HD21 73 ILE QD1 3.65 (#peak 4285)
&rst
ixpk= 4285, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1054,1055,1056,
&end
#
# 67 ASN HD21 73 ILE QG2 4.74 (#peak 4015)
&rst
ixpk= 4015, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1047,1048,1049,
&end
#
# 67 ASN HD22 121 TYR HB3 4.86 (#peak 3357)
&rst
ixpk= 3357, nxpk= 0, iat= 961,1750, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 67 ASN HD22 73 ILE QD1 3.93 (#peak 5380)
&rst
ixpk= 5380, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1054,1055,1056,
&end
#
# 68 THR HN 121 TYR HA 5.21 (#peak 1404)
&rst
ixpk= 1404, nxpk= 0, iat= 965,1747, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 68 THR HN 68 THR QG2 3.33 (#peak 4122)
&rst
ixpk= 4122, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 971, 972, 973,
&end
#
# 68 THR HN 69 ASN HN 4.61 (#peak 936)
&rst
ixpk= 936, nxpk= 0, iat= 965, 979, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 68 THR HA 122 LYS HB2 4.82 (#peak 4147)
&rst
ixpk= 4147, nxpk= 0, iat= 967,1770, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 68 THR HA 122 LYS HD2 4.07 (#peak 951)
&rst
ixpk= 951, nxpk= 0, iat= 967,1776, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 THR HA 122 LYS HD3 4.86 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat= 967,1777, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 68 THR HA 122 LYS QE 3.16 (#peak 3673)
&rst
ixpk= 3673, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1779,1780,
&end
#
# 68 THR HA 122 LYS QG 4.51 (#peak 1889)
&rst
ixpk= 1889, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1773,1774,
&end
#
# 68 THR HA 68 THR QG2 3.14 (#peak 4169)
&rst
ixpk= 4169, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 971, 972, 973,
&end
#
# 68 THR HA 70 ASN HN 4.67 (#peak 1458)
&rst
ixpk= 1458, nxpk= 0, iat= 967, 993, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 68 THR HB 120 LYS HB2 4.83 (#peak 3230)
&rst
ixpk= 3230, nxpk= 0, iat= 969,1727, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 68 THR HB 122 LYS QE 4.18 (#peak 3272)
&rst
ixpk= 3272, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1779,1780,
&end
#
# 68 THR HB 69 ASN HN 4.69 (#peak 943)
&rst
ixpk= 943, nxpk= 0, iat= 969, 979, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 68 THR QG2 120 LYS HN 4.49 (#peak 4111)
&rst
ixpk= 4111, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 971, 972, 973,
&end
#
# 68 THR QG2 120 LYS HB2 3.91 (#peak 2653)
&rst
ixpk= 2653, nxpk= 0, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 971, 972, 973,
&end
#
# 68 THR QG2 120 LYS HB3 4.16 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 971, 972, 973,
&end
#
# 68 THR QG2 122 LYS QE 4.68 (#peak 2651)
&rst
ixpk= 2651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 971, 972, 973,
igr2=1779,1780,
&end
#
# 68 THR QG2 69 ASN HN 4.02 (#peak 4102)
&rst
ixpk= 4102, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 971, 972, 973,
&end
#
# 68 THR QG2 70 ASN HN 5.68 (#peak 1455)
&rst
ixpk= 1455, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 971, 972, 973,
&end
#
# 69 ASN HN 122 LYS QE 5.83 (#peak 947)
&rst
ixpk= 947, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1779,1780,
&end
#
# 69 ASN HN 69 ASN HB2 3.66 (#peak 4550)
&rst
ixpk= 4550, nxpk= 0, iat= 979, 983, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 69 ASN HN 69 ASN HB3 3.68 (#peak 1015)
&rst
ixpk= 1015, nxpk= 0, iat= 979, 984, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 69 ASN HN 69 ASN HD21 5.90 (#peak 1580)
&rst
ixpk= 1580, nxpk= 0, iat= 979, 988, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 69 ASN HN 69 ASN HD22 4.74 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 69 ASN HN 70 ASN HN 3.84 (#peak 855)
&rst
ixpk= 855, nxpk= 0, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 69 ASN HN 70 ASN HA 4.98 (#peak 942)
&rst
ixpk= 942, nxpk= 0, iat= 979, 995, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 69 ASN HN 71 GLU HN 4.36 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= 979,1007, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 69 ASN HN 71 GLU QB 4.69 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1011,1012,
&end
#
# 69 ASN HA 69 ASN HD21 5.09 (#peak 1873)
&rst
ixpk= 1873, nxpk= 0, iat= 981, 988, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 69 ASN HA 69 ASN HD22 5.22 (#peak 1880)
&rst
ixpk= 1880, nxpk= 0, iat= 981, 989, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 69 ASN HA 71 GLU HN 4.98 (#peak 1879)
&rst
ixpk= 1879, nxpk= 0, iat= 981,1007, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 69 ASN HB2 69 ASN HD21 4.06 (#peak 2869)
&rst
ixpk= 2869, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 69 ASN HB2 70 ASN HN 5.00 (#peak 2868)
&rst
ixpk= 2868, nxpk= 0, iat= 983, 993, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 ASN HB2 71 GLU HN 4.69 (#peak 4548)
&rst
ixpk= 4548, nxpk= 0, iat= 983,1007, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 69 ASN HB2 71 GLU QB 4.78 (#peak 4575)
&rst
ixpk= 4575, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1011,1012,
&end
#
# 69 ASN HB2 71 GLU QG 4.86 (#peak 2863)
&rst
ixpk= 2863, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1014,1015,
&end
#
# 69 ASN HB3 69 ASN HD21 3.98 (#peak 3162)
&rst
ixpk= 3162, nxpk= 0, iat= 984, 988, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 69 ASN HB3 70 ASN HN 4.64 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat= 984, 993, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 ASN HB3 71 GLU HN 4.92 (#peak 759)
&rst
ixpk= 759, nxpk= 0, iat= 984,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 69 ASN HB3 71 GLU QB 5.04 (#peak 4531)
&rst
ixpk= 4531, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1011,1012,
&end
#
# 69 ASN HB3 71 GLU QG 4.99 (#peak 4990)
&rst
ixpk= 4990, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1014,1015,
&end
#
# 70 ASN HN 122 LYS HB2 4.70 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat= 993,1770, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 70 ASN HN 122 LYS HD2 5.90 (#peak 1453)
&rst
ixpk= 1453, nxpk= 0, iat= 993,1776, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 70 ASN HN 122 LYS HD3 5.90 (#peak 1454)
&rst
ixpk= 1454, nxpk= 0, iat= 993,1777, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 70 ASN HN 122 LYS QG 5.68 (#peak 4176)
&rst
ixpk= 4176, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1773,1774,
&end
#
# 70 ASN HN 124 TYR QE 5.06 (#peak 856)
&rst
ixpk= 856, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1817,1822,
&end
#
# 70 ASN HN 71 GLU HN 3.84 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat= 993,1007, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 70 ASN HN 83 ASN HD22 4.90 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat= 993,1191, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 70 ASN HA 124 TYR QD 5.22 (#peak 2153)
&rst
ixpk= 2153, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1815,1824,
&end
#
# 70 ASN HA 124 TYR QE 4.24 (#peak 2150)
&rst
ixpk= 2150, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1817,1822,
&end
#
# 70 ASN HA 70 ASN HD22 4.12 (#peak 722)
&rst
ixpk= 722, nxpk= 0, iat= 995,1003, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 70 ASN HA 83 ASN HD22 4.67 (#peak 1333)
&rst
ixpk= 1333, nxpk= 0, iat= 995,1191, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 70 ASN HB2 71 GLU HN 4.98 (#peak 2779)
&rst
ixpk= 2779, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 70 ASN HB2 83 ASN HA 5.85 (#peak 2772)
&rst
ixpk= 2772, nxpk= 0, iat= 997,1183, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 70 ASN HB2 83 ASN HD22 5.48 (#peak 2782)
&rst
ixpk= 2782, nxpk= 0, iat= 997,1191, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 70 ASN HB2 84 ILE HN 4.44 (#peak 901)
&rst
ixpk= 901, nxpk= 0, iat= 997,1195, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 ASN HB2 84 ILE HB 4.90 (#peak 2778)
&rst
ixpk= 2778, nxpk= 0, iat= 997,1199, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 70 ASN HB2 84 ILE QD1 5.90 (#peak 1720)
&rst
ixpk= 1720, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1208,1209,1210,
&end
#
# 70 ASN HB2 84 ILE QG2 5.16 (#peak 854)
&rst
ixpk= 854, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1201,1202,1203,
&end
#
# 70 ASN HB3 71 GLU HN 4.92 (#peak 2809)
&rst
ixpk= 2809, nxpk= 0, iat= 998,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 70 ASN HB3 83 ASN HA 5.90 (#peak 2812)
&rst
ixpk= 2812, nxpk= 0, iat= 998,1183, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 70 ASN HB3 84 ILE HN 4.75 (#peak 2813)
&rst
ixpk= 2813, nxpk= 0, iat= 998,1195, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 70 ASN HB3 84 ILE HB 5.40 (#peak 2820)
&rst
ixpk= 2820, nxpk= 0, iat= 998,1199, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 70 ASN HB3 84 ILE QD1 5.18 (#peak 2821)
&rst
ixpk= 2821, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1208,1209,1210,
&end
#
# 70 ASN HB3 84 ILE QG2 4.89 (#peak 4411)
&rst
ixpk= 4411, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1201,1202,1203,
&end
#
# 70 ASN HD21 122 LYS QG 5.59 (#peak 4175)
&rst
ixpk= 4175, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1773,1774,
&end
#
# 70 ASN HD22 122 LYS HD2 3.84 (#peak 3683)
&rst
ixpk= 3683, nxpk= 0, iat=1003,1776, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 70 ASN HD22 122 LYS QG 5.18 (#peak 4177)
&rst
ixpk= 4177, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1773,1774,
&end
#
# 70 ASN HD22 83 ASN HD22 5.90 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat=1003,1191, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 70 ASN HD22 86 PRO HB2 5.70 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat=1003,1233, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 71 GLU HN 71 GLU QB 3.28 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1011,1012,
&end
#
# 71 GLU HN 71 GLU QG 4.38 (#peak 4960)
&rst
ixpk= 4960, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1014,1015,
&end
#
# 71 GLU HN 72 ILE HN 5.37 (#peak 318)
&rst
ixpk= 318, nxpk= 0, iat=1007,1022, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 71 GLU HN 83 ASN HA 5.14 (#peak 832)
&rst
ixpk= 832, nxpk= 0, iat=1007,1183, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 71 GLU HN 83 ASN HD22 5.38 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat=1007,1191, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 71 GLU HA 71 GLU QG 3.63 (#peak 4955)
&rst
ixpk= 4955, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1014,1015,
&end
#
# 71 GLU HA 72 ILE HG13 3.87 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat=1009,1033, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 71 GLU HA 73 ILE HN 5.90 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat=1009,1041, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 71 GLU HA 82 VAL HN 5.33 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat=1009,1165, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 71 GLU HA 83 ASN HA 3.33 (#peak 634)
&rst
ixpk= 634, nxpk= 0, iat=1009,1183, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 71 GLU HA 83 ASN HB2 4.45 (#peak 3884)
&rst
ixpk= 3884, nxpk= 0, iat=1009,1185, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 71 GLU HA 83 ASN HB3 4.88 (#peak 3832)
&rst
ixpk= 3832, nxpk= 0, iat=1009,1186, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 71 GLU HA 83 ASN HD21 5.88 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat=1009,1190, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 71 GLU HA 83 ASN HD22 5.87 (#peak 1318)
&rst
ixpk= 1318, nxpk= 0, iat=1009,1191, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 71 GLU HA 84 ILE HN 4.38 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat=1009,1195, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 71 GLU HA 84 ILE QD1 5.75 (#peak 2096)
&rst
ixpk= 2096, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1208,1209,1210,
&end
#
# 71 GLU QB 72 ILE HN 4.72 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1011,1012,
&end
#
# 71 GLU QB 72 ILE HA 5.08 (#peak 4420)
&rst
ixpk= 4420, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1011,1012,
&end
#
# 71 GLU QB 73 ILE HN 4.83 (#peak 3564)
&rst
ixpk= 3564, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1011,1012,
&end
#
# 71 GLU QB 73 ILE QG2 4.18 (#peak 867)
&rst
ixpk= 867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1011,1012,
igr2=1047,1048,1049,
&end
#
# 71 GLU QB 81 GLY HN 5.49 (#peak 1470)
&rst
ixpk= 1470, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1011,1012,
&end
#
# 71 GLU QB 82 VAL HN 5.26 (#peak 1078)
&rst
ixpk= 1078, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1011,1012,
&end
#
# 71 GLU QB 83 ASN HA 5.30 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1011,1012,
&end
#
# 71 GLU QB 83 ASN HD22 5.88 (#peak 1337)
&rst
ixpk= 1337, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1011,1012,
&end
#
# 71 GLU QG 72 ILE HN 4.23 (#peak 4942)
&rst
ixpk= 4942, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1014,1015,
&end
#
# 71 GLU QG 81 GLY HN 4.71 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1014,1015,
&end
#
# 71 GLU QG 81 GLY HA2 4.99 (#peak 2626)
&rst
ixpk= 2626, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1014,1015,
&end
#
# 71 GLU QG 82 VAL HN 4.08 (#peak 1077)
&rst
ixpk= 1077, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1014,1015,
&end
#
# 71 GLU QG 83 ASN HN 5.90 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1014,1015,
&end
#
# 71 GLU QG 83 ASN HA 4.76 (#peak 1629)
&rst
ixpk= 1629, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1014,1015,
&end
#
# 71 GLU QG 83 ASN HD21 5.90 (#peak 1081)
&rst
ixpk= 1081, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1014,1015,
&end
#
# 71 GLU QG 83 ASN HD22 4.70 (#peak 1340)
&rst
ixpk= 1340, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1014,1015,
&end
#
# 71 GLU QG 84 ILE HN 5.30 (#peak 926)
&rst
ixpk= 926, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1014,1015,
&end
#
# 72 ILE HN 72 ILE HB 3.71 (#peak 4610)
&rst
ixpk= 4610, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 72 ILE HN 72 ILE HG12 3.46 (#peak 4274)
&rst
ixpk= 4274, nxpk= 0, iat=1022,1032, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 72 ILE HN 72 ILE HG13 4.24 (#peak 1120)
&rst
ixpk= 1120, nxpk= 0, iat=1022,1033, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 72 ILE HN 72 ILE QD1 4.12 (#peak 4745)
&rst
ixpk= 4745, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1035,1036,1037,
&end
#
# 72 ILE HN 72 ILE QG2 3.85 (#peak 3899)
&rst
ixpk= 3899, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1028,1029,1030,
&end
#
# 72 ILE HN 73 ILE HN 5.47 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat=1022,1041, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 72 ILE HN 80 LEU HN 5.10 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat=1022,1139, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 72 ILE HN 80 LEU HB3 5.90 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat=1022,1144, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 72 ILE HN 82 VAL HN 4.58 (#peak 1069)
&rst
ixpk= 1069, nxpk= 0, iat=1022,1165, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 72 ILE HN 82 VAL QQG 4.22 (#peak 2919)
&rst
ixpk= 2919, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 72 ILE HN 83 ASN HN 5.29 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat=1022,1181, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 72 ILE HN 83 ASN HA 3.75 (#peak 1554)
&rst
ixpk= 1554, nxpk= 0, iat=1022,1183, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 72 ILE HN 83 ASN HB2 5.90 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat=1022,1185, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 72 ILE HN 84 ILE QD1 5.06 (#peak 329)
&rst
ixpk= 329, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1208,1209,1210,
&end
#
# 72 ILE HA 72 ILE QD1 3.93 (#peak 4749)
&rst
ixpk= 4749, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1035,1036,1037,
&end
#
# 72 ILE HA 72 ILE QG2 3.43 (#peak 3921)
&rst
ixpk= 3921, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1028,1029,1030,
&end
#
# 72 ILE HA 73 ILE HN 3.48 (#peak 4394)
&rst
ixpk= 4394, nxpk= 0, iat=1024,1041, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 72 ILE HA 73 ILE HG13 4.92 (#peak 4367)
&rst
ixpk= 4367, nxpk= 0, iat=1024,1052, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 72 ILE HA 82 VAL HN 5.90 (#peak 1634)
&rst
ixpk= 1634, nxpk= 0, iat=1024,1165, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 72 ILE HA 83 ASN HA 5.80 (#peak 4419)
&rst
ixpk= 4419, nxpk= 0, iat=1024,1183, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 72 ILE HA 84 ILE QD1 4.04 (#peak 638)
&rst
ixpk= 638, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1208,1209,1210,
&end
#
# 72 ILE HB 72 ILE QD1 3.79 (#peak 4613)
&rst
ixpk= 4613, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1035,1036,1037,
&end
#
# 72 ILE HB 73 ILE HN 5.18 (#peak 3776)
&rst
ixpk= 3776, nxpk= 0, iat=1026,1041, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 72 ILE HB 82 VAL HN 4.37 (#peak 1080)
&rst
ixpk= 1080, nxpk= 0, iat=1026,1165, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 72 ILE HB 83 ASN HA 5.45 (#peak 1631)
&rst
ixpk= 1631, nxpk= 0, iat=1026,1183, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 72 ILE HG12 83 ASN HA 4.39 (#peak 1636)
&rst
ixpk= 1636, nxpk= 0, iat=1032,1183, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 72 ILE HG12 84 ILE QD1 4.47 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1208,1209,1210,
&end
#
# 72 ILE HG13 82 VAL QQG 3.65 (#peak 2770)
&rst
ixpk= 2770, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 72 ILE HG13 83 ASN HA 5.31 (#peak 3741)
&rst
ixpk= 3741, nxpk= 0, iat=1033,1183, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 72 ILE HG13 84 ILE HG12 4.28 (#peak 1502)
&rst
ixpk= 1502, nxpk= 0, iat=1033,1205, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 72 ILE HG13 84 ILE HG13 3.96 (#peak 1145)
&rst
ixpk= 1145, nxpk= 0, iat=1033,1206, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 72 ILE HG13 84 ILE QD1 3.67 (#peak 4909)
&rst
ixpk= 4909, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1208,1209,1210,
&end
#
# 72 ILE QD1 82 VAL HN 4.54 (#peak 1083)
&rst
ixpk= 1083, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 82 VAL HA 4.68 (#peak 4394)
&rst
ixpk= 4394, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 82 VAL HB 3.88 (#peak 5213)
&rst
ixpk= 5213, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 82 VAL QQG 2.50 (#peak 4754)
&rst
ixpk= 4754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1035,1036,1037,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 72 ILE QD1 83 ASN HN 5.90 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 83 ASN HA 4.42 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 84 ILE HG13 3.79 (#peak 4720)
&rst
ixpk= 4720, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 84 ILE QD1 2.85 (#peak 4911)
&rst
ixpk= 4911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1035,1036,1037,
igr2=1208,1209,1210,
&end
#
# 72 ILE QD1 92 SER HN 4.80 (#peak 4775)
&rst
ixpk= 4775, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 93 GLY HN 5.49 (#peak 4392)
&rst
ixpk= 4392, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 95 MET HA 4.36 (#peak 4748)
&rst
ixpk= 4748, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 95 MET QE 4.23 (#peak 4751)
&rst
ixpk= 4751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1035,1036,1037,
igr2=1371,1372,1373,
&end
#
# 72 ILE QD1 96 PRO HD2 4.75 (#peak 1628)
&rst
ixpk= 1628, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 96 PRO HD3 3.43 (#peak 4395)
&rst
ixpk= 4395, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1035,1036,1037,
&end
#
# 72 ILE QD1 96 PRO QB 4.80 (#peak 4744)
&rst
ixpk= 4744, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1035,1036,1037,
igr2=1384,1385,
&end
#
# 72 ILE QG2 100 MET HN 4.36 (#peak 3924)
&rst
ixpk= 3924, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 101 LYS QE 4.59 (#peak 3517)
&rst
ixpk= 3517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1028,1029,1030,
igr2=1455,1456,
&end
#
# 72 ILE QG2 72 ILE QD1 2.83 (#peak 3903)
&rst
ixpk= 3903, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1028,1029,1030,
igr2=1035,1036,1037,
&end
#
# 72 ILE QG2 73 ILE HN 4.18 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 80 LEU HG 3.63 (#peak 1836)
&rst
ixpk= 1836, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 82 VAL HN 5.29 (#peak 4169)
&rst
ixpk= 4169, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 95 MET QE 4.98 (#peak 3934)
&rst
ixpk= 3934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1028,1029,1030,
igr2=1371,1372,1373,
&end
#
# 72 ILE QG2 96 PRO HD3 3.95 (#peak 3922)
&rst
ixpk= 3922, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 99 ALA HN 5.00 (#peak 1246)
&rst
ixpk= 1246, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 99 ALA HA 3.81 (#peak 1306)
&rst
ixpk= 1306, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1028,1029,1030,
&end
#
# 72 ILE QG2 99 ALA QB 2.80 (#peak 2792)
&rst
ixpk= 2792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1028,1029,1030,
igr2=1419,1420,1421,
&end
#
# 73 ILE HN 73 ILE HG12 3.81 (#peak 2115)
&rst
ixpk= 2115, nxpk= 0, iat=1041,1051, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 73 ILE HN 73 ILE HG13 4.63 (#peak 4353)
&rst
ixpk= 4353, nxpk= 0, iat=1041,1052, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 73 ILE HN 73 ILE QD1 4.09 (#peak 4248)
&rst
ixpk= 4248, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1054,1055,1056,
&end
#
# 73 ILE HN 73 ILE QG2 3.62 (#peak 4053)
&rst
ixpk= 4053, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1047,1048,1049,
&end
#
# 73 ILE HN 74 ASP HN 5.18 (#peak 997)
&rst
ixpk= 997, nxpk= 0, iat=1041,1060, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 73 ILE HA 73 ILE QD1 4.71 (#peak 4188)
&rst
ixpk= 4188, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1054,1055,1056,
&end
#
# 73 ILE HA 73 ILE QG2 3.17 (#peak 4016)
&rst
ixpk= 4016, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1047,1048,1049,
&end
#
# 73 ILE HA 74 ASP HN 3.38 (#peak 8)
&rst
ixpk= 8, nxpk= 0, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 73 ILE HA 74 ASP HA 5.82 (#peak 1900)
&rst
ixpk= 1900, nxpk= 0, iat=1043,1062, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 73 ILE HA 77 GLY HN 5.57 (#peak 1427)
&rst
ixpk= 1427, nxpk= 0, iat=1043,1101, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 73 ILE HA 78 GLN HN 5.07 (#peak 574)
&rst
ixpk= 574, nxpk= 0, iat=1043,1108, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 73 ILE HA 78 GLN HA 5.65 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat=1043,1110, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 73 ILE HA 78 GLN QB 5.70 (#peak 1641)
&rst
ixpk= 1641, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1112,1113,
&end
#
# 73 ILE HA 79 THR HA 3.75 (#peak 4847)
&rst
ixpk= 4847, nxpk= 0, iat=1043,1127, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 73 ILE HA 79 THR QG2 4.29 (#peak 1645)
&rst
ixpk= 1645, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1131,1132,1133,
&end
#
# 73 ILE HA 80 LEU HN 4.22 (#peak 7)
&rst
ixpk= 7, nxpk= 0, iat=1043,1139, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 73 ILE HA 80 LEU QD1 4.92 (#peak 1924)
&rst
ixpk= 1924, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1148,1149,1150,
&end
#
# 73 ILE HB 116 LEU QD1 4.84 (#peak 2473)
&rst
ixpk= 2473, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1679,1680,1681,
&end
#
# 73 ILE HB 73 ILE QD1 3.30 (#peak 4288)
&rst
ixpk= 4288, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1054,1055,1056,
&end
#
# 73 ILE HB 74 ASP HN 3.76 (#peak 3573)
&rst
ixpk= 3573, nxpk= 0, iat=1045,1060, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 ILE HB 77 GLY HN 4.63 (#peak 1435)
&rst
ixpk= 1435, nxpk= 0, iat=1045,1101, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 73 ILE HB 77 GLY HA2 5.17 (#peak 2943)
&rst
ixpk= 2943, nxpk= 0, iat=1045,1103, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 73 ILE HB 77 GLY HA3 4.53 (#peak 3535)
&rst
ixpk= 3535, nxpk= 0, iat=1045,1104, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 ILE HB 79 THR HN 5.12 (#peak 1296)
&rst
ixpk= 1296, nxpk= 0, iat=1045,1125, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 73 ILE HB 79 THR HB 5.61 (#peak 3171)
&rst
ixpk= 3171, nxpk= 0, iat=1045,1129, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 73 ILE HB 79 THR QG2 3.49 (#peak 2428)
&rst
ixpk= 2428, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1131,1132,1133,
&end
#
# 73 ILE HG12 74 ASP HN 5.27 (#peak 1016)
&rst
ixpk= 1016, nxpk= 0, iat=1051,1060, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 73 ILE HG12 79 THR QG2 4.95 (#peak 2429)
&rst
ixpk= 2429, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1131,1132,1133,
&end
#
# 73 ILE QD1 100 MET HB2 5.90 (#peak 672)
&rst
ixpk= 672, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 116 LEU QD1 3.03 (#peak 4290)
&rst
ixpk= 4290, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1054,1055,1056,
igr2=1679,1680,1681,
&end
#
# 73 ILE QD1 116 LEU QD2 4.12 (#peak 4252)
&rst
ixpk= 4252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1054,1055,1056,
igr2=1683,1684,1685,
&end
#
# 73 ILE QD1 121 TYR HE2 4.97 (#peak 1389)
&rst
ixpk= 1389, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 74 ASP HN 3.92 (#peak 1007)
&rst
ixpk= 1007, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 76 ASN HN 4.82 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 77 GLY HN 4.01 (#peak 4247)
&rst
ixpk= 4247, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 77 GLY HA2 3.59 (#peak 4249)
&rst
ixpk= 4249, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 77 GLY HA3 3.58 (#peak 4250)
&rst
ixpk= 4250, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1054,1055,1056,
&end
#
# 73 ILE QD1 78 GLN HN 4.54 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1054,1055,1056,
&end
#
# 73 ILE QG2 116 LEU QD1 5.90 (#peak 4027)
&rst
ixpk= 4027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1=1047,1048,1049,
igr2=1679,1680,1681,
&end
#
# 73 ILE QG2 73 ILE HG12 3.15 (#peak 4024)
&rst
ixpk= 4024, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 73 ILE HG13 3.05 (#peak 2065)
&rst
ixpk= 2065, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 74 ASP HN 3.91 (#peak 4243)
&rst
ixpk= 4243, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 77 GLY HN 5.58 (#peak 4241)
&rst
ixpk= 4241, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 77 GLY HA3 4.73 (#peak 2832)
&rst
ixpk= 2832, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 79 THR HN 4.57 (#peak 1298)
&rst
ixpk= 1298, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 79 THR HA 2.87 (#peak 5401)
&rst
ixpk= 5401, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 79 THR HB 4.96 (#peak 3140)
&rst
ixpk= 3140, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1047,1048,1049,
&end
#
# 73 ILE QG2 79 THR QG2 2.73 (#peak 4025)
&rst
ixpk= 4025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1047,1048,1049,
igr2=1131,1132,1133,
&end
#
# 74 ASP HN 100 MET HN 5.49 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat=1060,1425, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 74 ASP HN 77 GLY HA2 5.87 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat=1060,1103, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 74 ASP HN 78 GLN HN 4.30 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat=1060,1108, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 ASP HN 78 GLN HA 5.44 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat=1060,1110, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 74 ASP HN 78 GLN QB 5.12 (#peak 1220)
&rst
ixpk= 1220, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1112,1113,
&end
#
# 74 ASP HN 79 THR HA 5.86 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat=1060,1127, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 74 ASP HN 79 THR HB 5.90 (#peak 3137)
&rst
ixpk= 3137, nxpk= 0, iat=1060,1129, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 74 ASP HN 79 THR QG2 4.82 (#peak 2425)
&rst
ixpk= 2425, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1131,1132,1133,
&end
#
# 74 ASP HN 80 LEU HN 5.43 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat=1060,1139, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 74 ASP HN 80 LEU HG 5.43 (#peak 1636)
&rst
ixpk= 1636, nxpk= 0, iat=1060,1146, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 74 ASP HN 80 LEU QD1 4.64 (#peak 999)
&rst
ixpk= 999, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1148,1149,1150,
&end
#
# 74 ASP HN 80 LEU QD2 3.88 (#peak 2807)
&rst
ixpk= 2807, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1152,1153,1154,
&end
#
# 74 ASP HA 100 MET HN 4.06 (#peak 1899)
&rst
ixpk= 1899, nxpk= 0, iat=1062,1425, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 74 ASP HA 100 MET HB3 4.51 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat=1062,1430, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 74 ASP HA 100 MET HG2 5.67 (#peak 210)
&rst
ixpk= 210, nxpk= 0, iat=1062,1432, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 74 ASP HA 75 GLU HA 4.55 (#peak 1901)
&rst
ixpk= 1901, nxpk= 0, iat=1062,1074, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 74 ASP HA 80 LEU QD2 3.94 (#peak 1904)
&rst
ixpk= 1904, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1152,1153,1154,
&end
#
# 74 ASP HA 99 ALA HA 4.10 (#peak 1304)
&rst
ixpk= 1304, nxpk= 0, iat=1062,1417, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 74 ASP HB2 100 MET HN 5.31 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=1064,1425, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 74 ASP HB2 75 GLU HN 3.85 (#peak 3608)
&rst
ixpk= 3608, nxpk= 0, iat=1064,1072, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 74 ASP HB2 76 ASN HN 4.91 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat=1064,1087, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 74 ASP HB2 80 LEU HG 5.15 (#peak 1799)
&rst
ixpk= 1799, nxpk= 0, iat=1064,1146, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 74 ASP HB2 80 LEU QD2 4.03 (#peak 2810)
&rst
ixpk= 2810, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1152,1153,1154,
&end
#
# 74 ASP HB3 100 MET HN 5.46 (#peak 3127)
&rst
ixpk= 3127, nxpk= 0, iat=1065,1425, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 74 ASP HB3 75 GLU HN 3.89 (#peak 1210)
&rst
ixpk= 1210, nxpk= 0, iat=1065,1072, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 74 ASP HB3 76 ASN HN 5.33 (#peak 3567)
&rst
ixpk= 3567, nxpk= 0, iat=1065,1087, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 74 ASP HB3 80 LEU QD2 3.93 (#peak 2772)
&rst
ixpk= 2772, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1152,1153,1154,
&end
#
# 74 ASP HB3 99 ALA HA 5.90 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat=1065,1417, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 75 GLU HN 100 MET HN 4.94 (#peak 1204)
&rst
ixpk= 1204, nxpk= 0, iat=1072,1425, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 75 GLU HN 100 MET HB2 4.72 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat=1072,1429, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 75 GLU HN 100 MET HB3 5.06 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat=1072,1430, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 75 GLU HN 75 GLU HB2 4.01 (#peak 1076)
&rst
ixpk= 1076, nxpk= 0, iat=1072,1076, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 75 GLU HN 75 GLU HB3 3.79 (#peak 1213)
&rst
ixpk= 1213, nxpk= 0, iat=1072,1077, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 75 GLU HN 75 GLU HG2 3.76 (#peak 5138)
&rst
ixpk= 5138, nxpk= 0, iat=1072,1079, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 75 GLU HN 75 GLU HG3 3.91 (#peak 5113)
&rst
ixpk= 5113, nxpk= 0, iat=1072,1080, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 75 GLU HN 76 ASN HN 4.37 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat=1072,1087, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 75 GLU HN 99 ALA HA 5.45 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat=1072,1417, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 75 GLU HA 100 MET HB3 4.63 (#peak 132)
&rst
ixpk= 132, nxpk= 0, iat=1074,1430, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 75 GLU HA 100 MET QE 3.96 (#peak 2144)
&rst
ixpk= 2144, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1436,1437,1438,
&end
#
# 75 GLU HA 116 LEU QD1 3.66 (#peak 86)
&rst
ixpk= 86, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1679,1680,1681,
&end
#
# 75 GLU HA 116 LEU QD2 4.74 (#peak 2133)
&rst
ixpk= 2133, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1683,1684,1685,
&end
#
# 75 GLU HA 75 GLU HG3 4.00 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat=1074,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 GLU HA 77 GLY HN 4.51 (#peak 97)
&rst
ixpk= 97, nxpk= 0, iat=1074,1101, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 75 GLU HB2 100 MET QE 4.50 (#peak 3496)
&rst
ixpk= 3496, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1436,1437,1438,
&end
#
# 75 GLU HB3 100 MET QE 3.33 (#peak 3559)
&rst
ixpk= 3559, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1436,1437,1438,
&end
#
# 75 GLU HB3 116 LEU QD1 5.22 (#peak 4628)
&rst
ixpk= 4628, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1679,1680,1681,
&end
#
# 75 GLU HB3 116 LEU QD2 4.63 (#peak 4759)
&rst
ixpk= 4759, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1683,1684,1685,
&end
#
# 75 GLU HB3 76 ASN HN 4.48 (#peak 1196)
&rst
ixpk= 1196, nxpk= 0, iat=1077,1087, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 75 GLU HG2 100 MET QE 4.94 (#peak 3357)
&rst
ixpk= 3357, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1436,1437,1438,
&end
#
# 75 GLU HG2 76 ASN HN 4.79 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat=1079,1087, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 75 GLU HG2 76 ASN HD21 5.90 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat=1079,1096, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 75 GLU HG2 76 ASN HD22 4.63 (#peak 5034)
&rst
ixpk= 5034, nxpk= 0, iat=1079,1097, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 75 GLU HG3 100 MET QE 5.43 (#peak 4570)
&rst
ixpk= 4570, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1436,1437,1438,
&end
#
# 75 GLU HG3 76 ASN HA 4.72 (#peak 5141)
&rst
ixpk= 5141, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 76 ASN HN 116 LEU QD1 4.29 (#peak 1198)
&rst
ixpk= 1198, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1679,1680,1681,
&end
#
# 76 ASN HN 76 ASN HB2 3.75 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat=1087,1091, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 76 ASN HN 76 ASN HB3 3.62 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat=1087,1092, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 76 ASN HN 76 ASN HD21 4.66 (#peak 1187)
&rst
ixpk= 1187, nxpk= 0, iat=1087,1096, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 ASN HN 76 ASN HD22 4.46 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 76 ASN HN 77 GLY HN 3.43 (#peak 1185)
&rst
ixpk= 1185, nxpk= 0, iat=1087,1101, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 76 ASN HN 77 GLY HA2 4.79 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat=1087,1103, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 76 ASN HN 77 GLY HA3 5.20 (#peak 1191)
&rst
ixpk= 1191, nxpk= 0, iat=1087,1104, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 76 ASN HN 78 GLN QB 5.29 (#peak 1195)
&rst
ixpk= 1195, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1112,1113,
&end
#
# 76 ASN HA 115 ASN HB3 4.58 (#peak 1883)
&rst
ixpk= 1883, nxpk= 0, iat=1089,1661, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 76 ASN HA 115 ASN HD21 5.59 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat=1089,1665, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 76 ASN HA 116 LEU HA 4.14 (#peak 1237)
&rst
ixpk= 1237, nxpk= 0, iat=1089,1672, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 76 ASN HA 116 LEU QD1 3.97 (#peak 1892)
&rst
ixpk= 1892, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1679,1680,1681,
&end
#
# 76 ASN HA 76 ASN HD21 4.86 (#peak 1894)
&rst
ixpk= 1894, nxpk= 0, iat=1089,1096, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 76 ASN HB2 77 GLY HN 4.97 (#peak 1432)
&rst
ixpk= 1432, nxpk= 0, iat=1091,1101, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 76 ASN HB2 78 GLN HN 5.02 (#peak 2993)
&rst
ixpk= 2993, nxpk= 0, iat=1091,1108, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 76 ASN HB3 76 ASN HD22 3.94 (#peak 3082)
&rst
ixpk= 3082, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 76 ASN HB3 77 GLY HN 4.70 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=1092,1101, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 76 ASN HD22 78 GLN HN 5.17 (#peak 1221)
&rst
ixpk= 1221, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 77 GLY HN 116 LEU QD1 3.36 (#peak 2421)
&rst
ixpk= 2421, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1679,1680,1681,
&end
#
# 77 GLY HN 116 LEU QD2 5.18 (#peak 4746)
&rst
ixpk= 4746, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1683,1684,1685,
&end
#
# 77 GLY HN 78 GLN QB 4.95 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1112,1113,
&end
#
# 77 GLY HA3 116 LEU QD1 3.91 (#peak 2857)
&rst
ixpk= 2857, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1679,1680,1681,
&end
#
# 78 GLN HN 116 LEU QD1 5.00 (#peak 4613)
&rst
ixpk= 4613, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1679,1680,1681,
&end
#
# 78 GLN HN 78 GLN HG3 4.63 (#peak 32)
&rst
ixpk= 32, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 78 GLN HN 78 GLN QB 3.26 (#peak 1243)
&rst
ixpk= 1243, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1112,1113,
&end
#
# 78 GLN HN 79 THR HN 4.60 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 78 GLN HA 78 GLN HG2 4.08 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 78 GLN HA 78 GLN HG3 3.60 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 78 GLN HA 78 GLN QB 2.98 (#peak 3405)
&rst
ixpk= 3405, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1112,1113,
&end
#
# 78 GLN HA 79 THR HN 2.83 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 78 GLN HA 79 THR QG2 4.68 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1131,1132,1133,
&end
#
# 78 GLN HE21 79 THR HN 5.81 (#peak 1279)
&rst
ixpk= 1279, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 78 GLN HE22 80 LEU QD2 5.68 (#peak 1262)
&rst
ixpk= 1262, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1152,1153,1154,
&end
#
# 78 GLN HG2 79 THR HN 4.49 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 78 GLN HG2 80 LEU HA 5.10 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 78 GLN HG2 80 LEU QD2 4.70 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1152,1153,1154,
&end
#
# 78 GLN HG3 80 LEU QD2 4.65 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1152,1153,1154,
&end
#
# 78 GLN QB 78 GLN HE22 4.55 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1112,1113,
&end
#
# 78 GLN QB 79 THR HN 3.99 (#peak 1295)
&rst
ixpk= 1295, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1112,1113,
&end
#
# 78 GLN QB 80 LEU QD2 3.85 (#peak 2812)
&rst
ixpk= 2812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1112,1113,
igr2=1152,1153,1154,
&end
#
# 79 THR HN 79 THR HB 3.65 (#peak 3169)
&rst
ixpk= 3169, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 79 THR HN 79 THR QG2 3.24 (#peak 1297)
&rst
ixpk= 1297, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1131,1132,1133,
&end
#
# 79 THR HN 80 LEU QD1 5.90 (#peak 1281)
&rst
ixpk= 1281, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1148,1149,1150,
&end
#
# 79 THR HN 80 LEU QD2 4.98 (#peak 1299)
&rst
ixpk= 1299, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1152,1153,1154,
&end
#
# 79 THR HA 79 THR QG2 2.98 (#peak 4848)
&rst
ixpk= 4848, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1131,1132,1133,
&end
#
# 79 THR HA 80 LEU QD2 5.37 (#peak 2132)
&rst
ixpk= 2132, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1152,1153,1154,
&end
#
# 79 THR HB 81 GLY HN 4.33 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat=1129,1158, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 79 THR HB 82 VAL HN 5.90 (#peak 1073)
&rst
ixpk= 1073, nxpk= 0, iat=1129,1165, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 80 LEU HN 80 LEU HB2 3.90 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat=1139,1143, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 80 LEU HN 80 LEU HB3 4.02 (#peak 3362)
&rst
ixpk= 3362, nxpk= 0, iat=1139,1144, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 80 LEU HN 80 LEU HG 4.97 (#peak 1783)
&rst
ixpk= 1783, nxpk= 0, iat=1139,1146, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 80 LEU HN 80 LEU QD1 4.52 (#peak 1945)
&rst
ixpk= 1945, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1148,1149,1150,
&end
#
# 80 LEU HN 80 LEU QD2 3.67 (#peak 2848)
&rst
ixpk= 2848, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1152,1153,1154,
&end
#
# 80 LEU HN 81 GLY HN 4.12 (#peak 1462)
&rst
ixpk= 1462, nxpk= 0, iat=1139,1158, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 80 LEU HN 82 VAL HN 4.98 (#peak 1070)
&rst
ixpk= 1070, nxpk= 0, iat=1139,1165, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 LEU HA 80 LEU HG 4.27 (#peak 1850)
&rst
ixpk= 1850, nxpk= 0, iat=1141,1146, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 80 LEU HA 80 LEU QD1 4.60 (#peak 1946)
&rst
ixpk= 1946, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1148,1149,1150,
&end
#
# 80 LEU HA 80 LEU QD2 2.84 (#peak 2808)
&rst
ixpk= 2808, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1152,1153,1154,
&end
#
# 80 LEU HB2 81 GLY HN 4.62 (#peak 1471)
&rst
ixpk= 1471, nxpk= 0, iat=1143,1158, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 LEU HB2 82 VAL HN 4.22 (#peak 1079)
&rst
ixpk= 1079, nxpk= 0, iat=1143,1165, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 80 LEU HB3 80 LEU QD2 3.27 (#peak 2814)
&rst
ixpk= 2814, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1152,1153,1154,
&end
#
# 80 LEU HB3 81 GLY HN 4.59 (#peak 1472)
&rst
ixpk= 1472, nxpk= 0, iat=1144,1158, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 80 LEU HB3 96 PRO QB 4.88 (#peak 3392)
&rst
ixpk= 3392, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1384,1385,
&end
#
# 80 LEU HG 96 PRO HA 4.65 (#peak 4453)
&rst
ixpk= 4453, nxpk= 0, iat=1146,1387, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 80 LEU HG 96 PRO HG2 4.23 (#peak 1425)
&rst
ixpk= 1425, nxpk= 0, iat=1146,1381, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 80 LEU HG 96 PRO HG3 3.91 (#peak 1428)
&rst
ixpk= 1428, nxpk= 0, iat=1146,1382, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 80 LEU HG 96 PRO QB 3.75 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1384,1385,
&end
#
# 80 LEU HG 98 THR HN 4.98 (#peak 4450)
&rst
ixpk= 4450, nxpk= 0, iat=1146,1401, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 LEU HG 99 ALA HN 3.83 (#peak 4443)
&rst
ixpk= 4443, nxpk= 0, iat=1146,1415, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 80 LEU HG 99 ALA HA 3.42 (#peak 1833)
&rst
ixpk= 1833, nxpk= 0, iat=1146,1417, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 80 LEU QD1 96 PRO HA 4.00 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1148,1149,1150,
&end
#
# 80 LEU QD1 97 ALA HN 5.46 (#peak 3665)
&rst
ixpk= 3665, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1148,1149,1150,
&end
#
# 80 LEU QD1 97 ALA HA 5.07 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1148,1149,1150,
&end
#
# 80 LEU QD1 97 ALA QB 3.16 (#peak 3739)
&rst
ixpk= 3739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1148,1149,1150,
igr2=1395,1396,1397,
&end
#
# 80 LEU QD1 99 ALA HN 3.75 (#peak 731)
&rst
ixpk= 731, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1148,1149,1150,
&end
#
# 80 LEU QD1 99 ALA HA 4.68 (#peak 1314)
&rst
ixpk= 1314, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1148,1149,1150,
&end
#
# 80 LEU QD2 100 MET HN 5.83 (#peak 4398)
&rst
ixpk= 4398, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1152,1153,1154,
&end
#
# 80 LEU QD2 81 GLY HN 4.62 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1152,1153,1154,
&end
#
# 80 LEU QD2 82 VAL HN 5.34 (#peak 1325)
&rst
ixpk= 1325, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1152,1153,1154,
&end
#
# 80 LEU QD2 96 PRO QB 4.31 (#peak 1594)
&rst
ixpk= 1594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1152,1153,1154,
igr2=1384,1385,
&end
#
# 80 LEU QD2 98 THR HN 5.68 (#peak 908)
&rst
ixpk= 908, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1152,1153,1154,
&end
#
# 80 LEU QD2 99 ALA HA 4.16 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1152,1153,1154,
&end
#
# 81 GLY HN 82 VAL HN 3.46 (#peak 1068)
&rst
ixpk= 1068, nxpk= 0, iat=1158,1165, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 81 GLY HN 82 VAL QQG 4.58 (#peak 1473)
&rst
ixpk= 1473, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 81 GLY HA2 82 VAL QQG 5.18 (#peak 2574)
&rst
ixpk= 2574, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 81 GLY HA3 82 VAL QQG 4.28 (#peak 2661)
&rst
ixpk= 2661, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL HN 82 VAL HB 3.49 (#peak 1081)
&rst
ixpk= 1081, nxpk= 0, iat=1165,1169, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 82 VAL HN 82 VAL QQG 3.18 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL HN 83 ASN HN 4.89 (#peak 263)
&rst
ixpk= 263, nxpk= 0, iat=1165,1181, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 82 VAL HN 83 ASN HA 4.97 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat=1165,1183, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 82 VAL HA 82 VAL QQG 2.89 (#peak 2569)
&rst
ixpk= 2569, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL HA 83 ASN HN 3.16 (#peak 4842)
&rst
ixpk= 4842, nxpk= 0, iat=1167,1181, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 82 VAL HA 83 ASN HA 5.06 (#peak 4846)
&rst
ixpk= 4846, nxpk= 0, iat=1167,1183, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 VAL HB 83 ASN HN 4.79 (#peak 5227)
&rst
ixpk= 5227, nxpk= 0, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 82 VAL HB 92 SER HN 5.90 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat=1169,1332, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 82 VAL QQG 83 ASN HN 3.13 (#peak 2890)
&rst
ixpk= 2890, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 83 ASN HA 3.98 (#peak 2888)
&rst
ixpk= 2888, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 83 ASN HB2 5.01 (#peak 3787)
&rst
ixpk= 3787, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 84 ILE HG12 3.58 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 84 ILE QD1 4.47 (#peak 2922)
&rst
ixpk= 2922, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1171,1172,1173,1175,1176,1177,
igr2=1208,1209,1210,
&end
#
# 82 VAL QQG 92 SER HN 3.45 (#peak 1133)
&rst
ixpk= 1133, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 93 GLY HN 3.03 (#peak 2891)
&rst
ixpk= 2891, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 93 GLY HA3 3.69 (#peak 3377)
&rst
ixpk= 3377, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 96 PRO HA 3.99 (#peak 4562)
&rst
ixpk= 4562, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 82 VAL QQG 96 PRO QB 4.18 (#peak 2892)
&rst
ixpk= 2892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1171,1172,1173,1175,1176,1177,
igr2=1384,1385,
&end
#
# 83 ASN HN 83 ASN HB2 3.77 (#peak 3880)
&rst
ixpk= 3880, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 83 ASN HN 83 ASN HB3 4.09 (#peak 3873)
&rst
ixpk= 3873, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 83 ASN HN 83 ASN HD21 5.59 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat=1181,1190, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 83 ASN HN 84 ILE HN 5.18 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat=1181,1195, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 83 ASN HN 84 ILE HA 5.07 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat=1181,1197, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 83 ASN HN 91 LEU HA 5.41 (#peak 265)
&rst
ixpk= 265, nxpk= 0, iat=1181,1315, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 83 ASN HN 91 LEU HB3 5.90 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat=1181,1318, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 83 ASN HN 92 SER HA 4.80 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat=1181,1334, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 83 ASN HN 93 GLY HN 5.57 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat=1181,1343, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 83 ASN HA 83 ASN HD21 5.75 (#peak 1315)
&rst
ixpk= 1315, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 83 ASN HA 83 ASN HD22 4.94 (#peak 1623)
&rst
ixpk= 1623, nxpk= 0, iat=1183,1191, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 83 ASN HA 84 ILE HN 3.31 (#peak 1555)
&rst
ixpk= 1555, nxpk= 0, iat=1183,1195, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 83 ASN HA 84 ILE HA 5.00 (#peak 1560)
&rst
ixpk= 1560, nxpk= 0, iat=1183,1197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 ASN HA 84 ILE HB 4.96 (#peak 4359)
&rst
ixpk= 4359, nxpk= 0, iat=1183,1199, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 83 ASN HA 84 ILE HG12 5.12 (#peak 1513)
&rst
ixpk= 1513, nxpk= 0, iat=1183,1205, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 83 ASN HA 84 ILE HG13 5.60 (#peak 4532)
&rst
ixpk= 4532, nxpk= 0, iat=1183,1206, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 83 ASN HA 84 ILE QD1 5.15 (#peak 1634)
&rst
ixpk= 1634, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1208,1209,1210,
&end
#
# 83 ASN HA 84 ILE QG2 5.39 (#peak 4728)
&rst
ixpk= 4728, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1201,1202,1203,
&end
#
# 83 ASN HB2 84 ILE HN 3.96 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat=1185,1195, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 83 ASN HB2 92 SER HN 5.32 (#peak 1128)
&rst
ixpk= 1128, nxpk= 0, iat=1185,1332, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 83 ASN HB2 92 SER HB3 4.17 (#peak 3835)
&rst
ixpk= 3835, nxpk= 0, iat=1185,1337, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 83 ASN HB3 84 ILE HN 3.94 (#peak 3829)
&rst
ixpk= 3829, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 83 ASN HB3 92 SER HN 5.29 (#peak 1129)
&rst
ixpk= 1129, nxpk= 0, iat=1186,1332, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 83 ASN HB3 92 SER HB3 4.42 (#peak 3877)
&rst
ixpk= 3877, nxpk= 0, iat=1186,1337, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 83 ASN HD21 84 ILE HN 4.57 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 83 ASN HD22 84 ILE HN 5.03 (#peak 591)
&rst
ixpk= 591, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 84 ILE HN 84 ILE HB 3.72 (#peak 904)
&rst
ixpk= 904, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 84 ILE HN 84 ILE HG12 4.33 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat=1195,1205, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 84 ILE HN 84 ILE HG13 4.49 (#peak 1467)
&rst
ixpk= 1467, nxpk= 0, iat=1195,1206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 84 ILE HN 84 ILE QD1 4.57 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1208,1209,1210,
&end
#
# 84 ILE HN 84 ILE QG2 4.17 (#peak 907)
&rst
ixpk= 907, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1201,1202,1203,
&end
#
# 84 ILE HN 91 LEU HA 5.90 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat=1195,1315, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 84 ILE HA 84 ILE HG12 4.23 (#peak 1500)
&rst
ixpk= 1500, nxpk= 0, iat=1197,1205, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 84 ILE HA 84 ILE HG13 3.97 (#peak 1505)
&rst
ixpk= 1505, nxpk= 0, iat=1197,1206, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 ILE HA 84 ILE QD1 5.05 (#peak 5191)
&rst
ixpk= 5191, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1208,1209,1210,
&end
#
# 84 ILE HA 84 ILE QG2 3.32 (#peak 4729)
&rst
ixpk= 4729, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1201,1202,1203,
&end
#
# 84 ILE HA 85 ASP HN 3.24 (#peak 5188)
&rst
ixpk= 5188, nxpk= 0, iat=1197,1214, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 84 ILE HA 91 LEU HN 5.20 (#peak 5187)
&rst
ixpk= 5187, nxpk= 0, iat=1197,1313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 84 ILE HA 91 LEU HA 3.44 (#peak 629)
&rst
ixpk= 629, nxpk= 0, iat=1197,1315, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 84 ILE HB 124 TYR HB3 4.63 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat=1199,1812, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 84 ILE HB 124 TYR QE 4.42 (#peak 4358)
&rst
ixpk= 4358, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1817,1822,
&end
#
# 84 ILE HB 84 ILE QD1 4.10 (#peak 4258)
&rst
ixpk= 4258, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1208,1209,1210,
&end
#
# 84 ILE HB 85 ASP HN 5.34 (#peak 4363)
&rst
ixpk= 4363, nxpk= 0, iat=1199,1214, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 84 ILE HG12 85 ASP HN 5.39 (#peak 38)
&rst
ixpk= 38, nxpk= 0, iat=1205,1214, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 84 ILE HG12 91 LEU HA 4.98 (#peak 1546)
&rst
ixpk= 1546, nxpk= 0, iat=1205,1315, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 84 ILE HG13 85 ASP HN 5.16 (#peak 48)
&rst
ixpk= 48, nxpk= 0, iat=1206,1214, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 84 ILE HG13 91 LEU HA 4.89 (#peak 1468)
&rst
ixpk= 1468, nxpk= 0, iat=1206,1315, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 84 ILE HG13 91 LEU HG 4.80 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat=1206,1320, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 84 ILE HG13 91 LEU QD2 3.50 (#peak 4523)
&rst
ixpk= 4523, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1326,1327,1328,
&end
#
# 84 ILE HG13 92 SER HN 5.69 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat=1206,1332, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 84 ILE QD1 124 TYR HN 5.23 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1208,1209,1210,
&end
#
# 84 ILE QD1 124 TYR HB2 4.27 (#peak 3198)
&rst
ixpk= 3198, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1208,1209,1210,
&end
#
# 84 ILE QD1 124 TYR HB3 4.29 (#peak 3256)
&rst
ixpk= 3256, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1208,1209,1210,
&end
#
# 84 ILE QD1 124 TYR QD 3.58 (#peak 4662)
&rst
ixpk= 4662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1208,1209,1210,
igr2=1815,1824,
&end
#
# 84 ILE QD1 124 TYR QE 4.71 (#peak 1373)
&rst
ixpk= 1373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1208,1209,1210,
igr2=1817,1822,
&end
#
# 84 ILE QD1 126 ILE QD1 3.35 (#peak 122)
&rst
ixpk= 122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1208,1209,1210,
igr2=1856,1857,1858,
&end
#
# 84 ILE QD1 126 ILE QG2 4.85 (#peak 3957)
&rst
ixpk= 3957, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1208,1209,1210,
igr2=1849,1850,1851,
&end
#
# 84 ILE QD1 85 ASP HN 5.54 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1208,1209,1210,
&end
#
# 84 ILE QD1 91 LEU HG 5.28 (#peak 842)
&rst
ixpk= 842, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1208,1209,1210,
&end
#
# 84 ILE QD1 91 LEU QD1 4.17 (#peak 4675)
&rst
ixpk= 4675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1208,1209,1210,
igr2=1322,1323,1324,
&end
#
# 84 ILE QG2 124 TYR HA 5.00 (#peak 38)
&rst
ixpk= 38, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 124 TYR HB2 4.08 (#peak 4412)
&rst
ixpk= 4412, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 124 TYR HB3 4.97 (#peak 3257)
&rst
ixpk= 3257, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 124 TYR QD 3.71 (#peak 4727)
&rst
ixpk= 4727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1201,1202,1203,
igr2=1815,1824,
&end
#
# 84 ILE QG2 124 TYR QE 3.81 (#peak 4726)
&rst
ixpk= 4726, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1201,1202,1203,
igr2=1817,1822,
&end
#
# 84 ILE QG2 126 ILE QD1 3.48 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1201,1202,1203,
igr2=1856,1857,1858,
&end
#
# 84 ILE QG2 84 ILE HG12 4.04 (#peak 4063)
&rst
ixpk= 4063, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 84 ILE HG13 3.83 (#peak 4538)
&rst
ixpk= 4538, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 84 ILE QD1 2.79 (#peak 4415)
&rst
ixpk= 4415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1201,1202,1203,
igr2=1208,1209,1210,
&end
#
# 84 ILE QG2 85 ASP HN 3.83 (#peak 700)
&rst
ixpk= 700, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 85 ASP HA 5.09 (#peak 2014)
&rst
ixpk= 2014, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 85 ASP HB2 4.82 (#peak 2941)
&rst
ixpk= 2941, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 85 ASP HB3 4.86 (#peak 3184)
&rst
ixpk= 3184, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 86 PRO HA 4.65 (#peak 2089)
&rst
ixpk= 2089, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 86 PRO QD 5.43 (#peak 2585)
&rst
ixpk= 2585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1201,1202,1203,
igr2=1227,1228,
&end
#
# 84 ILE QG2 89 PHE HN 4.11 (#peak 990)
&rst
ixpk= 990, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 89 PHE HA 2.84 (#peak 4410)
&rst
ixpk= 4410, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 89 PHE HB2 4.74 (#peak 2770)
&rst
ixpk= 2770, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 89 PHE HB3 4.28 (#peak 4732)
&rst
ixpk= 4732, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 89 PHE QD 3.54 (#peak 4725)
&rst
ixpk= 4725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1201,1202,1203,
igr2=1279,1287,
&end
#
# 84 ILE QG2 89 PHE QE 4.44 (#peak 4724)
&rst
ixpk= 4724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1201,1202,1203,
igr2=1281,1285,
&end
#
# 84 ILE QG2 90 LYS HN 4.42 (#peak 1028)
&rst
ixpk= 1028, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 90 LYS QE 5.90 (#peak 1749)
&rst
ixpk= 1749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1201,1202,1203,
igr2=1304,1305,
&end
#
# 84 ILE QG2 91 LEU HN 5.70 (#peak 4717)
&rst
ixpk= 4717, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 91 LEU HA 4.31 (#peak 1855)
&rst
ixpk= 1855, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 91 LEU HG 4.01 (#peak 4432)
&rst
ixpk= 4432, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1201,1202,1203,
&end
#
# 84 ILE QG2 91 LEU QD1 5.08 (#peak 4738)
&rst
ixpk= 4738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1201,1202,1203,
igr2=1322,1323,1324,
&end
#
# 84 ILE QG2 91 LEU QD2 3.77 (#peak 2295)
&rst
ixpk= 2295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1201,1202,1203,
igr2=1326,1327,1328,
&end
#
# 84 ILE QG2 92 SER HN 5.56 (#peak 1134)
&rst
ixpk= 1134, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1201,1202,1203,
&end
#
# 85 ASP HN 85 ASP HB2 3.79 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat=1214,1218, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 85 ASP HN 85 ASP HB3 3.58 (#peak 3620)
&rst
ixpk= 3620, nxpk= 0, iat=1214,1219, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 85 ASP HN 86 PRO HD2 5.30 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat=1214,1227, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 85 ASP HN 88 THR QG2 4.85 (#peak 4090)
&rst
ixpk= 4090, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1263,1264,1265,
&end
#
# 85 ASP HN 89 PHE HA 4.27 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat=1214,1273, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 ASP HN 89 PHE QD 5.39 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1279,1287,
&end
#
# 85 ASP HN 90 LYS HN 4.02 (#peak 1020)
&rst
ixpk= 1020, nxpk= 0, iat=1214,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 85 ASP HN 90 LYS HG2 5.39 (#peak 2094)
&rst
ixpk= 2094, nxpk= 0, iat=1214,1298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 85 ASP HN 90 LYS HG3 5.01 (#peak 2127)
&rst
ixpk= 2127, nxpk= 0, iat=1214,1299, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 85 ASP HN 90 LYS QB 5.22 (#peak 93)
&rst
ixpk= 93, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1295,1296,
&end
#
# 85 ASP HN 91 LEU HA 4.62 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat=1214,1315, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 85 ASP HN 92 SER HN 5.64 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat=1214,1332, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 85 ASP HA 86 PRO HD2 3.48 (#peak 1748)
&rst
ixpk= 1748, nxpk= 0, iat=1216,1227, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 85 ASP HA 86 PRO HD3 3.07 (#peak 1436)
&rst
ixpk= 1436, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 85 ASP HA 86 PRO QD 3.95 (#peak 2010)
&rst
ixpk= 2010, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1227,1228,
&end
#
# 85 ASP HA 86 PRO QG 4.69 (#peak 2013)
&rst
ixpk= 2013, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1230,1231,
&end
#
# 85 ASP HA 90 LYS HN 5.41 (#peak 2016)
&rst
ixpk= 2016, nxpk= 0, iat=1216,1291, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 85 ASP HB2 87 GLN HN 4.65 (#peak 1148)
&rst
ixpk= 1148, nxpk= 0, iat=1218,1240, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 85 ASP HB2 87 GLN HB2 5.45 (#peak 3408)
&rst
ixpk= 3408, nxpk= 0, iat=1218,1244, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 85 ASP HB2 88 THR HN 3.78 (#peak 3557)
&rst
ixpk= 3557, nxpk= 0, iat=1218,1257, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 85 ASP HB2 88 THR HB 4.48 (#peak 2524)
&rst
ixpk= 2524, nxpk= 0, iat=1218,1261, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 85 ASP HB2 89 PHE HN 4.36 (#peak 987)
&rst
ixpk= 987, nxpk= 0, iat=1218,1271, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 85 ASP HB2 90 LYS HN 3.84 (#peak 3612)
&rst
ixpk= 3612, nxpk= 0, iat=1218,1291, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 85 ASP HB3 86 PRO HD2 4.72 (#peak 3571)
&rst
ixpk= 3571, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 85 ASP HB3 87 GLN HN 4.82 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat=1219,1240, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 85 ASP HB3 88 THR HN 4.61 (#peak 1521)
&rst
ixpk= 1521, nxpk= 0, iat=1219,1257, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 85 ASP HB3 88 THR HA 5.81 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat=1219,1259, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 85 ASP HB3 89 PHE HN 4.22 (#peak 3619)
&rst
ixpk= 3619, nxpk= 0, iat=1219,1271, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 85 ASP HB3 89 PHE HA 4.93 (#peak 3570)
&rst
ixpk= 3570, nxpk= 0, iat=1219,1273, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 85 ASP HB3 90 LYS HN 4.11 (#peak 3621)
&rst
ixpk= 3621, nxpk= 0, iat=1219,1291, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 85 ASP HB3 90 LYS HG2 5.22 (#peak 2113)
&rst
ixpk= 2113, nxpk= 0, iat=1219,1298, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 85 ASP HB3 90 LYS QB 5.90 (#peak 1279)
&rst
ixpk= 1279, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1295,1296,
&end
#
# 86 PRO HA 124 TYR QD 4.44 (#peak 2083)
&rst
ixpk= 2083, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1815,1824,
&end
#
# 86 PRO HA 124 TYR QE 3.38 (#peak 2082)
&rst
ixpk= 2082, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1817,1822,
&end
#
# 86 PRO HA 147 PRO HB2 4.79 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat=1236,2142, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 86 PRO HA 147 PRO HG2 5.11 (#peak 1356)
&rst
ixpk= 1356, nxpk= 0, iat=1236,2139, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 86 PRO HA 147 PRO HG3 4.62 (#peak 1339)
&rst
ixpk= 1339, nxpk= 0, iat=1236,2140, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 86 PRO HA 89 PHE HA 5.15 (#peak 4264)
&rst
ixpk= 4264, nxpk= 0, iat=1236,1273, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 86 PRO HA 89 PHE QD 3.57 (#peak 2091)
&rst
ixpk= 2091, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1279,1287,
&end
#
# 86 PRO HA 89 PHE QE 3.94 (#peak 2081)
&rst
ixpk= 2081, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1281,1285,
&end
#
# 86 PRO HB2 124 TYR QE 4.54 (#peak 3332)
&rst
ixpk= 3332, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1817,1822,
&end
#
# 86 PRO HB2 89 PHE QD 5.70 (#peak 3331)
&rst
ixpk= 3331, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1279,1287,
&end
#
# 86 PRO HB2 89 PHE QE 5.90 (#peak 3330)
&rst
ixpk= 3330, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1281,1285,
&end
#
# 86 PRO HB3 124 TYR QE 4.59 (#peak 3416)
&rst
ixpk= 3416, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1817,1822,
&end
#
# 86 PRO HB3 89 PHE QD 5.05 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1279,1287,
&end
#
# 86 PRO HB3 89 PHE QE 5.18 (#peak 3422)
&rst
ixpk= 3422, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1281,1285,
&end
#
# 86 PRO HD2 87 GLN HN 4.42 (#peak 1747)
&rst
ixpk= 1747, nxpk= 0, iat=1227,1240, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 86 PRO HD2 87 GLN HG3 4.39 (#peak 1751)
&rst
ixpk= 1751, nxpk= 0, iat=1227,1248, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 86 PRO HD2 88 THR HN 5.12 (#peak 1750)
&rst
ixpk= 1750, nxpk= 0, iat=1227,1257, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 86 PRO HD3 87 GLN HN 4.73 (#peak 1761)
&rst
ixpk= 1761, nxpk= 0, iat=1228,1240, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 86 PRO QD 124 TYR QE 4.61 (#peak 2612)
&rst
ixpk= 2612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1227,1228,
igr2=1817,1822,
&end
#
# 86 PRO QD 147 PRO HG3 5.90 (#peak 743)
&rst
ixpk= 743, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1227,1228,
&end
#
# 86 PRO QG 87 GLN HN 4.17 (#peak 1570)
&rst
ixpk= 1570, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1230,1231,
&end
#
# 87 GLN HN 124 TYR QE 5.90 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1817,1822,
&end
#
# 87 GLN HN 87 GLN HB2 3.15 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat=1240,1244, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 87 GLN HN 87 GLN HB3 3.70 (#peak 962)
&rst
ixpk= 962, nxpk= 0, iat=1240,1245, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 87 GLN HN 87 GLN HE21 4.61 (#peak 413)
&rst
ixpk= 413, nxpk= 0, iat=1240,1252, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 87 GLN HN 87 GLN HG2 3.64 (#peak 17)
&rst
ixpk= 17, nxpk= 0, iat=1240,1247, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 87 GLN HN 87 GLN HG3 3.63 (#peak 21)
&rst
ixpk= 21, nxpk= 0, iat=1240,1248, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 87 GLN HN 88 THR HN 3.40 (#peak 1142)
&rst
ixpk= 1142, nxpk= 0, iat=1240,1257, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 87 GLN HN 88 THR HA 5.18 (#peak 1146)
&rst
ixpk= 1146, nxpk= 0, iat=1240,1259, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 87 GLN HN 88 THR QG2 3.94 (#peak 1152)
&rst
ixpk= 1152, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1263,1264,1265,
&end
#
# 87 GLN HN 89 PHE QD 5.38 (#peak 1056)
&rst
ixpk= 1056, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1279,1287,
&end
#
# 87 GLN HN 89 PHE QE 5.59 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1281,1285,
&end
#
# 87 GLN HA 87 GLN HB3 2.97 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat=1242,1245, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 87 GLN HA 87 GLN HE21 4.12 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat=1242,1252, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 87 GLN HA 87 GLN HE22 5.04 (#peak 2205)
&rst
ixpk= 2205, nxpk= 0, iat=1242,1253, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 87 GLN HA 87 GLN HG2 3.38 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat=1242,1247, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 87 GLN HA 87 GLN HG3 3.76 (#peak 23)
&rst
ixpk= 23, nxpk= 0, iat=1242,1248, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 87 GLN HA 88 THR QG2 4.77 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1263,1264,1265,
&end
#
# 87 GLN HA 89 PHE QD 4.83 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1279,1287,
&end
#
# 87 GLN HA 89 PHE QE 5.52 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1281,1285,
&end
#
# 87 GLN HB2 88 THR HN 3.63 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat=1244,1257, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 87 GLN HB2 88 THR QG2 3.79 (#peak 3406)
&rst
ixpk= 3406, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1263,1264,1265,
&end
#
# 87 GLN HB2 89 PHE HN 4.85 (#peak 971)
&rst
ixpk= 971, nxpk= 0, iat=1244,1271, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 87 GLN HB3 87 GLN HE22 4.53 (#peak 3433)
&rst
ixpk= 3433, nxpk= 0, iat=1245,1253, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 87 GLN HB3 87 GLN HG2 2.91 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat=1245,1247, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 87 GLN HB3 87 GLN HG3 3.00 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat=1245,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLN HB3 88 THR HN 3.80 (#peak 963)
&rst
ixpk= 963, nxpk= 0, iat=1245,1257, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 87 GLN HB3 88 THR HA 4.87 (#peak 4810)
&rst
ixpk= 4810, nxpk= 0, iat=1245,1259, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 87 GLN HB3 88 THR QG2 3.72 (#peak 965)
&rst
ixpk= 965, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1263,1264,1265,
&end
#
# 87 GLN HE21 146 VAL QG1 4.20 (#peak 4198)
&rst
ixpk= 4198, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2125,2126,2127,
&end
#
# 87 GLN HG2 88 THR HN 4.33 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat=1247,1257, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 87 GLN HG2 88 THR QG2 5.08 (#peak 4100)
&rst
ixpk= 4100, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1263,1264,1265,
&end
#
# 87 GLN HG3 88 THR HN 4.73 (#peak 22)
&rst
ixpk= 22, nxpk= 0, iat=1248,1257, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 88 THR HN 88 THR HB 3.96 (#peak 1518)
&rst
ixpk= 1518, nxpk= 0, iat=1257,1261, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 88 THR HN 88 THR QG2 3.07 (#peak 3060)
&rst
ixpk= 3060, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1263,1264,1265,
&end
#
# 88 THR HN 89 PHE HN 3.71 (#peak 968)
&rst
ixpk= 968, nxpk= 0, iat=1257,1271, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 88 THR HN 89 PHE QD 4.91 (#peak 1515)
&rst
ixpk= 1515, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1279,1287,
&end
#
# 88 THR HN 90 LYS HN 4.63 (#peak 1514)
&rst
ixpk= 1514, nxpk= 0, iat=1257,1291, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 88 THR HA 88 THR QG2 2.81 (#peak 2469)
&rst
ixpk= 2469, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1263,1264,1265,
&end
#
# 88 THR HA 89 PHE QD 5.53 (#peak 1065)
&rst
ixpk= 1065, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1279,1287,
&end
#
# 88 THR HA 90 LYS HN 4.94 (#peak 1023)
&rst
ixpk= 1023, nxpk= 0, iat=1259,1291, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 88 THR HA 90 LYS QB 5.60 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1295,1296,
&end
#
# 88 THR HB 89 PHE HN 4.79 (#peak 2521)
&rst
ixpk= 2521, nxpk= 0, iat=1261,1271, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 88 THR HB 90 LYS HN 4.47 (#peak 2567)
&rst
ixpk= 2567, nxpk= 0, iat=1261,1291, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 88 THR HB 90 LYS HG2 3.76 (#peak 2526)
&rst
ixpk= 2526, nxpk= 0, iat=1261,1298, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 88 THR HB 90 LYS QB 3.96 (#peak 2525)
&rst
ixpk= 2525, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1295,1296,
&end
#
# 88 THR QG2 89 PHE HN 3.72 (#peak 4095)
&rst
ixpk= 4095, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1263,1264,1265,
&end
#
# 88 THR QG2 90 LYS HN 4.43 (#peak 1009)
&rst
ixpk= 1009, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1263,1264,1265,
&end
#
# 88 THR QG2 90 LYS HG2 3.97 (#peak 3062)
&rst
ixpk= 3062, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1263,1264,1265,
&end
#
# 88 THR QG2 90 LYS QB 5.05 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1263,1264,1265,
igr2=1295,1296,
&end
#
# 89 PHE HN 124 TYR QE 5.90 (#peak 972)
&rst
ixpk= 972, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1817,1822,
&end
#
# 89 PHE HN 89 PHE QD 3.57 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1279,1287,
&end
#
# 89 PHE HN 90 LYS HN 3.80 (#peak 1019)
&rst
ixpk= 1019, nxpk= 0, iat=1271,1291, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 89 PHE HN 90 LYS QB 5.06 (#peak 989)
&rst
ixpk= 989, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1295,1296,
&end
#
# 89 PHE HA 124 TYR QD 4.47 (#peak 1432)
&rst
ixpk= 1432, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1815,1824,
&end
#
# 89 PHE HA 124 TYR QE 5.13 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1817,1822,
&end
#
# 89 PHE HA 126 ILE QD1 4.12 (#peak 5473)
&rst
ixpk= 5473, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1856,1857,1858,
&end
#
# 89 PHE HA 89 PHE QD 3.28 (#peak 2316)
&rst
ixpk= 2316, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1279,1287,
&end
#
# 89 PHE HA 89 PHE QE 4.53 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1281,1285,
&end
#
# 89 PHE HB2 124 TYR QD 5.01 (#peak 2781)
&rst
ixpk= 2781, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1815,1824,
&end
#
# 89 PHE HB2 126 ILE QD1 4.95 (#peak 5472)
&rst
ixpk= 5472, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1856,1857,1858,
&end
#
# 89 PHE HB3 124 TYR QD 5.02 (#peak 2824)
&rst
ixpk= 2824, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1815,1824,
&end
#
# 89 PHE HB3 124 TYR QE 5.70 (#peak 2817)
&rst
ixpk= 2817, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1817,1822,
&end
#
# 89 PHE HB3 126 ILE QD1 3.72 (#peak 119)
&rst
ixpk= 119, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1856,1857,1858,
&end
#
# 89 PHE QD 124 TYR HA 5.90 (#peak 2240)
&rst
ixpk= 2240, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1279,1287,
&end
#
# 89 PHE QD 124 TYR HB3 5.90 (#peak 3248)
&rst
ixpk= 3248, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1279,1287,
&end
#
# 89 PHE QD 124 TYR QD 3.52 (#peak 1428)
&rst
ixpk= 1428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1279,1287,
igr2=1815,1824,
&end
#
# 89 PHE QD 124 TYR QE 3.40 (#peak 1359)
&rst
ixpk= 1359, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1279,1287,
igr2=1817,1822,
&end
#
# 89 PHE QD 125 GLU HB2 5.61 (#peak 3639)
&rst
ixpk= 3639, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1279,1287,
&end
#
# 89 PHE QD 125 GLU HB3 4.39 (#peak 3746)
&rst
ixpk= 3746, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1279,1287,
&end
#
# 89 PHE QD 126 ILE QD1 4.07 (#peak 4406)
&rst
ixpk= 4406, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1279,1287,
igr2=1856,1857,1858,
&end
#
# 89 PHE QD 145 ALA QB 4.64 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1279,1287,
igr2=2113,2114,2115,
&end
#
# 89 PHE QD 147 PRO HB2 5.72 (#peak 99)
&rst
ixpk= 99, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1279,1287,
&end
#
# 89 PHE QD 147 PRO HD2 5.43 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1279,1287,
&end
#
# 89 PHE QD 147 PRO HD3 4.15 (#peak 2650)
&rst
ixpk= 2650, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1279,1287,
&end
#
# 89 PHE QD 147 PRO HG2 5.70 (#peak 3508)
&rst
ixpk= 3508, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1279,1287,
&end
#
# 89 PHE QD 147 PRO HG3 4.22 (#peak 3699)
&rst
ixpk= 3699, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1279,1287,
&end
#
# 89 PHE QD 90 LYS HN 5.05 (#peak 1021)
&rst
ixpk= 1021, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1279,1287,
&end
#
# 89 PHE QE 124 TYR QD 3.82 (#peak 1427)
&rst
ixpk= 1427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1281,1285,
igr2=1815,1824,
&end
#
# 89 PHE QE 124 TYR QE 3.47 (#peak 1358)
&rst
ixpk= 1358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1281,1285,
igr2=1817,1822,
&end
#
# 89 PHE QE 125 GLU HB2 5.28 (#peak 3638)
&rst
ixpk= 3638, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1281,1285,
&end
#
# 89 PHE QE 125 GLU HB3 5.90 (#peak 1283)
&rst
ixpk= 1283, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1281,1285,
&end
#
# 89 PHE QE 126 ILE QD1 4.87 (#peak 4399)
&rst
ixpk= 4399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1281,1285,
igr2=1856,1857,1858,
&end
#
# 89 PHE QE 145 ALA QB 4.35 (#peak 4058)
&rst
ixpk= 4058, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1281,1285,
igr2=2113,2114,2115,
&end
#
# 89 PHE QE 146 VAL QG1 4.92 (#peak 4180)
&rst
ixpk= 4180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1281,1285,
igr2=2125,2126,2127,
&end
#
# 89 PHE QE 147 PRO HB2 4.78 (#peak 995)
&rst
ixpk= 995, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1281,1285,
&end
#
# 89 PHE QE 147 PRO HB3 4.37 (#peak 4262)
&rst
ixpk= 4262, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1281,1285,
&end
#
# 89 PHE QE 147 PRO HD2 4.39 (#peak 2592)
&rst
ixpk= 2592, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1281,1285,
&end
#
# 89 PHE QE 147 PRO HD3 4.52 (#peak 2649)
&rst
ixpk= 2649, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1281,1285,
&end
#
# 89 PHE QE 147 PRO HG2 4.31 (#peak 3507)
&rst
ixpk= 3507, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1281,1285,
&end
#
# 89 PHE QE 147 PRO HG3 4.13 (#peak 3698)
&rst
ixpk= 3698, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1281,1285,
&end
#
# 90 LYS HN 90 LYS HG2 3.65 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 90 LYS HN 90 LYS QB 3.08 (#peak 1026)
&rst
ixpk= 1026, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1295,1296,
&end
#
# 90 LYS HN 91 LEU HN 4.60 (#peak 1018)
&rst
ixpk= 1018, nxpk= 0, iat=1291,1313, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 90 LYS HA 90 LYS QE 5.34 (#peak 361)
&rst
ixpk= 361, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1304,1305,
&end
#
# 90 LYS HA 91 LEU HN 2.93 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat=1293,1313, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 90 LYS HA 91 LEU HG 5.52 (#peak 838)
&rst
ixpk= 838, nxpk= 0, iat=1293,1320, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 90 LYS HA 91 LEU QD1 5.64 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1322,1323,1324,
&end
#
# 90 LYS HG2 90 LYS QE 3.40 (#peak 2123)
&rst
ixpk= 2123, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1304,1305,
&end
#
# 90 LYS HG2 91 LEU HN 5.13 (#peak 2137)
&rst
ixpk= 2137, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 90 LYS QB 90 LYS QE 3.86 (#peak 114)
&rst
ixpk= 114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1295,1296,
igr2=1304,1305,
&end
#
# 90 LYS QB 91 LEU HN 3.84 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1295,1296,
&end
#
# 90 LYS QD 91 LEU HN 4.06 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1301,1302,
&end
#
# 90 LYS QE 91 LEU HN 5.28 (#peak 78)
&rst
ixpk= 78, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1304,1305,
&end
#
# 90 LYS QE 92 SER HA 4.47 (#peak 5196)
&rst
ixpk= 5196, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1304,1305,
&end
#
# 90 LYS QE 93 GLY HN 5.28 (#peak 1126)
&rst
ixpk= 1126, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1304,1305,
&end
#
# 91 LEU HN 91 LEU HB2 3.91 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 91 LEU HN 91 LEU HB3 3.75 (#peak 3695)
&rst
ixpk= 3695, nxpk= 0, iat=1313,1318, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 91 LEU HN 91 LEU HG 4.12 (#peak 835)
&rst
ixpk= 835, nxpk= 0, iat=1313,1320, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 91 LEU HN 91 LEU QD1 4.09 (#peak 308)
&rst
ixpk= 308, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1322,1323,1324,
&end
#
# 91 LEU HN 91 LEU QD2 4.28 (#peak 82)
&rst
ixpk= 82, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1326,1327,1328,
&end
#
# 91 LEU HN 92 SER HN 4.78 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat=1313,1332, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 91 LEU HN 93 GLY HN 4.86 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat=1313,1343, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 91 LEU HA 91 LEU HG 3.28 (#peak 649)
&rst
ixpk= 649, nxpk= 0, iat=1315,1320, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 91 LEU HA 91 LEU QD1 3.90 (#peak 650)
&rst
ixpk= 650, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1322,1323,1324,
&end
#
# 91 LEU HA 92 SER HN 3.17 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat=1315,1332, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 91 LEU HA 92 SER HA 4.55 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat=1315,1334, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 91 LEU HA 93 GLY HN 3.97 (#peak 1478)
&rst
ixpk= 1478, nxpk= 0, iat=1315,1343, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 91 LEU HB2 91 LEU QD1 3.24 (#peak 3410)
&rst
ixpk= 3410, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1322,1323,1324,
&end
#
# 91 LEU HB2 92 SER HN 4.13 (#peak 1130)
&rst
ixpk= 1130, nxpk= 0, iat=1317,1332, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 91 LEU HB2 93 GLY HN 3.45 (#peak 1481)
&rst
ixpk= 1481, nxpk= 0, iat=1317,1343, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 91 LEU HB2 93 GLY HA2 5.30 (#peak 3405)
&rst
ixpk= 3405, nxpk= 0, iat=1317,1345, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 91 LEU HB3 91 LEU QD1 3.49 (#peak 3437)
&rst
ixpk= 3437, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1322,1323,1324,
&end
#
# 91 LEU HB3 92 SER HN 3.83 (#peak 1131)
&rst
ixpk= 1131, nxpk= 0, iat=1318,1332, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 91 LEU HB3 93 GLY HN 3.43 (#peak 1482)
&rst
ixpk= 1482, nxpk= 0, iat=1318,1343, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 91 LEU HG 92 SER HN 4.98 (#peak 834)
&rst
ixpk= 834, nxpk= 0, iat=1320,1332, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 91 LEU HG 93 GLY HN 5.24 (#peak 815)
&rst
ixpk= 815, nxpk= 0, iat=1320,1343, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 91 LEU QD1 93 GLY HN 4.59 (#peak 4316)
&rst
ixpk= 4316, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1322,1323,1324,
&end
#
# 91 LEU QD1 94 ALA HA 4.11 (#peak 1397)
&rst
ixpk= 1397, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1322,1323,1324,
&end
#
# 91 LEU QD1 95 MET HN 4.13 (#peak 626)
&rst
ixpk= 626, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1322,1323,1324,
&end
#
# 91 LEU QD1 95 MET HA 3.46 (#peak 1267)
&rst
ixpk= 1267, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1322,1323,1324,
&end
#
# 91 LEU QD1 95 MET HB2 4.86 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1322,1323,1324,
&end
#
# 91 LEU QD1 95 MET QE 2.40 (#peak 4097)
&rst
ixpk= 4097, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1322,1323,1324,
igr2=1371,1372,1373,
&end
#
# 91 LEU QD1 95 MET QG 3.97 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1322,1323,1324,
igr2=1367,1368,
&end
#
# 91 LEU QD1 96 PRO HD3 4.03 (#peak 4324)
&rst
ixpk= 4324, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1322,1323,1324,
&end
#
# 91 LEU QD2 92 SER HN 4.71 (#peak 2291)
&rst
ixpk= 2291, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1326,1327,1328,
&end
#
# 91 LEU QD2 95 MET QE 3.49 (#peak 2294)
&rst
ixpk= 2294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1326,1327,1328,
igr2=1371,1372,1373,
&end
#
# 91 LEU QD2 96 PRO HD3 4.07 (#peak 2231)
&rst
ixpk= 2231, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1326,1327,1328,
&end
#
# 92 SER HN 92 SER HB2 4.12 (#peak 4437)
&rst
ixpk= 4437, nxpk= 0, iat=1332,1336, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 92 SER HN 92 SER HB3 3.72 (#peak 1127)
&rst
ixpk= 1127, nxpk= 0, iat=1332,1337, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 92 SER HN 93 GLY HN 3.79 (#peak 1475)
&rst
ixpk= 1475, nxpk= 0, iat=1332,1343, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 GLY HN 94 ALA HN 4.56 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat=1343,1350, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 93 GLY HA2 94 ALA QB 4.84 (#peak 3404)
&rst
ixpk= 3404, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1354,1355,1356,
&end
#
# 93 GLY HA3 94 ALA HN 3.44 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat=1346,1350, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 93 GLY HA3 94 ALA QB 4.90 (#peak 2607)
&rst
ixpk= 2607, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1354,1355,1356,
&end
#
# 94 ALA HN 94 ALA QB 3.01 (#peak 579)
&rst
ixpk= 579, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1354,1355,1356,
&end
#
# 94 ALA HN 95 MET HN 5.07 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 94 ALA HA 95 MET HN 3.04 (#peak 1391)
&rst
ixpk= 1391, nxpk= 0, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 94 ALA HA 95 MET HB2 4.60 (#peak 1395)
&rst
ixpk= 1395, nxpk= 0, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 94 ALA QB 95 MET HN 3.12 (#peak 3715)
&rst
ixpk= 3715, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1354,1355,1356,
&end
#
# 94 ALA QB 95 MET HA 4.62 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1354,1355,1356,
&end
#
# 94 ALA QB 95 MET HB3 5.08 (#peak 3479)
&rst
ixpk= 3479, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1354,1355,1356,
&end
#
# 95 MET HN 95 MET HB2 3.51 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 95 MET HN 95 MET HB3 3.54 (#peak 619)
&rst
ixpk= 619, nxpk= 0, iat=1360,1365, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 95 MET HN 95 MET QE 4.88 (#peak 4121)
&rst
ixpk= 4121, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1371,1372,1373,
&end
#
# 95 MET HN 95 MET QG 4.16 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1367,1368,
&end
#
# 95 MET HN 96 PRO HD3 5.04 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat=1360,1379, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 95 MET HA 95 MET QE 3.68 (#peak 4092)
&rst
ixpk= 4092, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1371,1372,1373,
&end
#
# 95 MET HA 95 MET QG 3.67 (#peak 3254)
&rst
ixpk= 3254, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1367,1368,
&end
#
# 95 MET HA 96 PRO HD2 3.46 (#peak 1621)
&rst
ixpk= 1621, nxpk= 0, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 95 MET HA 96 PRO HD3 3.18 (#peak 2275)
&rst
ixpk= 2275, nxpk= 0, iat=1362,1379, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 95 MET HB3 96 PRO HD3 5.01 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat=1365,1379, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 95 MET QE 96 PRO HD2 4.70 (#peak 1206)
&rst
ixpk= 1206, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1371,1372,1373,
&end
#
# 95 MET QG 95 MET QE 2.65 (#peak 4093)
&rst
ixpk= 4093, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1367,1368,
igr2=1371,1372,1373,
&end
#
# 95 MET QG 96 PRO HD2 4.95 (#peak 1624)
&rst
ixpk= 1624, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1367,1368,
&end
#
# 95 MET QG 96 PRO HD3 4.38 (#peak 1633)
&rst
ixpk= 1633, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1367,1368,
&end
#
# 96 PRO HA 99 ALA HN 5.22 (#peak 2185)
&rst
ixpk= 2185, nxpk= 0, iat=1387,1415, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 96 PRO HD3 99 ALA QB 4.06 (#peak 1636)
&rst
ixpk= 1636, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1419,1420,1421,
&end
#
# 96 PRO HG2 99 ALA HN 4.88 (#peak 730)
&rst
ixpk= 730, nxpk= 0, iat=1381,1415, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 96 PRO HG3 99 ALA HN 4.35 (#peak 3670)
&rst
ixpk= 3670, nxpk= 0, iat=1382,1415, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 96 PRO HG3 99 ALA QB 4.36 (#peak 1427)
&rst
ixpk= 1427, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1419,1420,1421,
&end
#
# 96 PRO QB 101 LYS HD3 5.00 (#peak 1187)
&rst
ixpk= 1187, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1384,1385,
&end
#
# 96 PRO QB 99 ALA HN 4.28 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1384,1385,
&end
#
# 96 PRO QB 99 ALA HA 5.90 (#peak 1042)
&rst
ixpk= 1042, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1384,1385,
&end
#
# 96 PRO QB 99 ALA QB 3.99 (#peak 252)
&rst
ixpk= 252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1384,1385,
igr2=1419,1420,1421,
&end
#
# 97 ALA HN 98 THR QG2 4.64 (#peak 2722)
&rst
ixpk= 2722, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1407,1408,1409,
&end
#
# 97 ALA HA 98 THR QG2 4.52 (#peak 2799)
&rst
ixpk= 2799, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1407,1408,1409,
&end
#
# 97 ALA HA 99 ALA HN 4.69 (#peak 1240)
&rst
ixpk= 1240, nxpk= 0, iat=1393,1415, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 97 ALA QB 98 THR HN 4.45 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1395,1396,1397,
&end
#
# 97 ALA QB 98 THR HA 4.50 (#peak 5066)
&rst
ixpk= 5066, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1395,1396,1397,
&end
#
# 97 ALA QB 98 THR QG2 3.10 (#peak 3653)
&rst
ixpk= 3653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1395,1396,1397,
igr2=1407,1408,1409,
&end
#
# 97 ALA QB 99 ALA HN 4.23 (#peak 732)
&rst
ixpk= 732, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1395,1396,1397,
&end
#
# 98 THR HN 98 THR QG2 3.86 (#peak 2724)
&rst
ixpk= 2724, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1407,1408,1409,
&end
#
# 98 THR HN 99 ALA HN 4.56 (#peak 722)
&rst
ixpk= 722, nxpk= 0, iat=1401,1415, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 98 THR HA 98 THR QG2 2.75 (#peak 2112)
&rst
ixpk= 2112, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1407,1408,1409,
&end
#
# 98 THR HB 99 ALA HN 5.32 (#peak 1997)
&rst
ixpk= 1997, nxpk= 0, iat=1405,1415, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 98 THR QG2 99 ALA HN 4.35 (#peak 2798)
&rst
ixpk= 2798, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1407,1408,1409,
&end
#
# 99 ALA HN 101 LYS QE 4.32 (#peak 2878)
&rst
ixpk= 2878, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1455,1456,
&end
#
# 99 ALA HN 99 ALA QB 2.82 (#peak 2789)
&rst
ixpk= 2789, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1419,1420,1421,
&end
#
# 99 ALA HA 100 MET HN 3.20 (#peak 1302)
&rst
ixpk= 1302, nxpk= 0, iat=1417,1425, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 99 ALA HA 101 LYS HN 5.79 (#peak 358)
&rst
ixpk= 358, nxpk= 0, iat=1417,1442, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 99 ALA HA 101 LYS QE 5.74 (#peak 2634)
&rst
ixpk= 2634, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1455,1456,
&end
#
# 99 ALA QB 100 MET HN 3.27 (#peak 2754)
&rst
ixpk= 2754, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1419,1420,1421,
&end
#
# 99 ALA QB 101 LYS QE 3.86 (#peak 2791)
&rst
ixpk= 2791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1419,1420,1421,
igr2=1455,1456,
&end
#
# 100 MET HN 100 MET HB2 4.00 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat=1425,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 MET HN 100 MET HB3 3.89 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 100 MET HN 100 MET HG2 4.70 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 100 MET HN 100 MET HG3 4.53 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 100 MET HN 100 MET QE 5.90 (#peak 5433)
&rst
ixpk= 5433, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1436,1437,1438,
&end
#
# 100 MET HN 101 LYS HN 4.23 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat=1425,1442, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 100 MET HA 100 MET HG2 3.83 (#peak 211)
&rst
ixpk= 211, nxpk= 0, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 100 MET HA 100 MET HG3 3.77 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat=1427,1433, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 100 MET HA 100 MET QE 4.61 (#peak 2078)
&rst
ixpk= 2078, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1436,1437,1438,
&end
#
# 100 MET HA 101 LYS HN 3.07 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 100 MET HA 101 LYS HA 4.89 (#peak 502)
&rst
ixpk= 502, nxpk= 0, iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 100 MET HA 101 LYS HG2 4.77 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat=1427,1449, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 100 MET HA 111 PHE QD 5.04 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1606,1614,
&end
#
# 100 MET HA 111 PHE QE 4.73 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1608,1612,
&end
#
# 100 MET HB2 100 MET QE 4.87 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1436,1437,1438,
&end
#
# 100 MET HB2 101 LYS HN 4.84 (#peak 845)
&rst
ixpk= 845, nxpk= 0, iat=1429,1442, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 100 MET HB2 116 LEU QD2 5.27 (#peak 3466)
&rst
ixpk= 3466, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1683,1684,1685,
&end
#
# 100 MET HB3 100 MET QE 5.90 (#peak 5404)
&rst
ixpk= 5404, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1436,1437,1438,
&end
#
# 100 MET HB3 101 LYS HN 4.84 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat=1430,1442, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 100 MET HG2 101 LYS HN 5.54 (#peak 206)
&rst
ixpk= 206, nxpk= 0, iat=1432,1442, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 100 MET HG2 111 PHE QD 4.02 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1606,1614,
&end
#
# 100 MET HG2 111 PHE QE 4.62 (#peak 36)
&rst
ixpk= 36, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1608,1612,
&end
#
# 100 MET HG3 100 MET QE 3.43 (#peak 230)
&rst
ixpk= 230, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1436,1437,1438,
&end
#
# 100 MET HG3 111 PHE QD 4.44 (#peak 3550)
&rst
ixpk= 3550, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1606,1614,
&end
#
# 100 MET HG3 111 PHE QE 5.79 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1608,1612,
&end
#
# 100 MET HG3 116 LEU QD2 5.90 (#peak 1781)
&rst
ixpk= 1781, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1683,1684,1685,
&end
#
# 100 MET QE 111 PHE HN 4.83 (#peak 117)
&rst
ixpk= 117, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 111 PHE HA 3.00 (#peak 5421)
&rst
ixpk= 5421, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 111 PHE HB2 3.44 (#peak 5418)
&rst
ixpk= 5418, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 111 PHE HB3 3.28 (#peak 3382)
&rst
ixpk= 3382, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 111 PHE QD 3.57 (#peak 1181)
&rst
ixpk= 1181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1436,1437,1438,
igr2=1606,1614,
&end
#
# 100 MET QE 111 PHE QE 4.16 (#peak 4558)
&rst
ixpk= 4558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1436,1437,1438,
igr2=1608,1612,
&end
#
# 100 MET QE 112 ASN HN 4.74 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 112 ASN HB3 4.84 (#peak 3103)
&rst
ixpk= 3103, nxpk= 0, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 113 THR HA 3.78 (#peak 5419)
&rst
ixpk= 5419, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1436,1437,1438,
&end
#
# 100 MET QE 116 LEU QD2 3.52 (#peak 4766)
&rst
ixpk= 4766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1436,1437,1438,
igr2=1683,1684,1685,
&end
#
# 101 LYS HN 101 LYS HD2 5.04 (#peak 1045)
&rst
ixpk= 1045, nxpk= 0, iat=1442,1452, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 101 LYS HN 101 LYS HD3 4.20 (#peak 361)
&rst
ixpk= 361, nxpk= 0, iat=1442,1453, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 101 LYS HN 101 LYS HG2 3.83 (#peak 2400)
&rst
ixpk= 2400, nxpk= 0, iat=1442,1449, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 101 LYS HN 101 LYS HG3 4.07 (#peak 362)
&rst
ixpk= 362, nxpk= 0, iat=1442,1450, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 101 LYS HN 101 LYS QE 4.65 (#peak 3610)
&rst
ixpk= 3610, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1455,1456,
&end
#
# 101 LYS HN 102 LYS HN 5.35 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat=1442,1464, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 101 LYS HN 111 PHE QE 5.20 (#peak 353)
&rst
ixpk= 353, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1608,1612,
&end
#
# 101 LYS HA 102 LYS HN 3.40 (#peak 1190)
&rst
ixpk= 1190, nxpk= 0, iat=1444,1464, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 101 LYS HA 102 LYS HA 5.56 (#peak 1558)
&rst
ixpk= 1558, nxpk= 0, iat=1444,1466, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 101 LYS HA 102 LYS HB2 5.60 (#peak 3988)
&rst
ixpk= 3988, nxpk= 0, iat=1444,1468, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 101 LYS HA 111 PHE QE 4.55 (#peak 1128)
&rst
ixpk= 1128, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1608,1612,
&end
#
# 101 LYS HB2 101 LYS HD2 3.61 (#peak 1114)
&rst
ixpk= 1114, nxpk= 0, iat=1446,1452, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 101 LYS HB2 101 LYS HD3 3.92 (#peak 1051)
&rst
ixpk= 1051, nxpk= 0, iat=1446,1453, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 101 LYS HB2 101 LYS QE 4.55 (#peak 5201)
&rst
ixpk= 5201, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1455,1456,
&end
#
# 101 LYS HB2 102 LYS HN 4.27 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat=1446,1464, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 101 LYS HB3 101 LYS HD3 2.66 (#peak 5208)
&rst
ixpk= 5208, nxpk= 0, iat=1447,1453, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 101 LYS HB3 102 LYS HN 4.52 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat=1447,1464, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 101 LYS HD3 101 LYS QE 2.74 (#peak 3555)
&rst
ixpk= 3555, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2=1455,1456,
&end
#
# 101 LYS HG2 101 LYS QE 3.69 (#peak 2402)
&rst
ixpk= 2402, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1455,1456,
&end
#
# 101 LYS HG2 102 LYS HN 5.24 (#peak 2399)
&rst
ixpk= 2399, nxpk= 0, iat=1449,1464, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 101 LYS HG3 101 LYS QE 3.73 (#peak 2408)
&rst
ixpk= 2408, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1455,1456,
&end
#
# 101 LYS HG3 102 LYS HN 4.77 (#peak 2381)
&rst
ixpk= 2381, nxpk= 0, iat=1450,1464, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 101 LYS HG3 102 LYS HA 5.04 (#peak 2380)
&rst
ixpk= 2380, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 102 LYS HN 102 LYS HB3 4.01 (#peak 4152)
&rst
ixpk= 4152, nxpk= 0, iat=1464,1469, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 102 LYS HN 102 LYS QG 4.80 (#peak 2183)
&rst
ixpk= 2183, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1471,1472,
&end
#
# 102 LYS HN 103 LEU HN 5.00 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat=1464,1486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HN 109 ALA QB 5.18 (#peak 134)
&rst
ixpk= 134, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1570,1571,1572,
&end
#
# 102 LYS HN 63 PHE O 2.4
&rst
ixpk= 134, nxpk= 0, iat=1464, 895, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 102 LYS HA 102 LYS QD 4.65 (#peak 1288)
&rst
ixpk= 1288, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1474,1475,
&end
#
# 102 LYS HA 102 LYS QE 5.00 (#peak 349)
&rst
ixpk= 349, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1477,1478,
&end
#
# 102 LYS HA 102 LYS QG 2.98 (#peak 351)
&rst
ixpk= 351, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1471,1472,
&end
#
# 102 LYS HA 103 LEU HN 3.01 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat=1466,1486, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 102 LYS HA 103 LEU HA 5.24 (#peak 1091)
&rst
ixpk= 1091, nxpk= 0, iat=1466,1488, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 102 LYS HA 103 LEU HB2 4.70 (#peak 3241)
&rst
ixpk= 3241, nxpk= 0, iat=1466,1490, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 102 LYS HA 103 LEU HG 4.51 (#peak 1895)
&rst
ixpk= 1895, nxpk= 0, iat=1466,1493, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 102 LYS HA 109 ALA QB 5.32 (#peak 3483)
&rst
ixpk= 3483, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1570,1571,1572,
&end
#
# 102 LYS HB2 102 LYS QE 4.59 (#peak 4883)
&rst
ixpk= 4883, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1477,1478,
&end
#
# 102 LYS HB2 103 LEU HN 4.60 (#peak 4882)
&rst
ixpk= 4882, nxpk= 0, iat=1468,1486, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 102 LYS HB3 102 LYS QD 2.91 (#peak 4050)
&rst
ixpk= 4050, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1474,1475,
&end
#
# 102 LYS HB3 102 LYS QE 4.26 (#peak 4886)
&rst
ixpk= 4886, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1477,1478,
&end
#
# 102 LYS HB3 103 LEU HN 4.37 (#peak 4887)
&rst
ixpk= 4887, nxpk= 0, iat=1469,1486, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 102 LYS N 63 PHE O 3.3
&rst
ixpk= 4887, nxpk= 0, iat=1463, 895, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 LYS QD 102 LYS QE 2.48 (#peak 3865)
&rst
ixpk= 3865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 102 LYS QD 103 LEU HN 4.24 (#peak 1289)
&rst
ixpk= 1289, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1474,1475,
&end
#
# 102 LYS QD 109 ALA HA 3.98 (#peak 1885)
&rst
ixpk= 1885, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1474,1475,
&end
#
# 102 LYS QD 109 ALA QB 2.98 (#peak 3457)
&rst
ixpk= 3457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1474,1475,
igr2=1570,1571,1572,
&end
#
# 102 LYS QD 110 LYS HN 4.35 (#peak 4004)
&rst
ixpk= 4004, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1474,1475,
&end
#
# 102 LYS QD 110 LYS HB3 5.57 (#peak 1255)
&rst
ixpk= 1255, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1474,1475,
&end
#
# 102 LYS QD 111 PHE QE 4.33 (#peak 38)
&rst
ixpk= 38, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1474,1475,
igr2=1608,1612,
&end
#
# 102 LYS QE 103 LEU HN 4.89 (#peak 2955)
&rst
ixpk= 2955, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1477,1478,
&end
#
# 102 LYS QE 104 THR HA 5.53 (#peak 2948)
&rst
ixpk= 2948, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1477,1478,
&end
#
# 102 LYS QE 105 GLU HN 5.90 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1477,1478,
&end
#
# 102 LYS QE 109 ALA HA 3.13 (#peak 2126)
&rst
ixpk= 2126, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1477,1478,
&end
#
# 102 LYS QE 109 ALA QB 5.45 (#peak 2970)
&rst
ixpk= 2970, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1477,1478,
igr2=1570,1571,1572,
&end
#
# 102 LYS QE 110 LYS HN 5.32 (#peak 295)
&rst
ixpk= 295, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1477,1478,
&end
#
# 102 LYS QE 111 PHE HZ 5.90 (#peak 1525)
&rst
ixpk= 1525, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1477,1478,
&end
#
# 102 LYS QG 102 LYS QE 3.19 (#peak 2207)
&rst
ixpk= 2207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1471,1472,
igr2=1477,1478,
&end
#
# 102 LYS QG 103 LEU HN 3.57 (#peak 2184)
&rst
ixpk= 2184, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1471,1472,
&end
#
# 102 LYS QG 111 PHE QD 5.90 (#peak 4075)
&rst
ixpk= 4075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1471,1472,
igr2=1606,1614,
&end
#
# 102 LYS QG 111 PHE QE 5.12 (#peak 2185)
&rst
ixpk= 2185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1471,1472,
igr2=1608,1612,
&end
#
# 103 LEU HN 103 LEU HB2 3.39 (#peak 482)
&rst
ixpk= 482, nxpk= 0, iat=1486,1490, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 103 LEU HN 103 LEU HB3 3.70 (#peak 483)
&rst
ixpk= 483, nxpk= 0, iat=1486,1491, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 103 LEU HN 103 LEU HG 3.64 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat=1486,1493, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 103 LEU HN 103 LEU QQD 3.54 (#peak 2285)
&rst
ixpk= 2285, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 103 LEU HN 104 THR HN 5.05 (#peak 478)
&rst
ixpk= 478, nxpk= 0, iat=1486,1505, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 103 LEU HA 103 LEU HG 4.26 (#peak 1894)
&rst
ixpk= 1894, nxpk= 0, iat=1488,1493, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 103 LEU HA 103 LEU QQD 3.00 (#peak 2308)
&rst
ixpk= 2308, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 103 LEU HA 104 THR HN 3.36 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat=1488,1505, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 103 LEU HA 111 PHE HZ 5.90 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat=1488,1610, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 103 LEU HB2 104 THR HN 4.67 (#peak 3707)
&rst
ixpk= 3707, nxpk= 0, iat=1490,1505, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 103 LEU HB3 103 LEU QQD 3.26 (#peak 2289)
&rst
ixpk= 2289, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1499,1500,1501,1495,1496,1497,
&end
#
# 103 LEU HB3 104 THR HN 4.35 (#peak 1366)
&rst
ixpk= 1366, nxpk= 0, iat=1491,1505, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 103 LEU QQD 104 THR HN 4.14 (#peak 2305)
&rst
ixpk= 2305, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1499,1500,1501,1495,1496,1497,
&end
#
# 104 THR HN 104 THR HG1 5.61 (#peak 4866)
&rst
ixpk= 4866, nxpk= 0, iat=1505,1515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 104 THR HN 104 THR QG2 3.53 (#peak 2047)
&rst
ixpk= 2047, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1511,1512,1513,
&end
#
# 104 THR HN 105 GLU HN 5.41 (#peak 308)
&rst
ixpk= 308, nxpk= 0, iat=1505,1519, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 104 THR HN 109 ALA QB 3.98 (#peak 3449)
&rst
ixpk= 3449, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1570,1571,1572,
&end
#
# 104 THR HA 104 THR QG2 3.21 (#peak 2054)
&rst
ixpk= 2054, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1511,1512,1513,
&end
#
# 104 THR HA 105 GLU HN 3.30 (#peak 4513)
&rst
ixpk= 4513, nxpk= 0, iat=1507,1519, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 104 THR HA 105 GLU HB3 5.81 (#peak 2682)
&rst
ixpk= 2682, nxpk= 0, iat=1507,1524, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 104 THR HA 105 GLU HG2 4.68 (#peak 2671)
&rst
ixpk= 2671, nxpk= 0, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 104 THR HA 105 GLU HG3 4.88 (#peak 2672)
&rst
ixpk= 2672, nxpk= 0, iat=1507,1527, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 104 THR HA 108 GLY HN 5.00 (#peak 4528)
&rst
ixpk= 4528, nxpk= 0, iat=1507,1559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 THR HA 109 ALA HN 4.76 (#peak 2668)
&rst
ixpk= 2668, nxpk= 0, iat=1507,1566, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 104 THR HA 109 ALA HA 3.86 (#peak 1883)
&rst
ixpk= 1883, nxpk= 0, iat=1507,1568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 104 THR HA 109 ALA QB 3.15 (#peak 3454)
&rst
ixpk= 3454, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1570,1571,1572,
&end
#
# 104 THR HB 105 GLU HN 4.15 (#peak 2746)
&rst
ixpk= 2746, nxpk= 0, iat=1509,1519, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 104 THR HB 108 GLY HN 4.72 (#peak 1563)
&rst
ixpk= 1563, nxpk= 0, iat=1509,1559, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 104 THR HB 108 GLY HA2 4.09 (#peak 2394)
&rst
ixpk= 2394, nxpk= 0, iat=1509,1561, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 104 THR HB 108 GLY HA3 5.16 (#peak 3302)
&rst
ixpk= 3302, nxpk= 0, iat=1509,1562, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 104 THR HB 109 ALA HN 5.09 (#peak 1850)
&rst
ixpk= 1850, nxpk= 0, iat=1509,1566, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 104 THR HB 109 ALA QB 4.37 (#peak 3452)
&rst
ixpk= 3452, nxpk= 0, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1570,1571,1572,
&end
#
# 104 THR HG1 105 GLU HN 5.90 (#peak 4863)
&rst
ixpk= 4863, nxpk= 0, iat=1515,1519, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 104 THR HG1 109 ALA QB 5.90 (#peak 4872)
&rst
ixpk= 4872, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1570,1571,1572,
&end
#
# 104 THR QG2 104 THR HG1 3.88 (#peak 4868)
&rst
ixpk= 4868, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 105 GLU HN 3.95 (#peak 2050)
&rst
ixpk= 2050, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 108 GLY HN 5.14 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 108 GLY HA2 4.40 (#peak 3296)
&rst
ixpk= 3296, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 108 GLY HA3 4.38 (#peak 3304)
&rst
ixpk= 3304, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 109 ALA HN 3.40 (#peak 2048)
&rst
ixpk= 2048, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 109 ALA HA 4.43 (#peak 1909)
&rst
ixpk= 1909, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1511,1512,1513,
&end
#
# 104 THR QG2 109 ALA QB 2.91 (#peak 2056)
&rst
ixpk= 2056, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1511,1512,1513,
igr2=1570,1571,1572,
&end
#
# 105 GLU HN 105 GLU HB3 3.98 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 105 GLU HN 105 GLU HG2 3.91 (#peak 316)
&rst
ixpk= 316, nxpk= 0, iat=1519,1526, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 105 GLU HN 105 GLU HG3 4.08 (#peak 4878)
&rst
ixpk= 4878, nxpk= 0, iat=1519,1527, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 105 GLU HN 106 ALA HN 4.85 (#peak 289)
&rst
ixpk= 289, nxpk= 0, iat=1519,1534, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 105 GLU HN 107 GLU HN 5.11 (#peak 1411)
&rst
ixpk= 1411, nxpk= 0, iat=1519,1544, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 105 GLU HN 108 GLY HN 4.73 (#peak 1036)
&rst
ixpk= 1036, nxpk= 0, iat=1519,1559, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 105 GLU HN 108 GLY HA3 5.90 (#peak 2641)
&rst
ixpk= 2641, nxpk= 0, iat=1519,1562, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 105 GLU HN 109 ALA HN 4.76 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat=1519,1566, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 105 GLU HN 109 ALA HA 4.43 (#peak 1908)
&rst
ixpk= 1908, nxpk= 0, iat=1519,1568, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 105 GLU HN 109 ALA QB 3.88 (#peak 1033)
&rst
ixpk= 1033, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1570,1571,1572,
&end
#
# 105 GLU HA 105 GLU HG2 4.19 (#peak 4874)
&rst
ixpk= 4874, nxpk= 0, iat=1521,1526, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 105 GLU HA 105 GLU HG3 3.72 (#peak 2054)
&rst
ixpk= 2054, nxpk= 0, iat=1521,1527, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 105 GLU HA 107 GLU HN 5.70 (#peak 2047)
&rst
ixpk= 2047, nxpk= 0, iat=1521,1544, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 105 GLU HB2 106 ALA HN 3.66 (#peak 852)
&rst
ixpk= 852, nxpk= 0, iat=1523,1534, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 105 GLU HB2 106 ALA HA 5.39 (#peak 3211)
&rst
ixpk= 3211, nxpk= 0, iat=1523,1536, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 105 GLU HB2 106 ALA QB 3.79 (#peak 3804)
&rst
ixpk= 3804, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1538,1539,1540,
&end
#
# 105 GLU HB2 107 GLU HN 4.44 (#peak 1622)
&rst
ixpk= 1622, nxpk= 0, iat=1523,1544, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 105 GLU HB2 108 GLY HN 5.90 (#peak 3218)
&rst
ixpk= 3218, nxpk= 0, iat=1523,1559, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 105 GLU HB3 105 GLU HG2 2.88 (#peak 3242)
&rst
ixpk= 3242, nxpk= 0, iat=1524,1526, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 105 GLU HB3 106 ALA HN 3.94 (#peak 3475)
&rst
ixpk= 3475, nxpk= 0, iat=1524,1534, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 105 GLU HB3 106 ALA QB 5.25 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1538,1539,1540,
&end
#
# 105 GLU HB3 107 GLU HN 5.53 (#peak 857)
&rst
ixpk= 857, nxpk= 0, iat=1524,1544, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 105 GLU HG2 106 ALA HN 4.56 (#peak 4865)
&rst
ixpk= 4865, nxpk= 0, iat=1526,1534, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 105 GLU HG2 107 GLU HN 4.66 (#peak 1419)
&rst
ixpk= 1419, nxpk= 0, iat=1526,1544, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 105 GLU HG2 108 GLY HN 5.07 (#peak 3252)
&rst
ixpk= 3252, nxpk= 0, iat=1526,1559, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 105 GLU HG2 109 ALA HN 5.90 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat=1526,1566, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 105 GLU HG3 106 ALA HN 4.19 (#peak 4898)
&rst
ixpk= 4898, nxpk= 0, iat=1527,1534, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 105 GLU HG3 106 ALA HA 5.00 (#peak 3320)
&rst
ixpk= 3320, nxpk= 0, iat=1527,1536, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 GLU HG3 107 GLU HN 5.22 (#peak 4902)
&rst
ixpk= 4902, nxpk= 0, iat=1527,1544, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 105 GLU HG3 108 GLY HN 5.30 (#peak 3319)
&rst
ixpk= 3319, nxpk= 0, iat=1527,1559, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 106 ALA HN 106 ALA QB 2.85 (#peak 3801)
&rst
ixpk= 3801, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1538,1539,1540,
&end
#
# 106 ALA HN 107 GLU HN 3.95 (#peak 1414)
&rst
ixpk= 1414, nxpk= 0, iat=1534,1544, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 106 ALA HN 108 GLY HN 5.24 (#peak 1561)
&rst
ixpk= 1561, nxpk= 0, iat=1534,1559, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 106 ALA HA 107 GLU HA 4.83 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat=1536,1546, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 106 ALA HA 108 GLY HN 4.91 (#peak 1107)
&rst
ixpk= 1107, nxpk= 0, iat=1536,1559, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 106 ALA QB 107 GLU HN 3.11 (#peak 3802)
&rst
ixpk= 3802, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1538,1539,1540,
&end
#
# 106 ALA QB 107 GLU HA 4.60 (#peak 1994)
&rst
ixpk= 1994, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1538,1539,1540,
&end
#
# 106 ALA QB 107 GLU QG 3.40 (#peak 3805)
&rst
ixpk= 3805, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1538,1539,1540,
igr2=1551,1552,
&end
#
# 106 ALA QB 108 GLY HN 4.48 (#peak 3833)
&rst
ixpk= 3833, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1538,1539,1540,
&end
#
# 107 GLU HN 107 GLU HB2 4.05 (#peak 1094)
&rst
ixpk= 1094, nxpk= 0, iat=1544,1548, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 107 GLU HN 107 GLU HB3 3.54 (#peak 1421)
&rst
ixpk= 1421, nxpk= 0, iat=1544,1549, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 107 GLU HN 107 GLU QG 3.53 (#peak 1420)
&rst
ixpk= 1420, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1551,1552,
&end
#
# 107 GLU HN 108 GLY HN 3.72 (#peak 1412)
&rst
ixpk= 1412, nxpk= 0, iat=1544,1559, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 107 GLU HN 108 GLY HA3 5.77 (#peak 2640)
&rst
ixpk= 2640, nxpk= 0, iat=1544,1562, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 107 GLU HA 107 GLU QG 3.10 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1551,1552,
&end
#
# 107 GLU HA 108 GLY HA3 4.78 (#peak 3299)
&rst
ixpk= 3299, nxpk= 0, iat=1546,1562, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 107 GLU HB2 108 GLY HN 5.87 (#peak 1109)
&rst
ixpk= 1109, nxpk= 0, iat=1548,1559, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 107 GLU HB3 108 GLY HN 4.50 (#peak 1567)
&rst
ixpk= 1567, nxpk= 0, iat=1549,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 GLU QG 108 GLY HN 4.79 (#peak 5008)
&rst
ixpk= 5008, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1551,1552,
&end
#
# 108 GLY HN 109 ALA HN 4.69 (#peak 333)
&rst
ixpk= 333, nxpk= 0, iat=1559,1566, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 108 GLY HN 109 ALA QB 5.83 (#peak 1569)
&rst
ixpk= 1569, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1570,1571,1572,
&end
#
# 108 GLY HA3 109 ALA QB 4.90 (#peak 3306)
&rst
ixpk= 3306, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1570,1571,1572,
&end
#
# 109 ALA HN 109 ALA QB 3.23 (#peak 3450)
&rst
ixpk= 3450, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1570,1571,1572,
&end
#
# 109 ALA HN 111 PHE QD 5.26 (#peak 334)
&rst
ixpk= 334, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1606,1614,
&end
#
# 109 ALA HN 21 VAL O 2.4
&rst
ixpk= 334, nxpk= 0, iat=1566, 279, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 109 ALA HA 111 PHE QD 5.06 (#peak 2152)
&rst
ixpk= 2152, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1606,1614,
&end
#
# 109 ALA N 21 VAL O 3.3
&rst
ixpk= 2152, nxpk= 0, iat=1565, 279, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 ALA QB 110 LYS HN 5.75 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1570,1571,1572,
&end
#
# 109 ALA QB 111 PHE QE 5.19 (#peak 4187)
&rst
ixpk= 4187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1570,1571,1572,
igr2=1608,1612,
&end
#
# 110 LYS HA 111 PHE HN 3.55 (#peak 120)
&rst
ixpk= 120, nxpk= 0, iat=1578,1598, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 110 LYS HB2 111 PHE HN 5.60 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat=1580,1598, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 110 LYS HB3 111 PHE HN 5.03 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat=1581,1598, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 110 LYS QE 112 ASN HA 3.48 (#peak 1312)
&rst
ixpk= 1312, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1589,1590,
&end
#
# 110 LYS QE 112 ASN HB2 3.48 (#peak 965)
&rst
ixpk= 965, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1589,1590,
&end
#
# 110 LYS QG 110 LYS QD 2.78 (#peak 1233)
&rst
ixpk= 1233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1583,1584,
igr2=1586,1587,
&end
#
# 110 LYS QG 111 PHE HN 5.28 (#peak 2171)
&rst
ixpk= 2171, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1583,1584,
&end
#
# 111 PHE HN 111 PHE QD 4.42 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1606,1614,
&end
#
# 111 PHE HN 112 ASN HN 5.46 (#peak 117)
&rst
ixpk= 117, nxpk= 0, iat=1598,1618, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 111 PHE HN 113 THR QG2 5.25 (#peak 2773)
&rst
ixpk= 2773, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1638,1639,1640,
&end
#
# 111 PHE HN 19 VAL O 2.4
&rst
ixpk= 2773, nxpk= 0, iat=1598, 249, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 111 PHE HA 111 PHE QD 4.21 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1606,1614,
&end
#
# 111 PHE HA 111 PHE QE 4.83 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1608,1612,
&end
#
# 111 PHE HA 112 ASN HN 3.50 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat=1600,1618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 PHE HA 112 ASN HB2 4.97 (#peak 4805)
&rst
ixpk= 4805, nxpk= 0, iat=1600,1622, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 111 PHE HB3 112 ASN HN 4.61 (#peak 3377)
&rst
ixpk= 3377, nxpk= 0, iat=1603,1618, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 111 PHE HB3 113 THR QG2 3.93 (#peak 2673)
&rst
ixpk= 2673, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1638,1639,1640,
&end
#
# 111 PHE N 19 VAL O 3.3
&rst
ixpk= 2673, nxpk= 0, iat=1597, 249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 111 PHE QD 112 ASN HN 5.19 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1606,1614,
&end
#
# 112 ASN HN 112 ASN HB2 3.83 (#peak 664)
&rst
ixpk= 664, nxpk= 0, iat=1618,1622, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 112 ASN HN 112 ASN HB3 3.98 (#peak 3086)
&rst
ixpk= 3086, nxpk= 0, iat=1618,1623, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 112 ASN HN 112 ASN HD21 5.90 (#peak 676)
&rst
ixpk= 676, nxpk= 0, iat=1618,1627, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 112 ASN HN 112 ASN HD22 5.77 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat=1618,1628, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 112 ASN HA 112 ASN HD21 5.58 (#peak 1988)
&rst
ixpk= 1988, nxpk= 0, iat=1620,1627, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 112 ASN HA 112 ASN HD22 5.88 (#peak 1439)
&rst
ixpk= 1439, nxpk= 0, iat=1620,1628, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 112 ASN HA 113 THR HN 3.52 (#peak 1278)
&rst
ixpk= 1278, nxpk= 0, iat=1620,1632, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 112 ASN HA 113 THR QG2 4.42 (#peak 1991)
&rst
ixpk= 1991, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1638,1639,1640,
&end
#
# 112 ASN HB2 113 THR HN 4.71 (#peak 1094)
&rst
ixpk= 1094, nxpk= 0, iat=1622,1632, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 112 ASN HB2 114 ALA HN 4.96 (#peak 252)
&rst
ixpk= 252, nxpk= 0, iat=1622,1646, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 112 ASN HB3 113 THR HN 4.70 (#peak 1099)
&rst
ixpk= 1099, nxpk= 0, iat=1623,1632, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 112 ASN HB3 113 THR HA 5.21 (#peak 3084)
&rst
ixpk= 3084, nxpk= 0, iat=1623,1634, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 112 ASN HB3 114 ALA HN 5.46 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat=1623,1646, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 112 ASN HD21 114 ALA QB 4.54 (#peak 3819)
&rst
ixpk= 3819, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1650,1651,1652,
&end
#
# 112 ASN HD22 114 ALA HN 4.90 (#peak 648)
&rst
ixpk= 648, nxpk= 0, iat=1628,1646, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 112 ASN HD22 114 ALA QB 4.11 (#peak 3498)
&rst
ixpk= 3498, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1650,1651,1652,
&end
#
# 112 ASN HD22 115 ASN HD21 4.23 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat=1628,1665, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 112 ASN HD22 116 LEU QD2 5.57 (#peak 1778)
&rst
ixpk= 1778, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1683,1684,1685,
&end
#
# 113 THR HN 113 THR QG2 3.64 (#peak 2701)
&rst
ixpk= 2701, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1638,1639,1640,
&end
#
# 113 THR HN 114 ALA HN 3.67 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat=1632,1646, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 113 THR HN 114 ALA QB 4.12 (#peak 3519)
&rst
ixpk= 3519, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1650,1651,1652,
&end
#
# 113 THR HN 17 THR O 2.4
&rst
ixpk= 3519, nxpk= 0, iat=1632, 222, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 113 THR HA 113 THR QG2 3.21 (#peak 2704)
&rst
ixpk= 2704, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1638,1639,1640,
&end
#
# 113 THR HA 115 ASN HN 4.96 (#peak 2522)
&rst
ixpk= 2522, nxpk= 0, iat=1634,1656, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 113 THR HA 116 LEU HN 4.35 (#peak 4840)
&rst
ixpk= 4840, nxpk= 0, iat=1634,1670, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 113 THR HA 116 LEU HB2 5.08 (#peak 4836)
&rst
ixpk= 4836, nxpk= 0, iat=1634,1674, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 113 THR HA 116 LEU HG 4.48 (#peak 4837)
&rst
ixpk= 4837, nxpk= 0, iat=1634,1677, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 113 THR HA 116 LEU QD1 4.58 (#peak 2529)
&rst
ixpk= 2529, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1679,1680,1681,
&end
#
# 113 THR HA 116 LEU QD2 3.72 (#peak 1854)
&rst
ixpk= 1854, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1683,1684,1685,
&end
#
# 113 THR HA 152 LEU QD2 5.90 (#peak 1591)
&rst
ixpk= 1591, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2230,2231,2232,
&end
#
# 113 THR HB 116 LEU HN 5.22 (#peak 1204)
&rst
ixpk= 1204, nxpk= 0, iat=1636,1670, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 113 THR HB 116 LEU HB2 5.16 (#peak 3474)
&rst
ixpk= 3474, nxpk= 0, iat=1636,1674, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 113 THR HB 116 LEU HB3 5.39 (#peak 3475)
&rst
ixpk= 3475, nxpk= 0, iat=1636,1675, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 113 THR HB 116 LEU QD2 3.83 (#peak 4757)
&rst
ixpk= 4757, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1683,1684,1685,
&end
#
# 113 THR HB 152 LEU QD2 4.12 (#peak 5402)
&rst
ixpk= 5402, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2230,2231,2232,
&end
#
# 113 THR N 17 THR O 3.3
&rst
ixpk= 5402, nxpk= 0, iat=1631, 222, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 THR QG2 114 ALA HN 4.41 (#peak 285)
&rst
ixpk= 285, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1638,1639,1640,
&end
#
# 113 THR QG2 116 LEU HN 4.73 (#peak 2671)
&rst
ixpk= 2671, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1638,1639,1640,
&end
#
# 113 THR QG2 116 LEU HB2 4.47 (#peak 2674)
&rst
ixpk= 2674, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1638,1639,1640,
&end
#
# 113 THR QG2 116 LEU HG 4.23 (#peak 4551)
&rst
ixpk= 4551, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1638,1639,1640,
&end
#
# 113 THR QG2 116 LEU QD2 3.29 (#peak 2707)
&rst
ixpk= 2707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1638,1639,1640,
igr2=1683,1684,1685,
&end
#
# 114 ALA HN 114 ALA QB 2.80 (#peak 3501)
&rst
ixpk= 3501, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1650,1651,1652,
&end
#
# 114 ALA HN 115 ASN HN 4.18 (#peak 1341)
&rst
ixpk= 1341, nxpk= 0, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 114 ALA HN 116 LEU HN 5.10 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat=1646,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 114 ALA HN 116 LEU QD2 5.69 (#peak 4747)
&rst
ixpk= 4747, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1683,1684,1685,
&end
#
# 114 ALA HA 116 LEU HN 4.86 (#peak 706)
&rst
ixpk= 706, nxpk= 0, iat=1648,1670, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 114 ALA QB 115 ASN HN 3.72 (#peak 1350)
&rst
ixpk= 1350, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1650,1651,1652,
&end
#
# 114 ALA QB 115 ASN HB2 5.04 (#peak 3520)
&rst
ixpk= 3520, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1650,1651,1652,
&end
#
# 114 ALA QB 115 ASN HD21 3.88 (#peak 3818)
&rst
ixpk= 3818, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1650,1651,1652,
&end
#
# 114 ALA QB 115 ASN HD22 4.82 (#peak 3817)
&rst
ixpk= 3817, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1650,1651,1652,
&end
#
# 115 ASN HN 115 ASN HB2 3.90 (#peak 1348)
&rst
ixpk= 1348, nxpk= 0, iat=1656,1660, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 115 ASN HN 115 ASN HB3 3.79 (#peak 4464)
&rst
ixpk= 4464, nxpk= 0, iat=1656,1661, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 115 ASN HN 115 ASN HD21 4.86 (#peak 1344)
&rst
ixpk= 1344, nxpk= 0, iat=1656,1665, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 115 ASN HN 115 ASN HD22 4.81 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat=1656,1666, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 115 ASN HN 116 LEU HN 3.60 (#peak 777)
&rst
ixpk= 777, nxpk= 0, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 115 ASN HN 116 LEU HA 5.10 (#peak 1346)
&rst
ixpk= 1346, nxpk= 0, iat=1656,1672, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 115 ASN HN 116 LEU QD1 5.09 (#peak 4612)
&rst
ixpk= 4612, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1679,1680,1681,
&end
#
# 115 ASN HN 116 LEU QD2 4.82 (#peak 1903)
&rst
ixpk= 1903, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1683,1684,1685,
&end
#
# 115 ASN HA 115 ASN HD22 5.12 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 115 ASN HB2 116 LEU HN 4.50 (#peak 781)
&rst
ixpk= 781, nxpk= 0, iat=1660,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 ASN HB3 116 LEU HN 4.56 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat=1661,1670, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 115 ASN HB3 116 LEU QD1 5.09 (#peak 3197)
&rst
ixpk= 3197, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1679,1680,1681,
&end
#
# 116 LEU HN 116 LEU HB2 3.70 (#peak 783)
&rst
ixpk= 783, nxpk= 0, iat=1670,1674, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 116 LEU HN 116 LEU HG 4.15 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat=1670,1677, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 116 LEU HN 116 LEU QD1 4.04 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1679,1680,1681,
&end
#
# 116 LEU HN 116 LEU QD2 4.00 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1683,1684,1685,
&end
#
# 116 LEU HN 117 PRO HD2 5.46 (#peak 2465)
&rst
ixpk= 2465, nxpk= 0, iat=1670,1690, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 116 LEU HN 117 PRO HD3 5.44 (#peak 780)
&rst
ixpk= 780, nxpk= 0, iat=1670,1691, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 116 LEU HA 116 LEU HG 3.75 (#peak 1414)
&rst
ixpk= 1414, nxpk= 0, iat=1672,1677, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 116 LEU HA 116 LEU QD1 2.98 (#peak 2455)
&rst
ixpk= 2455, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1679,1680,1681,
&end
#
# 116 LEU HA 116 LEU QD2 4.10 (#peak 2281)
&rst
ixpk= 2281, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1683,1684,1685,
&end
#
# 116 LEU HA 117 PRO HD2 3.39 (#peak 1725)
&rst
ixpk= 1725, nxpk= 0, iat=1672,1690, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 116 LEU HA 117 PRO HD3 3.15 (#peak 1738)
&rst
ixpk= 1738, nxpk= 0, iat=1672,1691, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 116 LEU HA 117 PRO HG2 4.61 (#peak 1413)
&rst
ixpk= 1413, nxpk= 0, iat=1672,1693, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 116 LEU HA 117 PRO HG3 4.60 (#peak 1489)
&rst
ixpk= 1489, nxpk= 0, iat=1672,1694, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 116 LEU HA 121 TYR HE2 5.88 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat=1672,1760, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 116 LEU HA 121 TYR HH 4.34 (#peak 2282)
&rst
ixpk= 2282, nxpk= 0, iat=1672,1758, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 116 LEU HB2 116 LEU QD1 3.98 (#peak 1697)
&rst
ixpk= 1697, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1679,1680,1681,
&end
#
# 116 LEU HB2 116 LEU QD2 3.58 (#peak 1855)
&rst
ixpk= 1855, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1683,1684,1685,
&end
#
# 116 LEU HB2 117 PRO HD2 4.81 (#peak 2473)
&rst
ixpk= 2473, nxpk= 0, iat=1674,1690, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 116 LEU HB2 117 PRO HD3 5.39 (#peak 1790)
&rst
ixpk= 1790, nxpk= 0, iat=1674,1691, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 116 LEU HB2 121 TYR HH 4.86 (#peak 3835)
&rst
ixpk= 3835, nxpk= 0, iat=1674,1758, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 116 LEU HB2 152 LEU QD2 3.52 (#peak 1656)
&rst
ixpk= 1656, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2230,2231,2232,
&end
#
# 116 LEU HB3 116 LEU QD1 3.87 (#peak 4078)
&rst
ixpk= 4078, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1679,1680,1681,
&end
#
# 116 LEU HB3 116 LEU QD2 3.71 (#peak 4079)
&rst
ixpk= 4079, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1683,1684,1685,
&end
#
# 116 LEU HB3 117 PRO HD3 4.65 (#peak 2721)
&rst
ixpk= 2721, nxpk= 0, iat=1675,1691, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 116 LEU HB3 121 TYR HH 4.12 (#peak 4134)
&rst
ixpk= 4134, nxpk= 0, iat=1675,1758, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 116 LEU HB3 152 LEU QD1 4.04 (#peak 5441)
&rst
ixpk= 5441, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2226,2227,2228,
&end
#
# 116 LEU QD1 117 PRO HD2 3.03 (#peak 2456)
&rst
ixpk= 2456, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1679,1680,1681,
&end
#
# 116 LEU QD1 117 PRO HD3 3.22 (#peak 2422)
&rst
ixpk= 2422, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1679,1680,1681,
&end
#
# 116 LEU QD1 117 PRO HG2 4.90 (#peak 4626)
&rst
ixpk= 4626, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1679,1680,1681,
&end
#
# 116 LEU QD1 117 PRO HG3 4.89 (#peak 3497)
&rst
ixpk= 3497, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1679,1680,1681,
&end
#
# 116 LEU QD1 121 TYR HE2 4.31 (#peak 4617)
&rst
ixpk= 4617, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1679,1680,1681,
&end
#
# 116 LEU QD1 121 TYR HH 4.32 (#peak 4611)
&rst
ixpk= 4611, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1679,1680,1681,
&end
#
# 116 LEU QD1 121 TYR QD 4.46 (#peak 1292)
&rst
ixpk= 1292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1679,1680,1681,
igr2=1753,1762,
&end
#
# 116 LEU QD2 117 PRO HD2 4.71 (#peak 2475)
&rst
ixpk= 2475, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1683,1684,1685,
&end
#
# 116 LEU QD2 117 PRO HD3 5.19 (#peak 2723)
&rst
ixpk= 2723, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1683,1684,1685,
&end
#
# 116 LEU QD2 121 TYR HB3 5.90 (#peak 3286)
&rst
ixpk= 3286, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1683,1684,1685,
&end
#
# 116 LEU QD2 121 TYR HE1 5.90 (#peak 1408)
&rst
ixpk= 1408, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1683,1684,1685,
&end
#
# 116 LEU QD2 121 TYR HE2 4.83 (#peak 4751)
&rst
ixpk= 4751, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1683,1684,1685,
&end
#
# 116 LEU QD2 121 TYR HH 4.86 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1683,1684,1685,
&end
#
# 116 LEU QD2 152 LEU QD1 4.95 (#peak 5440)
&rst
ixpk= 5440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1683,1684,1685,
igr2=2226,2227,2228,
&end
#
# 116 LEU QD2 152 LEU QD2 4.48 (#peak 1654)
&rst
ixpk= 1654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1683,1684,1685,
igr2=2230,2231,2232,
&end
#
# 117 PRO HA 118 ALA HN 3.50 (#peak 4827)
&rst
ixpk= 4827, nxpk= 0, iat=1699,1703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 PRO HA 118 ALA QB 4.22 (#peak 4831)
&rst
ixpk= 4831, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1707,1708,1709,
&end
#
# 117 PRO HA 121 TYR HH 5.39 (#peak 2101)
&rst
ixpk= 2101, nxpk= 0, iat=1699,1758, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 117 PRO HB2 118 ALA HN 3.70 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat=1696,1703, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 117 PRO HB2 118 ALA QB 3.88 (#peak 3845)
&rst
ixpk= 3845, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1707,1708,1709,
&end
#
# 117 PRO HB2 121 TYR HH 4.86 (#peak 3303)
&rst
ixpk= 3303, nxpk= 0, iat=1696,1758, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 117 PRO HB3 118 ALA HN 3.48 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat=1697,1703, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 117 PRO HB3 121 TYR HH 5.39 (#peak 272)
&rst
ixpk= 272, nxpk= 0, iat=1697,1758, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 117 PRO HD2 121 TYR HH 4.39 (#peak 2470)
&rst
ixpk= 2470, nxpk= 0, iat=1690,1758, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 117 PRO HD3 121 TYR HH 4.44 (#peak 2724)
&rst
ixpk= 2724, nxpk= 0, iat=1691,1758, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 117 PRO HG2 121 TYR HE1 5.70 (#peak 3469)
&rst
ixpk= 3469, nxpk= 0, iat=1693,1755, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 117 PRO HG2 121 TYR HH 4.31 (#peak 3458)
&rst
ixpk= 3458, nxpk= 0, iat=1693,1758, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 117 PRO HG3 118 ALA HN 5.15 (#peak 397)
&rst
ixpk= 397, nxpk= 0, iat=1694,1703, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 117 PRO HG3 121 TYR HH 4.41 (#peak 1486)
&rst
ixpk= 1486, nxpk= 0, iat=1694,1758, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 118 ALA HN 118 ALA QB 2.88 (#peak 3916)
&rst
ixpk= 3916, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1707,1708,1709,
&end
#
# 118 ALA HN 119 ALA HN 4.25 (#peak 390)
&rst
ixpk= 390, nxpk= 0, iat=1703,1713, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 118 ALA HN 119 ALA HA 5.47 (#peak 392)
&rst
ixpk= 392, nxpk= 0, iat=1703,1715, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 118 ALA HN 121 TYR HH 5.63 (#peak 4)
&rst
ixpk= 4, nxpk= 0, iat=1703,1758, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 118 ALA HA 119 ALA HN 3.34 (#peak 710)
&rst
ixpk= 710, nxpk= 0, iat=1705,1713, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 118 ALA HA 121 TYR HE1 4.57 (#peak 2435)
&rst
ixpk= 2435, nxpk= 0, iat=1705,1755, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 118 ALA HA 121 TYR HH 5.90 (#peak 4846)
&rst
ixpk= 4846, nxpk= 0, iat=1705,1758, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 118 ALA HA 152 LEU HN 5.90 (#peak 1600)
&rst
ixpk= 1600, nxpk= 0, iat=1705,2217, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 118 ALA HA 152 LEU HB2 4.28 (#peak 3583)
&rst
ixpk= 3583, nxpk= 0, iat=1705,2221, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 118 ALA QB 119 ALA HN 3.67 (#peak 3895)
&rst
ixpk= 3895, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1707,1708,1709,
&end
#
# 118 ALA QB 121 TYR HH 5.66 (#peak 3878)
&rst
ixpk= 3878, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1707,1708,1709,
&end
#
# 119 ALA HN 119 ALA QB 3.29 (#peak 3510)
&rst
ixpk= 3510, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1717,1718,1719,
&end
#
# 119 ALA HN 120 LYS HN 4.75 (#peak 217)
&rst
ixpk= 217, nxpk= 0, iat=1713,1723, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 119 ALA HN 121 TYR HE1 4.10 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat=1713,1755, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 119 ALA HN 121 TYR HE2 5.90 (#peak 1377)
&rst
ixpk= 1377, nxpk= 0, iat=1713,1760, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 119 ALA HN 121 TYR HH 4.96 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat=1713,1758, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 119 ALA HN 121 TYR QD 5.62 (#peak 1269)
&rst
ixpk= 1269, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=1753,1762,
&end
#
# 119 ALA HN 151 GLU HA 5.43 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat=1713,2204, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 119 ALA HN 151 GLU QG 4.43 (#peak 221)
&rst
ixpk= 221, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2209,2210,
&end
#
# 119 ALA HN 152 LEU HB3 5.62 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat=1713,2222, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 119 ALA HN 152 LEU HG 4.56 (#peak 3592)
&rst
ixpk= 3592, nxpk= 0, iat=1713,2224, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 119 ALA HN 152 LEU QD1 4.86 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2226,2227,2228,
&end
#
# 119 ALA HA 120 LYS HN 3.00 (#peak 1565)
&rst
ixpk= 1565, nxpk= 0, iat=1715,1723, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 ALA HA 121 TYR HE1 5.09 (#peak 2285)
&rst
ixpk= 2285, nxpk= 0, iat=1715,1755, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 119 ALA QB 120 LYS HN 2.66 (#peak 3511)
&rst
ixpk= 3511, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1=1717,1718,1719,
&end
#
# 119 ALA QB 121 TYR HE1 4.36 (#peak 1404)
&rst
ixpk= 1404, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1717,1718,1719,
&end
#
# 119 ALA QB 121 TYR HH 3.67 (#peak 5435)
&rst
ixpk= 5435, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1717,1718,1719,
&end
#
# 120 LYS HN 120 LYS HB2 4.09 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 120 LYS HN 120 LYS HB3 3.89 (#peak 1053)
&rst
ixpk= 1053, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 120 LYS HN 120 LYS HG2 4.57 (#peak 1983)
&rst
ixpk= 1983, nxpk= 0, iat=1723,1730, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 120 LYS HN 120 LYS HG3 3.62 (#peak 1054)
&rst
ixpk= 1054, nxpk= 0, iat=1723,1731, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 120 LYS HN 120 LYS QD 4.44 (#peak 1127)
&rst
ixpk= 1127, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1733,1734,
&end
#
# 120 LYS HN 120 LYS QE 5.12 (#peak 1039)
&rst
ixpk= 1039, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1736,1737,
&end
#
# 120 LYS HN 121 TYR HN 4.72 (#peak 1055)
&rst
ixpk= 1055, nxpk= 0, iat=1723,1745, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 120 LYS HN 121 TYR HE1 5.55 (#peak 1049)
&rst
ixpk= 1049, nxpk= 0, iat=1723,1755, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 120 LYS HN 121 TYR HH 5.90 (#peak 1088)
&rst
ixpk= 1088, nxpk= 0, iat=1723,1758, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 120 LYS HN 151 GLU HA 5.75 (#peak 1040)
&rst
ixpk= 1040, nxpk= 0, iat=1723,2204, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 120 LYS HN 151 GLU QG 4.58 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2209,2210,
&end
#
# 120 LYS HA 120 LYS HG3 3.99 (#peak 1950)
&rst
ixpk= 1950, nxpk= 0, iat=1725,1731, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 120 LYS HA 120 LYS QD 5.01 (#peak 1027)
&rst
ixpk= 1027, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1733,1734,
&end
#
# 120 LYS HA 121 TYR HN 3.32 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat=1725,1745, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 120 LYS HA 151 GLU QG 3.88 (#peak 5039)
&rst
ixpk= 5039, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=2209,2210,
&end
#
# 120 LYS HA 152 LEU HN 4.97 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat=1725,2217, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 120 LYS HB2 120 LYS QD 3.37 (#peak 3761)
&rst
ixpk= 3761, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1733,1734,
&end
#
# 120 LYS HB2 120 LYS QE 4.54 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1736,1737,
&end
#
# 120 LYS HB2 121 TYR HN 4.39 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat=1727,1745, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 120 LYS HB3 120 LYS QE 4.36 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1736,1737,
&end
#
# 120 LYS HB3 121 TYR HN 4.60 (#peak 66)
&rst
ixpk= 66, nxpk= 0, iat=1728,1745, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 120 LYS HG2 120 LYS QE 3.61 (#peak 1985)
&rst
ixpk= 1985, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1736,1737,
&end
#
# 120 LYS HG2 151 GLU HA 4.83 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat=1730,2204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 120 LYS HG2 151 GLU HB2 4.73 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat=1730,2206, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 120 LYS HG2 151 GLU HB3 5.13 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat=1730,2207, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 120 LYS HG2 151 GLU QG 4.28 (#peak 5040)
&rst
ixpk= 5040, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2209,2210,
&end
#
# 120 LYS HG3 120 LYS QE 3.71 (#peak 1991)
&rst
ixpk= 1991, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1736,1737,
&end
#
# 120 LYS HG3 121 TYR HN 4.86 (#peak 1949)
&rst
ixpk= 1949, nxpk= 0, iat=1731,1745, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 120 LYS HG3 151 GLU HA 4.64 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat=1731,2204, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 120 LYS HG3 151 GLU HB2 5.21 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat=1731,2206, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 120 LYS HG3 151 GLU HB3 4.87 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat=1731,2207, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 120 LYS HG3 151 GLU QG 3.84 (#peak 5058)
&rst
ixpk= 5058, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2209,2210,
&end
#
# 120 LYS QE 121 TYR HN 5.50 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1736,1737,
&end
#
# 121 TYR HN 121 TYR HE1 5.34 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat=1745,1755, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 121 TYR HN 121 TYR QD 4.27 (#peak 862)
&rst
ixpk= 862, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1753,1762,
&end
#
# 121 TYR HN 122 LYS HN 5.02 (#peak 184)
&rst
ixpk= 184, nxpk= 0, iat=1745,1766, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 121 TYR HN 122 LYS QE 5.50 (#peak 868)
&rst
ixpk= 868, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1779,1780,
&end
#
# 121 TYR HN 150 ILE HN 4.21 (#peak 858)
&rst
ixpk= 858, nxpk= 0, iat=1745,2183, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 121 TYR HN 150 ILE HA 5.86 (#peak 866)
&rst
ixpk= 866, nxpk= 0, iat=1745,2185, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 121 TYR HN 150 ILE O 2.4
&rst
ixpk= 866, nxpk= 0, iat=1745,2200, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 121 TYR HN 150 ILE QG2 3.88 (#peak 4260)
&rst
ixpk= 4260, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2189,2190,2191,
&end
#
# 121 TYR HN 151 GLU HN 5.90 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat=1745,2202, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 121 TYR HN 151 GLU HA 3.99 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat=1745,2204, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 121 TYR HN 151 GLU HB2 5.27 (#peak 3530)
&rst
ixpk= 3530, nxpk= 0, iat=1745,2206, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 121 TYR HN 151 GLU QG 4.83 (#peak 5041)
&rst
ixpk= 5041, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2209,2210,
&end
#
# 121 TYR HA 121 TYR QD 3.55 (#peak 142)
&rst
ixpk= 142, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1753,1762,
&end
#
# 121 TYR HA 122 LYS HN 3.30 (#peak 1932)
&rst
ixpk= 1932, nxpk= 0, iat=1747,1766, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 121 TYR HA 123 ILE QD1 5.90 (#peak 1792)
&rst
ixpk= 1792, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1801,1802,1803,
&end
#
# 121 TYR HB2 121 TYR HE1 4.93 (#peak 2792)
&rst
ixpk= 2792, nxpk= 0, iat=1749,1755, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 121 TYR HB2 122 LYS HN 4.00 (#peak 914)
&rst
ixpk= 914, nxpk= 0, iat=1749,1766, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 TYR HB2 150 ILE QG2 3.61 (#peak 4224)
&rst
ixpk= 4224, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2189,2190,2191,
&end
#
# 121 TYR HB3 122 LYS HN 3.89 (#peak 3276)
&rst
ixpk= 3276, nxpk= 0, iat=1750,1766, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 121 TYR HB3 150 ILE QG2 3.49 (#peak 4263)
&rst
ixpk= 4263, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2189,2190,2191,
&end
#
# 121 TYR HE1 121 TYR HH 3.52 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat=1755,1758, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 121 TYR HE1 152 LEU HN 5.10 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat=1755,2217, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 121 TYR HE1 152 LEU HG 4.65 (#peak 3602)
&rst
ixpk= 3602, nxpk= 0, iat=1755,2224, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 121 TYR HE1 152 LEU QD2 4.10 (#peak 4217)
&rst
ixpk= 4217, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2230,2231,2232,
&end
#
# 121 TYR HE2 121 TYR HH 3.51 (#peak 8)
&rst
ixpk= 8, nxpk= 0, iat=1760,1758, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 121 TYR HE2 152 LEU QD2 5.39 (#peak 4223)
&rst
ixpk= 4223, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2230,2231,2232,
&end
#
# 121 TYR HH 152 LEU HG 5.27 (#peak 3588)
&rst
ixpk= 3588, nxpk= 0, iat=1758,2224, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 121 TYR HH 152 LEU QD2 4.16 (#peak 1650)
&rst
ixpk= 1650, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2230,2231,2232,
&end
#
# 121 TYR N 150 ILE O 3.3
&rst
ixpk= 1650, nxpk= 0, iat=1744,2200, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 121 TYR QD 121 TYR HE1 3.65 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1753,1762,
&end
#
# 121 TYR QD 121 TYR HE2 3.80 (#peak 1274)
&rst
ixpk= 1274, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1753,1762,
&end
#
# 121 TYR QD 121 TYR HH 4.71 (#peak 1271)
&rst
ixpk= 1271, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1753,1762,
&end
#
# 121 TYR QD 122 LYS HN 4.32 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1753,1762,
&end
#
# 121 TYR QD 150 ILE HN 5.48 (#peak 368)
&rst
ixpk= 368, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1753,1762,
&end
#
# 121 TYR QD 150 ILE QG2 3.85 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1753,1762,
igr2=2189,2190,2191,
&end
#
# 121 TYR QD 151 GLU HA 5.41 (#peak 471)
&rst
ixpk= 471, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1753,1762,
&end
#
# 121 TYR QD 151 GLU QG 5.90 (#peak 1153)
&rst
ixpk= 1153, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1753,1762,
igr2=2209,2210,
&end
#
# 121 TYR QD 152 LEU QD2 5.39 (#peak 5443)
&rst
ixpk= 5443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1753,1762,
igr2=2230,2231,2232,
&end
#
# 122 LYS HN 122 LYS HB2 4.17 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 122 LYS HN 122 LYS QG 4.79 (#peak 1869)
&rst
ixpk= 1869, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1773,1774,
&end
#
# 122 LYS HN 124 TYR QE 5.86 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1817,1822,
&end
#
# 122 LYS HN 150 ILE QG2 4.90 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2189,2190,2191,
&end
#
# 122 LYS HN 66 THR O 2.4
&rst
ixpk= 916, nxpk= 0, iat=1766, 949, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 122 LYS HA 122 LYS HD2 5.44 (#peak 1731)
&rst
ixpk= 1731, nxpk= 0, iat=1768,1776, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 122 LYS HA 122 LYS HD3 5.90 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat=1768,1777, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 122 LYS HA 122 LYS QE 5.54 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1779,1780,
&end
#
# 122 LYS HA 122 LYS QG 3.43 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1773,1774,
&end
#
# 122 LYS HA 123 ILE HN 3.48 (#peak 932)
&rst
ixpk= 932, nxpk= 0, iat=1768,1788, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 122 LYS HA 123 ILE HA 5.57 (#peak 1728)
&rst
ixpk= 1728, nxpk= 0, iat=1768,1790, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 122 LYS HA 124 TYR QE 5.36 (#peak 1727)
&rst
ixpk= 1727, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1817,1822,
&end
#
# 122 LYS HA 148 ILE HB 5.18 (#peak 1734)
&rst
ixpk= 1734, nxpk= 0, iat=1768,2153, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 122 LYS HA 148 ILE QG2 5.23 (#peak 4106)
&rst
ixpk= 4106, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2155,2156,2157,
&end
#
# 122 LYS HA 149 GLU HN 5.55 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat=1768,2168, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 122 LYS HA 149 GLU HA 4.25 (#peak 933)
&rst
ixpk= 933, nxpk= 0, iat=1768,2170, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 122 LYS HA 150 ILE HN 4.47 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat=1768,2183, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 122 LYS HA 150 ILE QG2 4.88 (#peak 1733)
&rst
ixpk= 1733, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2189,2190,2191,
&end
#
# 122 LYS HB2 122 LYS HD3 3.97 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat=1770,1777, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 122 LYS HB2 122 LYS QE 3.78 (#peak 3645)
&rst
ixpk= 3645, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1779,1780,
&end
#
# 122 LYS HB2 123 ILE HN 5.11 (#peak 1043)
&rst
ixpk= 1043, nxpk= 0, iat=1770,1788, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 122 LYS HB2 123 ILE QD1 5.28 (#peak 4786)
&rst
ixpk= 4786, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1801,1802,1803,
&end
#
# 122 LYS HB2 124 TYR QD 5.23 (#peak 3553)
&rst
ixpk= 3553, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1815,1824,
&end
#
# 122 LYS HB2 124 TYR QE 4.02 (#peak 3552)
&rst
ixpk= 3552, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1817,1822,
&end
#
# 122 LYS HB3 122 LYS HD2 3.43 (#peak 3685)
&rst
ixpk= 3685, nxpk= 0, iat=1771,1776, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 122 LYS HB3 122 LYS QE 4.83 (#peak 5092)
&rst
ixpk= 5092, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1779,1780,
&end
#
# 122 LYS HB3 123 ILE HN 4.75 (#peak 5124)
&rst
ixpk= 5124, nxpk= 0, iat=1771,1788, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 122 LYS HB3 124 TYR QD 4.60 (#peak 4101)
&rst
ixpk= 4101, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1815,1824,
&end
#
# 122 LYS HB3 124 TYR QE 3.68 (#peak 4113)
&rst
ixpk= 4113, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1817,1822,
&end
#
# 122 LYS HD2 124 TYR QD 4.99 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1815,1824,
&end
#
# 122 LYS HD2 124 TYR QE 3.69 (#peak 3690)
&rst
ixpk= 3690, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1817,1822,
&end
#
# 122 LYS HD3 124 TYR QE 4.25 (#peak 3786)
&rst
ixpk= 3786, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1817,1822,
&end
#
# 122 LYS HD3 149 GLU HA 4.37 (#peak 799)
&rst
ixpk= 799, nxpk= 0, iat=1777,2170, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 122 LYS N 66 THR O 3.3
&rst
ixpk= 799, nxpk= 0, iat=1765, 949, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 122 LYS QE 124 TYR QE 4.81 (#peak 3035)
&rst
ixpk= 3035, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1779,1780,
igr2=1817,1822,
&end
#
# 122 LYS QE 149 GLU HN 5.80 (#peak 210)
&rst
ixpk= 210, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1779,1780,
&end
#
# 122 LYS QE 149 GLU HA 3.68 (#peak 1945)
&rst
ixpk= 1945, nxpk= 0, iat= -1,2170, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1779,1780,
&end
#
# 122 LYS QE 149 GLU HB2 4.45 (#peak 3736)
&rst
ixpk= 3736, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1779,1780,
&end
#
# 122 LYS QE 149 GLU QG 4.28 (#peak 3701)
&rst
ixpk= 3701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1779,1780,
igr2=2175,2176,
&end
#
# 122 LYS QG 122 LYS QE 2.92 (#peak 3675)
&rst
ixpk= 3675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1773,1774,
igr2=1779,1780,
&end
#
# 122 LYS QG 124 TYR QE 5.17 (#peak 1825)
&rst
ixpk= 1825, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1773,1774,
igr2=1817,1822,
&end
#
# 122 LYS QG 149 GLU HA 5.05 (#peak 1927)
&rst
ixpk= 1927, nxpk= 0, iat= -1,2170, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1773,1774,
&end
#
# 122 LYS QG 149 GLU HB2 4.34 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1773,1774,
&end
#
# 122 LYS QG 149 GLU HB3 4.79 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1773,1774,
&end
#
# 122 LYS QG 150 ILE HN 4.98 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1773,1774,
&end
#
# 123 ILE HN 123 ILE HB 4.07 (#peak 4424)
&rst
ixpk= 4424, nxpk= 0, iat=1788,1792, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 123 ILE HN 123 ILE HG12 4.73 (#peak 2233)
&rst
ixpk= 2233, nxpk= 0, iat=1788,1798, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 123 ILE HN 123 ILE HG13 5.22 (#peak 4834)
&rst
ixpk= 4834, nxpk= 0, iat=1788,1799, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 123 ILE HN 123 ILE QD1 3.86 (#peak 4721)
&rst
ixpk= 4721, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1801,1802,1803,
&end
#
# 123 ILE HN 123 ILE QG2 4.01 (#peak 3635)
&rst
ixpk= 3635, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1794,1795,1796,
&end
#
# 123 ILE HN 124 TYR HN 5.24 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat=1788,1807, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 123 ILE HN 124 TYR QD 5.08 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1815,1824,
&end
#
# 123 ILE HN 124 TYR QE 5.06 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1817,1822,
&end
#
# 123 ILE HN 148 ILE O 2.4
&rst
ixpk= 604, nxpk= 0, iat=1788,2166, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 123 ILE HN 150 ILE QG2 4.79 (#peak 1045)
&rst
ixpk= 1045, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2189,2190,2191,
&end
#
# 123 ILE HA 123 ILE QD1 4.34 (#peak 4783)
&rst
ixpk= 4783, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1801,1802,1803,
&end
#
# 123 ILE HA 123 ILE QG2 3.16 (#peak 3599)
&rst
ixpk= 3599, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1794,1795,1796,
&end
#
# 123 ILE HA 124 TYR HN 3.39 (#peak 5158)
&rst
ixpk= 5158, nxpk= 0, iat=1790,1807, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 123 ILE HA 124 TYR HB2 4.92 (#peak 5160)
&rst
ixpk= 5160, nxpk= 0, iat=1790,1811, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 123 ILE HA 124 TYR QD 4.36 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1815,1824,
&end
#
# 123 ILE HB 123 ILE QD1 3.39 (#peak 4690)
&rst
ixpk= 4690, nxpk= 0, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1801,1802,1803,
&end
#
# 123 ILE HB 124 TYR HN 5.43 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat=1792,1807, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 123 ILE HB 148 ILE HB 3.79 (#peak 4276)
&rst
ixpk= 4276, nxpk= 0, iat=1792,2153, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 123 ILE HB 148 ILE HG12 4.72 (#peak 1449)
&rst
ixpk= 1449, nxpk= 0, iat=1792,2159, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 123 ILE HB 148 ILE QD1 5.43 (#peak 4427)
&rst
ixpk= 4427, nxpk= 0, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2162,2163,2164,
&end
#
# 123 ILE HG12 124 TYR HN 5.66 (#peak 4678)
&rst
ixpk= 4678, nxpk= 0, iat=1798,1807, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 123 ILE HG12 148 ILE HB 5.14 (#peak 4682)
&rst
ixpk= 4682, nxpk= 0, iat=1798,2153, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 123 ILE HG12 150 ILE QD1 4.85 (#peak 4502)
&rst
ixpk= 4502, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2196,2197,2198,
&end
#
# 123 ILE HG12 162 VAL QG2 5.44 (#peak 4520)
&rst
ixpk= 4520, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2376,2377,2378,
&end
#
# 123 ILE HG13 124 TYR HN 5.50 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat=1799,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 ILE HG13 148 ILE HB 5.57 (#peak 4839)
&rst
ixpk= 4839, nxpk= 0, iat=1799,2153, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 123 ILE HG13 150 ILE QG2 4.27 (#peak 4841)
&rst
ixpk= 4841, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2189,2190,2191,
&end
#
# 123 ILE N 148 ILE O 3.3
&rst
ixpk= 4841, nxpk= 0, iat=1787,2166, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 123 ILE QD1 124 TYR HN 5.07 (#peak 4776)
&rst
ixpk= 4776, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 148 ILE HA 5.43 (#peak 2519)
&rst
ixpk= 2519, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 148 ILE HB 4.00 (#peak 3811)
&rst
ixpk= 3811, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 148 ILE HG12 5.19 (#peak 3755)
&rst
ixpk= 3755, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 148 ILE QD1 3.27 (#peak 5488)
&rst
ixpk= 5488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1801,1802,1803,
igr2=2162,2163,2164,
&end
#
# 123 ILE QD1 148 ILE QG2 3.20 (#peak 4082)
&rst
ixpk= 4082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1801,1802,1803,
igr2=2155,2156,2157,
&end
#
# 123 ILE QD1 149 GLU HA 5.05 (#peak 1931)
&rst
ixpk= 1931, nxpk= 0, iat= -1,2170, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 150 ILE HA 5.61 (#peak 2079)
&rst
ixpk= 2079, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 150 ILE HB 4.07 (#peak 3914)
&rst
ixpk= 3914, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 150 ILE HG12 4.55 (#peak 1457)
&rst
ixpk= 1457, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 150 ILE HG13 4.86 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 150 ILE QD1 3.24 (#peak 4503)
&rst
ixpk= 4503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1801,1802,1803,
igr2=2196,2197,2198,
&end
#
# 123 ILE QD1 150 ILE QG2 2.50 (#peak 4691)
&rst
ixpk= 4691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1801,1802,1803,
igr2=2189,2190,2191,
&end
#
# 123 ILE QD1 162 VAL HB 4.77 (#peak 3599)
&rst
ixpk= 3599, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1801,1802,1803,
&end
#
# 123 ILE QD1 162 VAL QG1 3.94 (#peak 4801)
&rst
ixpk= 4801, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1801,1802,1803,
igr2=2372,2373,2374,
&end
#
# 123 ILE QG2 123 ILE HG12 3.67 (#peak 3603)
&rst
ixpk= 3603, nxpk= 0, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 123 ILE HG13 3.39 (#peak 3605)
&rst
ixpk= 3605, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 123 ILE QD1 3.16 (#peak 4791)
&rst
ixpk= 4791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1794,1795,1796,
igr2=1801,1802,1803,
&end
#
# 123 ILE QG2 124 TYR HN 3.85 (#peak 3595)
&rst
ixpk= 3595, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 124 TYR HB3 5.90 (#peak 3273)
&rst
ixpk= 3273, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 124 TYR QD 5.34 (#peak 4651)
&rst
ixpk= 4651, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1794,1795,1796,
igr2=1815,1824,
&end
#
# 123 ILE QG2 125 GLU HB2 4.68 (#peak 3637)
&rst
ixpk= 3637, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 148 ILE HB 4.32 (#peak 3548)
&rst
ixpk= 3548, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 148 ILE QD1 3.84 (#peak 1709)
&rst
ixpk= 1709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1794,1795,1796,
igr2=2162,2163,2164,
&end
#
# 123 ILE QG2 162 VAL HB 5.90 (#peak 5251)
&rst
ixpk= 5251, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1794,1795,1796,
&end
#
# 123 ILE QG2 162 VAL QG2 4.27 (#peak 3199)
&rst
ixpk= 3199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1794,1795,1796,
igr2=2376,2377,2378,
&end
#
# 124 TYR HN 124 TYR QD 3.91 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1815,1824,
&end
#
# 124 TYR HN 124 TYR QE 5.50 (#peak 1357)
&rst
ixpk= 1357, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1817,1822,
&end
#
# 124 TYR HN 126 ILE QD1 5.76 (#peak 83)
&rst
ixpk= 83, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=1856,1857,1858,
&end
#
# 124 TYR HN 64 VAL O 2.4
&rst
ixpk= 83, nxpk= 0, iat=1807, 911, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 124 TYR HA 124 TYR QD 3.65 (#peak 2242)
&rst
ixpk= 2242, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1815,1824,
&end
#
# 124 TYR HA 124 TYR QE 5.90 (#peak 594)
&rst
ixpk= 594, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1817,1822,
&end
#
# 124 TYR HA 147 PRO HA 3.81 (#peak 36)
&rst
ixpk= 36, nxpk= 0, iat=1809,2145, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 124 TYR HB2 126 ILE QD1 3.50 (#peak 5471)
&rst
ixpk= 5471, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1856,1857,1858,
&end
#
# 124 TYR HB3 126 ILE HG12 4.94 (#peak 1758)
&rst
ixpk= 1758, nxpk= 0, iat=1812,1853, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 124 TYR HB3 126 ILE QD1 3.43 (#peak 5470)
&rst
ixpk= 5470, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1856,1857,1858,
&end
#
# 124 TYR N 64 VAL O 3.3
&rst
ixpk= 5470, nxpk= 0, iat=1806, 911, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 124 TYR QD 126 ILE QD1 3.97 (#peak 4407)
&rst
ixpk= 4407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1815,1824,
igr2=1856,1857,1858,
&end
#
# 124 TYR QD 147 PRO HB2 4.43 (#peak 4060)
&rst
ixpk= 4060, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1815,1824,
&end
#
# 124 TYR QD 147 PRO HB3 5.23 (#peak 807)
&rst
ixpk= 807, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1815,1824,
&end
#
# 124 TYR QD 147 PRO HD3 5.40 (#peak 2663)
&rst
ixpk= 2663, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1815,1824,
&end
#
# 124 TYR QD 147 PRO HG3 5.00 (#peak 1341)
&rst
ixpk= 1341, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1815,1824,
&end
#
# 124 TYR QE 147 PRO HA 5.90 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1817,1822,
&end
#
# 124 TYR QE 147 PRO HB2 3.75 (#peak 4018)
&rst
ixpk= 4018, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1817,1822,
&end
#
# 124 TYR QE 147 PRO HB3 3.68 (#peak 220)
&rst
ixpk= 220, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1817,1822,
&end
#
# 124 TYR QE 147 PRO HD2 5.73 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1817,1822,
&end
#
# 124 TYR QE 147 PRO HD3 4.90 (#peak 1710)
&rst
ixpk= 1710, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1817,1822,
&end
#
# 124 TYR QE 147 PRO HG2 4.79 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1817,1822,
&end
#
# 124 TYR QE 147 PRO HG3 4.12 (#peak 1371)
&rst
ixpk= 1371, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1817,1822,
&end
#
# 125 GLU HA 126 ILE HN 3.01 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat=1830,1843, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 125 GLU HG2 126 ILE HA 5.14 (#peak 2165)
&rst
ixpk= 2165, nxpk= 0, iat=1835,1845, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 125 GLU HG3 126 ILE HN 4.62 (#peak 5252)
&rst
ixpk= 5252, nxpk= 0, iat=1836,1843, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 126 ILE HN 126 ILE HB 4.10 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 126 ILE HN 126 ILE HG12 4.45 (#peak 174)
&rst
ixpk= 174, nxpk= 0, iat=1843,1853, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 126 ILE HN 126 ILE QD1 4.73 (#peak 545)
&rst
ixpk= 545, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1856,1857,1858,
&end
#
# 126 ILE HN 126 ILE QG2 4.17 (#peak 3968)
&rst
ixpk= 3968, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1849,1850,1851,
&end
#
# 126 ILE HA 126 ILE QD1 3.25 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1856,1857,1858,
&end
#
# 126 ILE HA 126 ILE QG2 3.41 (#peak 3971)
&rst
ixpk= 3971, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1849,1850,1851,
&end
#
# 126 ILE QG2 126 ILE HG13 3.22 (#peak 1797)
&rst
ixpk= 1797, nxpk= 0, iat= -1,1854, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1849,1850,1851,
&end
#
# 126 ILE QG2 126 ILE QD1 2.69 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1849,1850,1851,
igr2=1856,1857,1858,
&end
#
# 126 ILE QG2 128 SER HA 4.71 (#peak 5003)
&rst
ixpk= 5003, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1849,1850,1851,
&end
#
# 126 ILE QG2 128 SER HB2 4.11 (#peak 4644)
&rst
ixpk= 4644, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1849,1850,1851,
&end
#
# 126 ILE QG2 128 SER HB3 4.21 (#peak 4598)
&rst
ixpk= 4598, nxpk= 0, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1849,1850,1851,
&end
#
# 126 ILE QG2 129 LEU HN 3.49 (#peak 3969)
&rst
ixpk= 3969, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1849,1850,1851,
&end
#
# 128 SER HA 129 LEU HA 5.34 (#peak 5015)
&rst
ixpk= 5015, nxpk= 0, iat=1881,1892, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 128 SER HB2 129 LEU HN 4.90 (#peak 4623)
&rst
ixpk= 4623, nxpk= 0, iat=1883,1890, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 129 LEU HN 129 LEU HG 4.79 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat=1890,1897, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 129 LEU HN 129 LEU QD1 4.54 (#peak 2603)
&rst
ixpk= 2603, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1899,1900,1901,
&end
#
# 129 LEU HN 129 LEU QD2 4.44 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1903,1904,1905,
&end
#
# 129 LEU HA 129 LEU QD1 2.79 (#peak 2634)
&rst
ixpk= 2634, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1899,1900,1901,
&end
#
# 129 LEU HA 129 LEU QD2 4.39 (#peak 1826)
&rst
ixpk= 1826, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1903,1904,1905,
&end
#
# 129 LEU HA 129 LEU QQD 3.71 (#peak 1524)
&rst
ixpk= 1524, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1903,1904,1905,1899,1900,1901,
&end
#
# 129 LEU HB2 129 LEU QD1 3.22 (#peak 2635)
&rst
ixpk= 2635, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1899,1900,1901,
&end
#
# 129 LEU HB2 129 LEU QD2 3.25 (#peak 3279)
&rst
ixpk= 3279, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1903,1904,1905,
&end
#
# 129 LEU HB3 129 LEU QD1 3.73 (#peak 2636)
&rst
ixpk= 2636, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1899,1900,1901,
&end
#
# 129 LEU HB3 129 LEU QQD 3.02 (#peak 3974)
&rst
ixpk= 3974, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1903,1904,1905,1899,1900,1901,
&end
#
# 132 TYR HA 132 TYR QD 3.90 (#peak 2293)
&rst
ixpk= 2293, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1942,1951,
&end
#
# 132 TYR HA 133 VAL HA 5.13 (#peak 5336)
&rst
ixpk= 5336, nxpk= 0, iat=1936,1957, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 132 TYR HA 133 VAL HB 5.31 (#peak 5299)
&rst
ixpk= 5299, nxpk= 0, iat=1936,1959, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 132 TYR HB2 140 LEU QD1 5.31 (#peak 3235)
&rst
ixpk= 3235, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2045,2046,2047,
&end
#
# 132 TYR QD 133 VAL QG1 5.05 (#peak 1236)
&rst
ixpk= 1236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1942,1951,
igr2=1961,1962,1963,
&end
#
# 132 TYR QD 140 LEU QD1 3.54 (#peak 2014)
&rst
ixpk= 2014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1942,1951,
igr2=2045,2046,2047,
&end
#
# 132 TYR QD 140 LEU QD2 4.04 (#peak 2390)
&rst
ixpk= 2390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1942,1951,
igr2=2049,2050,2051,
&end
#
# 132 TYR QE 133 VAL QG1 5.49 (#peak 265)
&rst
ixpk= 265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1944,1949,
igr2=1961,1962,1963,
&end
#
# 132 TYR QE 134 GLY HA2 4.53 (#peak 3172)
&rst
ixpk= 3172, nxpk= 0, iat= -1,1973, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1944,1949,
&end
#
# 132 TYR QE 134 GLY HA3 4.66 (#peak 3144)
&rst
ixpk= 3144, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1944,1949,
&end
#
# 132 TYR QE 138 ALA QB 5.30 (#peak 1453)
&rst
ixpk= 1453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1944,1949,
igr2=2016,2017,2018,
&end
#
# 132 TYR QE 140 LEU QB 5.13 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1944,1949,
igr2=2040,2041,
&end
#
# 132 TYR QE 140 LEU QD1 4.00 (#peak 1454)
&rst
ixpk= 1454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1944,1949,
igr2=2045,2046,2047,
&end
#
# 132 TYR QE 140 LEU QD2 4.61 (#peak 1455)
&rst
ixpk= 1455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1944,1949,
igr2=2049,2050,2051,
&end
#
# 133 VAL HA 133 VAL QG1 3.44 (#peak 2543)
&rst
ixpk= 2543, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1961,1962,1963,
&end
#
# 133 VAL HB 134 GLY HN 4.81 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat=1959,1971, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 133 VAL QG1 134 GLY HN 5.90 (#peak 1401)
&rst
ixpk= 1401, nxpk= 0, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1961,1962,1963,
&end
#
# 133 VAL QG1 136 ASP HB3 5.15 (#peak 4273)
&rst
ixpk= 4273, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1961,1962,1963,
&end
#
# 133 VAL QG1 137 GLY HN 5.10 (#peak 1495)
&rst
ixpk= 1495, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1961,1962,1963,
&end
#
# 133 VAL QG1 138 ALA HN 4.47 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1961,1962,1963,
&end
#
# 133 VAL QG1 138 ALA QB 3.69 (#peak 3049)
&rst
ixpk= 3049, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1961,1962,1963,
igr2=2016,2017,2018,
&end
#
# 134 GLY HN 135 GLU QG 4.64 (#peak 5023)
&rst
ixpk= 5023, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1985,1986,
&end
#
# 134 GLY HN 136 ASP HB2 5.35 (#peak 4209)
&rst
ixpk= 4209, nxpk= 0, iat=1971,1997, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 134 GLY HA2 138 ALA HN 4.92 (#peak 3121)
&rst
ixpk= 3121, nxpk= 0, iat=1973,2012, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 134 GLY HA2 140 LEU HN 4.56 (#peak 3106)
&rst
ixpk= 3106, nxpk= 0, iat=1973,2036, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 134 GLY HA2 140 LEU QD2 4.52 (#peak 3122)
&rst
ixpk= 3122, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2049,2050,2051,
&end
#
# 134 GLY HA3 136 ASP HN 5.35 (#peak 931)
&rst
ixpk= 931, nxpk= 0, iat=1974,1993, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 134 GLY HA3 138 ALA QB 4.24 (#peak 3488)
&rst
ixpk= 3488, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2016,2017,2018,
&end
#
# 134 GLY HA3 140 LEU QD1 4.65 (#peak 3124)
&rst
ixpk= 3124, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2045,2046,2047,
&end
#
# 134 GLY HA3 140 LEU QD2 4.27 (#peak 2392)
&rst
ixpk= 2392, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2049,2050,2051,
&end
#
# 135 GLU HN 135 GLU HB3 3.98 (#peak 3506)
&rst
ixpk= 3506, nxpk= 0, iat=1978,1983, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 135 GLU HN 135 GLU QG 4.39 (#peak 5048)
&rst
ixpk= 5048, nxpk= 0, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1985,1986,
&end
#
# 135 GLU HA 135 GLU QG 3.29 (#peak 3333)
&rst
ixpk= 3333, nxpk= 0, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1985,1986,
&end
#
# 135 GLU HA 136 ASP HN 3.56 (#peak 966)
&rst
ixpk= 966, nxpk= 0, iat=1980,1993, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 135 GLU HA 138 ALA QB 5.21 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2016,2017,2018,
&end
#
# 135 GLU HB2 135 GLU QG 2.55 (#peak 5051)
&rst
ixpk= 5051, nxpk= 0, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1985,1986,
&end
#
# 135 GLU HB2 136 ASP HA 5.90 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat=1982,1995, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 135 GLU HB3 135 GLU QG 2.88 (#peak 3502)
&rst
ixpk= 3502, nxpk= 0, iat=1983, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1985,1986,
&end
#
# 135 GLU QG 136 ASP HB2 5.27 (#peak 3059)
&rst
ixpk= 3059, nxpk= 0, iat= -1,1997, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1985,1986,
&end
#
# 135 GLU QG 136 ASP HB3 5.21 (#peak 3124)
&rst
ixpk= 3124, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1985,1986,
&end
#
# 136 ASP HN 136 ASP HB2 3.40 (#peak 4233)
&rst
ixpk= 4233, nxpk= 0, iat=1993,1997, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 136 ASP HN 136 ASP HB3 3.81 (#peak 3118)
&rst
ixpk= 3118, nxpk= 0, iat=1993,1998, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 136 ASP HN 138 ALA HN 5.78 (#peak 964)
&rst
ixpk= 964, nxpk= 0, iat=1993,2012, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 136 ASP HA 136 ASP HB2 2.91 (#peak 4235)
&rst
ixpk= 4235, nxpk= 0, iat=1995,1997, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 136 ASP HA 138 ALA HN 5.72 (#peak 2169)
&rst
ixpk= 2169, nxpk= 0, iat=1995,2012, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 136 ASP HB2 137 GLY HN 4.65 (#peak 1493)
&rst
ixpk= 1493, nxpk= 0, iat=1997,2005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 136 ASP HB2 138 ALA HN 5.37 (#peak 418)
&rst
ixpk= 418, nxpk= 0, iat=1997,2012, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 136 ASP HB3 137 GLY HN 4.58 (#peak 1487)
&rst
ixpk= 1487, nxpk= 0, iat=1998,2005, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 136 ASP HB3 137 GLY HA2 5.90 (#peak 2437)
&rst
ixpk= 2437, nxpk= 0, iat=1998,2007, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 136 ASP HB3 138 ALA HN 5.60 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat=1998,2012, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 136 ASP HB3 138 ALA QB 4.67 (#peak 3523)
&rst
ixpk= 3523, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2016,2017,2018,
&end
#
# 137 GLY HN 138 ALA HN 3.58 (#peak 826)
&rst
ixpk= 826, nxpk= 0, iat=2005,2012, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 137 GLY HN 138 ALA QB 4.60 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2016,2017,2018,
&end
#
# 137 GLY HA3 138 ALA HA 5.25 (#peak 1327)
&rst
ixpk= 1327, nxpk= 0, iat=2008,2014, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 138 ALA HN 138 ALA QB 2.99 (#peak 3881)
&rst
ixpk= 3881, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2016,2017,2018,
&end
#
# 138 ALA HA 139 THR HN 3.13 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat=2014,2022, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 138 ALA QB 139 THR HN 3.42 (#peak 3506)
&rst
ixpk= 3506, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2016,2017,2018,
&end
#
# 138 ALA QB 139 THR HB 4.89 (#peak 2604)
&rst
ixpk= 2604, nxpk= 0, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2016,2017,2018,
&end
#
# 138 ALA QB 140 LEU HA 5.39 (#peak 671)
&rst
ixpk= 671, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2016,2017,2018,
&end
#
# 138 ALA QB 140 LEU QB 4.12 (#peak 3919)
&rst
ixpk= 3919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2016,2017,2018,
igr2=2040,2041,
&end
#
# 138 ALA QB 140 LEU QD1 4.51 (#peak 3877)
&rst
ixpk= 3877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2016,2017,2018,
igr2=2045,2046,2047,
&end
#
# 139 THR HN 140 LEU HN 5.48 (#peak 1282)
&rst
ixpk= 1282, nxpk= 0, iat=2022,2036, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 140 LEU HN 140 LEU QD1 4.95 (#peak 2030)
&rst
ixpk= 2030, nxpk= 0, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2045,2046,2047,
&end
#
# 140 LEU HN 140 LEU QD2 4.57 (#peak 2389)
&rst
ixpk= 2389, nxpk= 0, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2049,2050,2051,
&end
#
# 140 LEU HA 140 LEU QD1 4.10 (#peak 2326)
&rst
ixpk= 2326, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2045,2046,2047,
&end
#
# 140 LEU HA 140 LEU QD2 3.53 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2049,2050,2051,
&end
#
# 140 LEU QB 140 LEU QD1 3.09 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=2040,2041,
igr2=2045,2046,2047,
&end
#
# 140 LEU QB 140 LEU QD2 3.20 (#peak 1382)
&rst
ixpk= 1382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=2040,2041,
igr2=2049,2050,2051,
&end
#
# 140 LEU QB 141 THR HN 5.10 (#peak 1254)
&rst
ixpk= 1254, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2040,2041,
&end
#
# 140 LEU QD2 141 THR HN 4.90 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2049,2050,2051,
&end
#
# 141 THR HN 141 THR QG2 4.46 (#peak 2793)
&rst
ixpk= 2793, nxpk= 0, iat=2055, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2061,2062,2063,
&end
#
# 141 THR HA 141 THR QG2 3.61 (#peak 2869)
&rst
ixpk= 2869, nxpk= 0, iat=2057, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2061,2062,2063,
&end
#
# 141 THR HA 143 SER HN 4.54 (#peak 1139)
&rst
ixpk= 1139, nxpk= 0, iat=2057,2076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 141 THR QG2 143 SER HN 5.90 (#peak 1138)
&rst
ixpk= 1138, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2061,2062,2063,
&end
#
# 141 THR QG2 143 SER QB 4.30 (#peak 4214)
&rst
ixpk= 4214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2061,2062,2063,
igr2=2080,2081,
&end
#
# 143 SER HN 143 SER QB 4.11 (#peak 2589)
&rst
ixpk= 2589, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2080,2081,
&end
#
# 143 SER HN 144 LYS HN 5.90 (#peak 1135)
&rst
ixpk= 1135, nxpk= 0, iat=2076,2087, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 143 SER QB 144 LYS HN 4.57 (#peak 5484)
&rst
ixpk= 5484, nxpk= 0, iat= -1,2087, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2080,2081,
&end
#
# 143 SER QB 144 LYS QB 5.08 (#peak 4205)
&rst
ixpk= 4205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2080,2081,
igr2=2091,2092,
&end
#
# 143 SER QB 166 ASN HD21 4.02 (#peak 4199)
&rst
ixpk= 4199, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=2080,2081,
&end
#
# 144 LYS HN 144 LYS QB 4.15 (#peak 3667)
&rst
ixpk= 3667, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2091,2092,
&end
#
# 144 LYS HN 144 LYS QG 4.40 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2094,2095,
&end
#
# 144 LYS HN 166 ASN HD21 5.90 (#peak 1631)
&rst
ixpk= 1631, nxpk= 0, iat=2087,2448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 144 LYS HN 167 THR HN 5.80 (#peak 1624)
&rst
ixpk= 1624, nxpk= 0, iat=2087,2453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 144 LYS HN 167 THR QG2 5.59 (#peak 1625)
&rst
ixpk= 1625, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=2459,2460,2461,
&end
#
# 144 LYS HA 144 LYS QG 4.21 (#peak 4178)
&rst
ixpk= 4178, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2094,2095,
&end
#
# 144 LYS QB 145 ALA HN 4.91 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2091,2092,
&end
#
# 144 LYS QB 146 VAL HA 5.90 (#peak 5237)
&rst
ixpk= 5237, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=2091,2092,
&end
#
# 144 LYS QB 167 THR HN 5.90 (#peak 1233)
&rst
ixpk= 1233, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=2091,2092,
&end
#
# 144 LYS QD 146 VAL QG2 4.99 (#peak 1052)
&rst
ixpk= 1052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2097,2098,
igr2=2129,2130,2131,
&end
#
# 144 LYS QE 145 ALA HA 4.71 (#peak 1438)
&rst
ixpk= 1438, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2100,2101,
&end
#
# 144 LYS QE 146 VAL HA 4.83 (#peak 2074)
&rst
ixpk= 2074, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2100,2101,
&end
#
# 144 LYS QE 146 VAL QG1 4.92 (#peak 1460)
&rst
ixpk= 1460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2100,2101,
igr2=2125,2126,2127,
&end
#
# 144 LYS QE 146 VAL QG2 4.14 (#peak 3946)
&rst
ixpk= 3946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2100,2101,
igr2=2129,2130,2131,
&end
#
# 144 LYS QE 167 THR HN 5.23 (#peak 1251)
&rst
ixpk= 1251, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2100,2101,
&end
#
# 144 LYS QE 167 THR QG2 4.87 (#peak 3077)
&rst
ixpk= 3077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2100,2101,
igr2=2459,2460,2461,
&end
#
# 144 LYS QE 168 GLU HN 5.19 (#peak 470)
&rst
ixpk= 470, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2100,2101,
&end
#
# 144 LYS QG 144 LYS QE 3.68 (#peak 3945)
&rst
ixpk= 3945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2094,2095,
igr2=2100,2101,
&end
#
# 144 LYS QG 167 THR HN 5.90 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=2094,2095,
&end
#
# 145 ALA HN 145 ALA QB 3.42 (#peak 3424)
&rst
ixpk= 3424, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2113,2114,2115,
&end
#
# 145 ALA HA 146 VAL HN 3.28 (#peak 1473)
&rst
ixpk= 1473, nxpk= 0, iat=2111,2119, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 145 ALA HA 146 VAL QG2 4.32 (#peak 1519)
&rst
ixpk= 1519, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2129,2130,2131,
&end
#
# 145 ALA HA 166 ASN HA 3.81 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat=2111,2441, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 145 ALA QB 146 VAL HN 3.66 (#peak 3393)
&rst
ixpk= 3393, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2113,2114,2115,
&end
#
# 145 ALA QB 164 PRO HB2 4.62 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2113,2114,2115,
&end
#
# 145 ALA QB 164 PRO HB3 4.56 (#peak 3426)
&rst
ixpk= 3426, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2113,2114,2115,
&end
#
# 145 ALA QB 166 ASN HA 5.90 (#peak 5496)
&rst
ixpk= 5496, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2113,2114,2115,
&end
#
# 146 VAL HN 146 VAL HB 3.77 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat=2119,2123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 146 VAL HN 146 VAL QG1 3.73 (#peak 3039)
&rst
ixpk= 3039, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2125,2126,2127,
&end
#
# 146 VAL HN 146 VAL QG2 3.13 (#peak 3176)
&rst
ixpk= 3176, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2129,2130,2131,
&end
#
# 146 VAL HN 165 LYS HN 5.90 (#peak 1623)
&rst
ixpk= 1623, nxpk= 0, iat=2119,2417, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 146 VAL HA 146 VAL QG1 3.13 (#peak 3065)
&rst
ixpk= 3065, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2125,2126,2127,
&end
#
# 146 VAL HA 146 VAL QG2 3.19 (#peak 3177)
&rst
ixpk= 3177, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2129,2130,2131,
&end
#
# 146 VAL HA 147 PRO HD2 3.12 (#peak 1663)
&rst
ixpk= 1663, nxpk= 0, iat=2121,2136, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 146 VAL HA 147 PRO HD3 2.87 (#peak 2100)
&rst
ixpk= 2100, nxpk= 0, iat=2121,2137, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 146 VAL HB 147 PRO HD2 4.06 (#peak 1687)
&rst
ixpk= 1687, nxpk= 0, iat=2123,2136, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 146 VAL HB 147 PRO HD3 3.59 (#peak 1676)
&rst
ixpk= 1676, nxpk= 0, iat=2123,2137, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 146 VAL HB 167 THR QG2 4.22 (#peak 2861)
&rst
ixpk= 2861, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2459,2460,2461,
&end
#
# 146 VAL QG1 147 PRO HD2 3.67 (#peak 1666)
&rst
ixpk= 1666, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2125,2126,2127,
&end
#
# 146 VAL QG1 147 PRO HD3 3.47 (#peak 1675)
&rst
ixpk= 1675, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=2125,2126,2127,
&end
#
# 146 VAL QG1 166 ASN HA 4.40 (#peak 1841)
&rst
ixpk= 1841, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2125,2126,2127,
&end
#
# 146 VAL QG1 167 THR HN 4.64 (#peak 2949)
&rst
ixpk= 2949, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2125,2126,2127,
&end
#
# 146 VAL QG1 167 THR HA 5.90 (#peak 5497)
&rst
ixpk= 5497, nxpk= 0, iat= -1,2455, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2125,2126,2127,
&end
#
# 146 VAL QG2 147 PRO HD2 3.93 (#peak 3179)
&rst
ixpk= 3179, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 165 LYS HN 4.55 (#peak 3154)
&rst
ixpk= 3154, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 165 LYS HB2 5.08 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 166 ASN HN 4.95 (#peak 3219)
&rst
ixpk= 3219, nxpk= 0, iat= -1,2439, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 166 ASN HA 4.37 (#peak 3220)
&rst
ixpk= 3220, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 167 THR HN 5.64 (#peak 1235)
&rst
ixpk= 1235, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 167 THR HA 4.86 (#peak 4851)
&rst
ixpk= 4851, nxpk= 0, iat= -1,2455, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 167 THR HB 4.97 (#peak 2642)
&rst
ixpk= 2642, nxpk= 0, iat= -1,2457, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2129,2130,2131,
&end
#
# 146 VAL QG2 167 THR QG2 3.18 (#peak 2763)
&rst
ixpk= 2763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=2129,2130,2131,
igr2=2459,2460,2461,
&end
#
# 146 VAL QG2 168 GLU HN 5.75 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=2129,2130,2131,
&end
#
# 147 PRO HA 148 ILE HN 2.76 (#peak 509)
&rst
ixpk= 509, nxpk= 0, iat=2145,2149, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 147 PRO HB2 148 ILE HN 4.09 (#peak 782)
&rst
ixpk= 782, nxpk= 0, iat=2142,2149, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 147 PRO HB3 148 ILE HN 4.26 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat=2143,2149, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 148 ILE HN 148 ILE HB 3.56 (#peak 489)
&rst
ixpk= 489, nxpk= 0, iat=2149,2153, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 148 ILE HN 148 ILE HG12 4.56 (#peak 3756)
&rst
ixpk= 3756, nxpk= 0, iat=2149,2159, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 148 ILE HN 148 ILE HG13 4.08 (#peak 1458)
&rst
ixpk= 1458, nxpk= 0, iat=2149,2160, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 148 ILE HN 148 ILE QD1 3.95 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat=2149, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2162,2163,2164,
&end
#
# 148 ILE HA 148 ILE HG12 3.96 (#peak 1447)
&rst
ixpk= 1447, nxpk= 0, iat=2151,2159, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 148 ILE HA 148 ILE HG13 3.91 (#peak 5133)
&rst
ixpk= 5133, nxpk= 0, iat=2151,2160, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 148 ILE HA 148 ILE QD1 5.90 (#peak 4856)
&rst
ixpk= 4856, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2162,2163,2164,
&end
#
# 148 ILE HA 148 ILE QG2 3.15 (#peak 4108)
&rst
ixpk= 4108, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2155,2156,2157,
&end
#
# 148 ILE HA 149 GLU HN 3.01 (#peak 5098)
&rst
ixpk= 5098, nxpk= 0, iat=2151,2168, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 148 ILE HA 149 GLU HA 4.59 (#peak 5097)
&rst
ixpk= 5097, nxpk= 0, iat=2151,2170, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 148 ILE HA 149 GLU HB3 5.17 (#peak 781)
&rst
ixpk= 781, nxpk= 0, iat=2151,2173, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 148 ILE HG12 164 PRO HA 5.11 (#peak 1446)
&rst
ixpk= 1446, nxpk= 0, iat=2159,2413, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 148 ILE HG12 164 PRO HB2 4.71 (#peak 1448)
&rst
ixpk= 1448, nxpk= 0, iat=2159,2410, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 148 ILE HG13 164 PRO HA 4.18 (#peak 4225)
&rst
ixpk= 4225, nxpk= 0, iat=2160,2413, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 148 ILE HG13 164 PRO HB2 4.58 (#peak 461)
&rst
ixpk= 461, nxpk= 0, iat=2160,2410, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 148 ILE HG13 164 PRO HB3 4.42 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat=2160,2411, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 148 ILE QD1 149 GLU HN 5.90 (#peak 4853)
&rst
ixpk= 4853, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HA 3.83 (#peak 4651)
&rst
ixpk= 4651, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HB2 3.90 (#peak 462)
&rst
ixpk= 462, nxpk= 0, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HB3 4.07 (#peak 4495)
&rst
ixpk= 4495, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HD2 5.04 (#peak 4640)
&rst
ixpk= 4640, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HD3 4.22 (#peak 2807)
&rst
ixpk= 2807, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HG2 4.36 (#peak 1523)
&rst
ixpk= 1523, nxpk= 0, iat= -1,2407, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2162,2163,2164,
&end
#
# 148 ILE QD1 164 PRO HG3 4.02 (#peak 4671)
&rst
ixpk= 4671, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2162,2163,2164,
&end
#
# 148 ILE QG2 149 GLU HN 3.14 (#peak 4105)
&rst
ixpk= 4105, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2155,2156,2157,
&end
#
# 148 ILE QG2 164 PRO HA 4.31 (#peak 4107)
&rst
ixpk= 4107, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2155,2156,2157,
&end
#
# 149 GLU HN 149 GLU HB2 3.76 (#peak 211)
&rst
ixpk= 211, nxpk= 0, iat=2168,2172, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 149 GLU HN 149 GLU HB3 3.61 (#peak 739)
&rst
ixpk= 739, nxpk= 0, iat=2168,2173, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 149 GLU HN 149 GLU QG 4.21 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2175,2176,
&end
#
# 149 GLU HN 150 ILE HN 4.76 (#peak 385)
&rst
ixpk= 385, nxpk= 0, iat=2168,2183, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 149 GLU HA 149 GLU QG 3.94 (#peak 1923)
&rst
ixpk= 1923, nxpk= 0, iat=2170, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2175,2176,
&end
#
# 149 GLU HA 150 ILE HN 3.35 (#peak 526)
&rst
ixpk= 526, nxpk= 0, iat=2170,2183, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 149 GLU HA 150 ILE QG2 4.34 (#peak 4223)
&rst
ixpk= 4223, nxpk= 0, iat=2170, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2189,2190,2191,
&end
#
# 149 GLU HB2 150 ILE HN 4.32 (#peak 528)
&rst
ixpk= 528, nxpk= 0, iat=2172,2183, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 149 GLU HB2 150 ILE QG2 5.90 (#peak 758)
&rst
ixpk= 758, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2189,2190,2191,
&end
#
# 149 GLU HB3 150 ILE HN 4.52 (#peak 738)
&rst
ixpk= 738, nxpk= 0, iat=2173,2183, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 149 GLU HB3 150 ILE QG2 5.90 (#peak 742)
&rst
ixpk= 742, nxpk= 0, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2189,2190,2191,
&end
#
# 150 ILE HN 121 TYR O 2.4
&rst
ixpk= 742, nxpk= 0, iat=2183,1764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 150 ILE HN 150 ILE HB 4.04 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat=2183,2187, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 150 ILE HN 150 ILE HG12 4.61 (#peak 1430)
&rst
ixpk= 1430, nxpk= 0, iat=2183,2193, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 150 ILE HN 150 ILE HG13 4.97 (#peak 1464)
&rst
ixpk= 1464, nxpk= 0, iat=2183,2194, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 150 ILE HN 150 ILE QD1 5.90 (#peak 1590)
&rst
ixpk= 1590, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2196,2197,2198,
&end
#
# 150 ILE HN 150 ILE QG2 3.31 (#peak 4220)
&rst
ixpk= 4220, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2189,2190,2191,
&end
#
# 150 ILE HN 151 GLU HN 4.86 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat=2183,2202, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 150 ILE HA 150 ILE HG12 3.54 (#peak 1454)
&rst
ixpk= 1454, nxpk= 0, iat=2185,2193, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 150 ILE HA 150 ILE HG13 4.11 (#peak 1465)
&rst
ixpk= 1465, nxpk= 0, iat=2185,2194, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 150 ILE HA 150 ILE QD1 3.93 (#peak 4500)
&rst
ixpk= 4500, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2196,2197,2198,
&end
#
# 150 ILE HA 150 ILE QG2 3.59 (#peak 5349)
&rst
ixpk= 5349, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2189,2190,2191,
&end
#
# 150 ILE HA 151 GLU HN 2.90 (#peak 5366)
&rst
ixpk= 5366, nxpk= 0, iat=2185,2202, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 150 ILE HA 151 GLU HA 4.67 (#peak 460)
&rst
ixpk= 460, nxpk= 0, iat=2185,2204, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 150 ILE HA 151 GLU HB2 4.90 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat=2185,2206, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 150 ILE HB 151 GLU HN 5.90 (#peak 5387)
&rst
ixpk= 5387, nxpk= 0, iat=2187,2202, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 150 ILE HG12 151 GLU HN 3.41 (#peak 204)
&rst
ixpk= 204, nxpk= 0, iat=2193,2202, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 150 ILE HG13 151 GLU HN 4.09 (#peak 1433)
&rst
ixpk= 1433, nxpk= 0, iat=2194,2202, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 150 ILE N 121 TYR O 3.3
&rst
ixpk= 1433, nxpk= 0, iat=2182,1764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 150 ILE QD1 151 GLU HN 4.12 (#peak 4478)
&rst
ixpk= 4478, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2196,2197,2198,
&end
#
# 150 ILE QG2 150 ILE QD1 2.56 (#peak 4501)
&rst
ixpk= 4501, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=2189,2190,2191,
igr2=2196,2197,2198,
&end
#
# 150 ILE QG2 151 GLU HN 4.06 (#peak 4262)
&rst
ixpk= 4262, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2189,2190,2191,
&end
#
# 151 GLU HN 151 GLU HB2 3.65 (#peak 202)
&rst
ixpk= 202, nxpk= 0, iat=2202,2206, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 151 GLU HN 151 GLU HB3 3.72 (#peak 203)
&rst
ixpk= 203, nxpk= 0, iat=2202,2207, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 151 GLU HN 151 GLU QG 4.17 (#peak 731)
&rst
ixpk= 731, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2209,2210,
&end
#
# 151 GLU HA 151 GLU QG 3.46 (#peak 875)
&rst
ixpk= 875, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2209,2210,
&end
#
# 151 GLU HA 152 LEU HN 3.17 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat=2204,2217, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 151 GLU QG 152 LEU HN 3.56 (#peak 5053)
&rst
ixpk= 5053, nxpk= 0, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=2209,2210,
&end
#
# 152 LEU HN 152 LEU HB2 3.83 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat=2217,2221, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 152 LEU HN 152 LEU HG 4.56 (#peak 1537)
&rst
ixpk= 1537, nxpk= 0, iat=2217,2224, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 152 LEU HN 152 LEU QD1 4.40 (#peak 2354)
&rst
ixpk= 2354, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2226,2227,2228,
&end
#
# 152 LEU HN 152 LEU QD2 4.70 (#peak 1655)
&rst
ixpk= 1655, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2230,2231,2232,
&end
#
# 152 LEU HA 152 LEU QD1 4.32 (#peak 2366)
&rst
ixpk= 2366, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2226,2227,2228,
&end
#
# 152 LEU HA 152 LEU QD2 4.21 (#peak 1972)
&rst
ixpk= 1972, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2230,2231,2232,
&end
#
# 152 LEU HB2 152 LEU QD1 4.14 (#peak 2314)
&rst
ixpk= 2314, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2226,2227,2228,
&end
#
# 152 LEU HB3 152 LEU QD1 4.08 (#peak 2318)
&rst
ixpk= 2318, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2226,2227,2228,
&end
#
# 152 LEU HB3 152 LEU QD2 3.43 (#peak 1592)
&rst
ixpk= 1592, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2230,2231,2232,
&end
#
# 152 LEU HB3 153 PRO HA 5.05 (#peak 3580)
&rst
ixpk= 3580, nxpk= 0, iat=2222,2246, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 152 LEU HB3 154 LEU HN 5.43 (#peak 380)
&rst
ixpk= 380, nxpk= 0, iat=2222,2250, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 153 PRO HA 154 LEU HN 3.44 (#peak 4521)
&rst
ixpk= 4521, nxpk= 0, iat=2246,2250, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 153 PRO HB3 154 LEU HN 4.67 (#peak 5361)
&rst
ixpk= 5361, nxpk= 0, iat=2244,2250, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 154 LEU HN 154 LEU HB2 3.97 (#peak 4039)
&rst
ixpk= 4039, nxpk= 0, iat=2250,2254, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 154 LEU HN 154 LEU HB3 3.83 (#peak 4043)
&rst
ixpk= 4043, nxpk= 0, iat=2250,2255, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 154 LEU HN 154 LEU HG 5.08 (#peak 3607)
&rst
ixpk= 3607, nxpk= 0, iat=2250,2257, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 154 LEU HN 154 LEU QQD 3.92 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2263,2264,2265,2259,2260,2261,
&end
#
# 154 LEU HN 155 ASN HN 4.96 (#peak 367)
&rst
ixpk= 367, nxpk= 0, iat=2250,2269, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 154 LEU HA 154 LEU HG 3.73 (#peak 1367)
&rst
ixpk= 1367, nxpk= 0, iat=2252,2257, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 154 LEU HA 154 LEU QQD 3.01 (#peak 2102)
&rst
ixpk= 2102, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2263,2264,2265,2259,2260,2261,
&end
#
# 154 LEU HA 155 ASN HN 3.15 (#peak 974)
&rst
ixpk= 974, nxpk= 0, iat=2252,2269, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 154 LEU HB2 154 LEU QQD 3.62 (#peak 4042)
&rst
ixpk= 4042, nxpk= 0, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2263,2264,2265,2259,2260,2261,
&end
#
# 154 LEU HB2 155 ASN HN 4.77 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat=2254,2269, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 154 LEU HB3 154 LEU QQD 3.20 (#peak 4048)
&rst
ixpk= 4048, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2263,2264,2265,2259,2260,2261,
&end
#
# 154 LEU HB3 155 ASN HN 4.74 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat=2255,2269, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 155 ASN HN 155 ASN QB 3.96 (#peak 691)
&rst
ixpk= 691, nxpk= 0, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2273,2274,
&end
#
# 155 ASN HN 157 VAL QG2 4.44 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2305,2306,2307,
&end
#
# 155 ASN HA 155 ASN HD21 4.70 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat=2271,2278, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 155 ASN HA 155 ASN HD22 5.80 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat=2271,2279, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 155 ASN HA 157 VAL QG2 5.66 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=2305,2306,2307,
&end
#
# 155 ASN HB2 155 ASN HD21 3.89 (#peak 4710)
&rst
ixpk= 4710, nxpk= 0, iat=2273,2278, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 155 ASN HB2 156 ASP HN 4.82 (#peak 4708)
&rst
ixpk= 4708, nxpk= 0, iat=2273,2283, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 155 ASN HB2 157 VAL QG1 4.02 (#peak 4709)
&rst
ixpk= 4709, nxpk= 0, iat=2273, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2301,2302,2303,
&end
#
# 155 ASN HB2 157 VAL QG2 5.09 (#peak 4675)
&rst
ixpk= 4675, nxpk= 0, iat=2273, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2305,2306,2307,
&end
#
# 155 ASN HB3 155 ASN HD21 3.63 (#peak 4715)
&rst
ixpk= 4715, nxpk= 0, iat=2274,2278, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 155 ASN HB3 156 ASP HN 4.85 (#peak 4714)
&rst
ixpk= 4714, nxpk= 0, iat=2274,2283, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 155 ASN HB3 157 VAL QG1 3.81 (#peak 2728)
&rst
ixpk= 2728, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2301,2302,2303,
&end
#
# 155 ASN HB3 157 VAL QG2 4.91 (#peak 4679)
&rst
ixpk= 4679, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2305,2306,2307,
&end
#
# 155 ASN HD21 156 ASP HN 5.90 (#peak 1236)
&rst
ixpk= 1236, nxpk= 0, iat=2278,2283, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 155 ASN HD21 157 VAL QG2 5.13 (#peak 1242)
&rst
ixpk= 1242, nxpk= 0, iat=2278, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2305,2306,2307,
&end
#
# 155 ASN HD22 157 VAL QG1 5.70 (#peak 151)
&rst
ixpk= 151, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=2301,2302,2303,
&end
#
# 155 ASN HD22 157 VAL QG2 5.12 (#peak 1191)
&rst
ixpk= 1191, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2305,2306,2307,
&end
#
# 155 ASN QB 155 ASN HD21 3.99 (#peak 1238)
&rst
ixpk= 1238, nxpk= 0, iat= -1,2278, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2273,2274,
&end
#
# 155 ASN QB 156 ASP HN 3.96 (#peak 2984)
&rst
ixpk= 2984, nxpk= 0, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2273,2274,
&end
#
# 155 ASN QB 157 VAL HN 4.42 (#peak 628)
&rst
ixpk= 628, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2273,2274,
&end
#
# 155 ASN QB 157 VAL QG2 4.59 (#peak 4292)
&rst
ixpk= 4292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=2273,2274,
igr2=2305,2306,2307,
&end
#
# 156 ASP HN 156 ASP QB 3.78 (#peak 790)
&rst
ixpk= 790, nxpk= 0, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2287,2288,
&end
#
# 156 ASP HN 157 VAL HN 4.84 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat=2283,2295, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 156 ASP HN 157 VAL QG1 4.13 (#peak 4108)
&rst
ixpk= 4108, nxpk= 0, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2301,2302,2303,
&end
#
# 156 ASP QB 157 VAL HN 4.07 (#peak 635)
&rst
ixpk= 635, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2287,2288,
&end
#
# 156 ASP QB 157 VAL HA 4.53 (#peak 2571)
&rst
ixpk= 2571, nxpk= 0, iat= -1,2297, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2287,2288,
&end
#
# 156 ASP QB 157 VAL QG1 4.80 (#peak 3078)
&rst
ixpk= 3078, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2287,2288,
igr2=2301,2302,2303,
&end
#
# 157 VAL HN 157 VAL HB 3.75 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat=2295,2299, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 157 VAL HN 157 VAL QG1 2.97 (#peak 2730)
&rst
ixpk= 2730, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=2301,2302,2303,
&end
#
# 157 VAL HN 157 VAL QG2 4.00 (#peak 2657)
&rst
ixpk= 2657, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2305,2306,2307,
&end
#
# 157 VAL HN 158 VAL HN 5.14 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat=2295,2311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 157 VAL HA 157 VAL QG1 2.90 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2301,2302,2303,
&end
#
# 157 VAL HA 157 VAL QG2 3.16 (#peak 4422)
&rst
ixpk= 4422, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2305,2306,2307,
&end
#
# 157 VAL HA 158 VAL HN 3.06 (#peak 4439)
&rst
ixpk= 4439, nxpk= 0, iat=2297,2311, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 157 VAL HA 158 VAL HB 4.84 (#peak 291)
&rst
ixpk= 291, nxpk= 0, iat=2297,2315, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 157 VAL HA 158 VAL QQG 3.49 (#peak 2568)
&rst
ixpk= 2568, nxpk= 0, iat=2297, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2317,2318,2319,2321,2322,2323,
&end
#
# 157 VAL HA 159 ASP HN 4.12 (#peak 957)
&rst
ixpk= 957, nxpk= 0, iat=2297,2327, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 157 VAL HB 158 VAL HN 4.65 (#peak 384)
&rst
ixpk= 384, nxpk= 0, iat=2299,2311, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 157 VAL HB 159 ASP HN 5.30 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat=2299,2327, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 157 VAL HB 160 ALA QB 5.39 (#peak 2549)
&rst
ixpk= 2549, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2343,2344,2345,
&end
#
# 157 VAL QG1 158 VAL HN 4.03 (#peak 2654)
&rst
ixpk= 2654, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2301,2302,2303,
&end
#
# 157 VAL QG1 160 ALA HA 5.90 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2301,2302,2303,
&end
#
# 157 VAL QG2 158 VAL HN 3.81 (#peak 2656)
&rst
ixpk= 2656, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2305,2306,2307,
&end
#
# 157 VAL QG2 159 ASP HN 3.28 (#peak 2658)
&rst
ixpk= 2658, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2305,2306,2307,
&end
#
# 157 VAL QG2 159 ASP HA 4.45 (#peak 1775)
&rst
ixpk= 1775, nxpk= 0, iat= -1,2329, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2305,2306,2307,
&end
#
# 157 VAL QG2 159 ASP QB 4.57 (#peak 3966)
&rst
ixpk= 3966, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2305,2306,2307,
igr2=2331,2332,
&end
#
# 157 VAL QG2 160 ALA HA 3.10 (#peak 2631)
&rst
ixpk= 2631, nxpk= 0, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=2305,2306,2307,
&end
#
# 157 VAL QG2 160 ALA QB 3.22 (#peak 2558)
&rst
ixpk= 2558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2305,2306,2307,
igr2=2343,2344,2345,
&end
#
# 157 VAL QG2 161 HIS HN 4.75 (#peak 2655)
&rst
ixpk= 2655, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2305,2306,2307,
&end
#
# 157 VAL QG2 161 HIS HD2 4.58 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2305,2306,2307,
&end
#
# 158 VAL HN 158 VAL HB 3.37 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat=2311,2315, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 158 VAL HN 158 VAL QQG 2.89 (#peak 2843)
&rst
ixpk= 2843, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2317,2318,2319,2321,2322,2323,
&end
#
# 158 VAL HN 159 ASP HN 3.54 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat=2311,2327, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 158 VAL HN 159 ASP QB 5.35 (#peak 504)
&rst
ixpk= 504, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=2331,2332,
&end
#
# 158 VAL HA 158 VAL QQG 2.75 (#peak 2871)
&rst
ixpk= 2871, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=2317,2318,2319,2321,2322,2323,
&end
#
# 158 VAL HB 159 ASP HN 3.36 (#peak 1064)
&rst
ixpk= 1064, nxpk= 0, iat=2315,2327, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 158 VAL HB 159 ASP HA 5.90 (#peak 1770)
&rst
ixpk= 1770, nxpk= 0, iat=2315,2329, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 158 VAL HB 159 ASP QB 4.90 (#peak 3949)
&rst
ixpk= 3949, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2331,2332,
&end
#
# 158 VAL QQG 159 ASP HN 3.42 (#peak 2948)
&rst
ixpk= 2948, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2317,2318,2319,2321,2322,2323,
&end
#
# 158 VAL QQG 159 ASP HA 4.12 (#peak 1346)
&rst
ixpk= 1346, nxpk= 0, iat= -1,2329, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2317,2318,2319,2321,2322,2323,
&end
#
# 158 VAL QQG 159 ASP QB 3.98 (#peak 3952)
&rst
ixpk= 3952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2317,2318,2319,2321,2322,2323,
igr2=2331,2332,
&end
#
# 159 ASP HN 159 ASP QB 3.41 (#peak 3947)
&rst
ixpk= 3947, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2331,2332,
&end
#
# 159 ASP HN 160 ALA HN 5.01 (#peak 500)
&rst
ixpk= 500, nxpk= 0, iat=2327,2339, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 159 ASP HN 160 ALA HA 5.06 (#peak 1858)
&rst
ixpk= 1858, nxpk= 0, iat=2327,2341, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 159 ASP HN 160 ALA QB 5.26 (#peak 1065)
&rst
ixpk= 1065, nxpk= 0, iat=2327, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2343,2344,2345,
&end
#
# 159 ASP HA 160 ALA HN 3.16 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat=2329,2339, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 159 ASP HA 160 ALA QB 4.47 (#peak 1345)
&rst
ixpk= 1345, nxpk= 0, iat=2329, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2343,2344,2345,
&end
#
# 159 ASP QB 160 ALA HN 4.25 (#peak 3200)
&rst
ixpk= 3200, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2331,2332,
&end
#
# 160 ALA HN 160 ALA QB 3.04 (#peak 2552)
&rst
ixpk= 2552, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2343,2344,2345,
&end
#
# 160 ALA HN 161 HIS HN 5.38 (#peak 90)
&rst
ixpk= 90, nxpk= 0, iat=2339,2349, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 160 ALA HA 161 HIS HN 3.27 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat=2341,2349, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 160 ALA HA 161 HIS HD2 3.59 (#peak 1859)
&rst
ixpk= 1859, nxpk= 0, iat=2341,2362, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 160 ALA QB 161 HIS HN 3.28 (#peak 2550)
&rst
ixpk= 2550, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2343,2344,2345,
&end
#
# 160 ALA QB 161 HIS HA 3.95 (#peak 1774)
&rst
ixpk= 1774, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2343,2344,2345,
&end
#
# 160 ALA QB 161 HIS HD2 4.61 (#peak 2528)
&rst
ixpk= 2528, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2343,2344,2345,
&end
#
# 161 HIS HN 161 HIS HD2 3.91 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat=2349,2362, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 161 HIS HN 162 VAL HN 5.35 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat=2349,2366, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 161 HIS HN 163 TYR QE 5.71 (#peak 1494)
&rst
ixpk= 1494, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2392,2397,
&end
#
# 161 HIS HA 161 HIS HD2 4.12 (#peak 1117)
&rst
ixpk= 1117, nxpk= 0, iat=2351,2362, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 161 HIS HA 161 HIS HE1 5.90 (#peak 17)
&rst
ixpk= 17, nxpk= 0, iat=2351,2359, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 161 HIS HA 162 VAL HN 3.20 (#peak 394)
&rst
ixpk= 394, nxpk= 0, iat=2351,2366, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 161 HIS HA 162 VAL HA 4.67 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat=2351,2368, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 161 HIS HA 162 VAL QG1 5.57 (#peak 1781)
&rst
ixpk= 1781, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=2372,2373,2374,
&end
#
# 161 HIS HA 162 VAL QG2 3.91 (#peak 4533)
&rst
ixpk= 4533, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2376,2377,2378,
&end
#
# 161 HIS HB2 162 VAL HN 4.41 (#peak 1111)
&rst
ixpk= 1111, nxpk= 0, iat=2353,2366, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 161 HIS HB2 163 TYR QE 4.58 (#peak 1510)
&rst
ixpk= 1510, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2392,2397,
&end
#
# 161 HIS HB3 162 VAL HN 4.70 (#peak 5343)
&rst
ixpk= 5343, nxpk= 0, iat=2354,2366, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 161 HIS HB3 162 VAL QG2 5.31 (#peak 3111)
&rst
ixpk= 3111, nxpk= 0, iat=2354, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2376,2377,2378,
&end
#
# 161 HIS HB3 163 TYR QE 4.57 (#peak 1511)
&rst
ixpk= 1511, nxpk= 0, iat=2354, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2392,2397,
&end
#
# 161 HIS HD2 163 TYR QE 5.08 (#peak 4857)
&rst
ixpk= 4857, nxpk= 0, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2392,2397,
&end
#
# 162 VAL HN 162 VAL QG1 4.18 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2372,2373,2374,
&end
#
# 162 VAL HN 162 VAL QG2 3.24 (#peak 3191)
&rst
ixpk= 3191, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2376,2377,2378,
&end
#
# 162 VAL HN 163 TYR QD 5.33 (#peak 1101)
&rst
ixpk= 1101, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2390,2399,
&end
#
# 162 VAL HN 163 TYR QE 5.68 (#peak 1100)
&rst
ixpk= 1100, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2392,2397,
&end
#
# 162 VAL HA 162 VAL QG1 3.19 (#peak 2925)
&rst
ixpk= 2925, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2372,2373,2374,
&end
#
# 162 VAL HA 162 VAL QG2 3.56 (#peak 3193)
&rst
ixpk= 3193, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2376,2377,2378,
&end
#
# 162 VAL HA 163 TYR QD 3.81 (#peak 1978)
&rst
ixpk= 1978, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2390,2399,
&end
#
# 162 VAL HA 163 TYR QE 5.70 (#peak 1979)
&rst
ixpk= 1979, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2392,2397,
&end
#
# 162 VAL HB 163 TYR HN 4.15 (#peak 314)
&rst
ixpk= 314, nxpk= 0, iat=2370,2382, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 162 VAL QG1 163 TYR HN 3.68 (#peak 316)
&rst
ixpk= 316, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=2372,2373,2374,
&end
#
# 162 VAL QG1 163 TYR QD 4.69 (#peak 1330)
&rst
ixpk= 1330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2372,2373,2374,
igr2=2390,2399,
&end
#
# 162 VAL QG1 164 PRO HD3 4.12 (#peak 2962)
&rst
ixpk= 2962, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2372,2373,2374,
&end
#
# 162 VAL QG2 163 TYR HA 5.76 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2376,2377,2378,
&end
#
# 162 VAL QG2 164 PRO HD3 4.80 (#peak 3133)
&rst
ixpk= 3133, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2376,2377,2378,
&end
#
# 163 TYR HN 163 TYR QD 3.73 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2390,2399,
&end
#
# 163 TYR HN 163 TYR QE 5.59 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2392,2397,
&end
#
# 163 TYR HN 164 PRO HD3 5.90 (#peak 564)
&rst
ixpk= 564, nxpk= 0, iat=2382,2405, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 163 TYR HA 163 TYR QD 3.93 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2390,2399,
&end
#
# 163 TYR HA 163 TYR QE 5.07 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2392,2397,
&end
#
# 163 TYR HA 164 PRO HD2 3.43 (#peak 1802)
&rst
ixpk= 1802, nxpk= 0, iat=2384,2404, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 163 TYR HA 164 PRO HD3 3.50 (#peak 5451)
&rst
ixpk= 5451, nxpk= 0, iat=2384,2405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 163 TYR HA 164 PRO HG2 4.81 (#peak 719)
&rst
ixpk= 719, nxpk= 0, iat=2384,2407, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 163 TYR HA 164 PRO HG3 5.20 (#peak 767)
&rst
ixpk= 767, nxpk= 0, iat=2384,2408, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 163 TYR HA 165 LYS QG 5.36 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2424,2425,
&end
#
# 163 TYR HB2 164 PRO HD2 5.01 (#peak 4306)
&rst
ixpk= 4306, nxpk= 0, iat=2386,2404, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 163 TYR HB3 164 PRO HD2 4.69 (#peak 1803)
&rst
ixpk= 1803, nxpk= 0, iat=2387,2404, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 163 TYR HB3 164 PRO HD3 4.99 (#peak 1816)
&rst
ixpk= 1816, nxpk= 0, iat=2387,2405, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 163 TYR QD 164 PRO HD2 4.91 (#peak 1801)
&rst
ixpk= 1801, nxpk= 0, iat= -1,2404, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2390,2399,
&end
#
# 163 TYR QD 164 PRO HD3 5.22 (#peak 1813)
&rst
ixpk= 1813, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2390,2399,
&end
#
# 164 PRO HA 165 LYS HN 3.16 (#peak 4536)
&rst
ixpk= 4536, nxpk= 0, iat=2413,2417, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 164 PRO HA 165 LYS QG 4.93 (#peak 2197)
&rst
ixpk= 2197, nxpk= 0, iat=2413, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2424,2425,
&end
#
# 164 PRO HB2 165 LYS HN 4.31 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=2410,2417, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 164 PRO HB3 165 LYS HN 4.40 (#peak 435)
&rst
ixpk= 435, nxpk= 0, iat=2411,2417, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 165 LYS HN 165 LYS HB3 3.94 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat=2417,2422, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 165 LYS HN 165 LYS QE 4.83 (#peak 3977)
&rst
ixpk= 3977, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2430,2431,
&end
#
# 165 LYS HN 165 LYS QG 3.89 (#peak 2223)
&rst
ixpk= 2223, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2424,2425,
&end
#
# 165 LYS HA 165 LYS QD 4.33 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2427,2428,
&end
#
# 165 LYS HA 165 LYS QE 5.12 (#peak 640)
&rst
ixpk= 640, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2430,2431,
&end
#
# 165 LYS HA 165 LYS QG 3.79 (#peak 659)
&rst
ixpk= 659, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2424,2425,
&end
#
# 165 LYS HA 166 ASN HN 3.55 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat=2419,2439, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 165 LYS HB2 165 LYS QE 4.53 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2430,2431,
&end
#
# 165 LYS HB2 166 ASN HN 4.55 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat=2421,2439, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 165 LYS HB3 165 LYS QE 4.45 (#peak 91)
&rst
ixpk= 91, nxpk= 0, iat=2422, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2430,2431,
&end
#
# 165 LYS HB3 166 ASN HN 3.99 (#peak 3636)
&rst
ixpk= 3636, nxpk= 0, iat=2422,2439, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 165 LYS QG 165 LYS QE 3.32 (#peak 2241)
&rst
ixpk= 2241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2424,2425,
igr2=2430,2431,
&end
#
# 165 LYS QG 166 ASN HN 4.78 (#peak 886)
&rst
ixpk= 886, nxpk= 0, iat= -1,2439, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2424,2425,
&end
#
# 166 ASN HN 166 ASN HD21 5.90 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat=2439,2448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 166 ASN HN 166 ASN HD22 5.87 (#peak 377)
&rst
ixpk= 377, nxpk= 0, iat=2439,2449, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 166 ASN HN 167 THR HN 5.90 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat=2439,2453, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 166 ASN HA 166 ASN HD21 5.08 (#peak 1846)
&rst
ixpk= 1846, nxpk= 0, iat=2441,2448, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 166 ASN HA 166 ASN HD22 5.55 (#peak 1157)
&rst
ixpk= 1157, nxpk= 0, iat=2441,2449, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 166 ASN HA 167 THR QG2 4.12 (#peak 1840)
&rst
ixpk= 1840, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2459,2460,2461,
&end
#
# 166 ASN HB2 166 ASN HD21 3.68 (#peak 3054)
&rst
ixpk= 3054, nxpk= 0, iat=2443,2448, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 166 ASN HB3 166 ASN HD21 3.65 (#peak 4388)
&rst
ixpk= 4388, nxpk= 0, iat=2444,2448, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 167 THR HN 167 THR QG2 3.75 (#peak 2864)
&rst
ixpk= 2864, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2459,2460,2461,
&end
#
# 167 THR HN 168 GLU HN 5.88 (#peak 1230)
&rst
ixpk= 1230, nxpk= 0, iat=2453,2467, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 167 THR HA 167 THR QG2 3.26 (#peak 4832)
&rst
ixpk= 4832, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2459,2460,2461,
&end
#
# 167 THR HB 168 GLU HN 4.07 (#peak 2676)
&rst
ixpk= 2676, nxpk= 0, iat=2457,2467, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 167 THR QG2 168 GLU HN 3.63 (#peak 2863)
&rst
ixpk= 2863, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=2459,2460,2461,
&end
#
# 167 THR QG2 168 GLU QG 4.94 (#peak 5106)
&rst
ixpk= 5106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2459,2460,2461,
igr2=2474,2475,
&end
#
# 167 THR QG2 169 ALA HN 5.90 (#peak 206)
&rst
ixpk= 206, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2459,2460,2461,
&end
#
# 168 GLU HN 168 GLU HB3 3.81 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat=2467,2472, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 168 GLU HN 168 GLU QG 4.26 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2474,2475,
&end
#
# 168 GLU HA 168 GLU QG 3.51 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat=2469, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2474,2475,
&end
#
# 168 GLU HA 169 ALA HN 3.56 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat=2469,2482, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 168 GLU HA 169 ALA QB 5.25 (#peak 453)
&rst
ixpk= 453, nxpk= 0, iat=2469, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2486,2487,2488,
&end
#
# 168 GLU HB2 169 ALA HN 4.57 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat=2471,2482, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 168 GLU HB3 168 GLU QG 2.95 (#peak 832)
&rst
ixpk= 832, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=2474,2475,
&end
#
# 168 GLU QG 169 ALA HN 4.99 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2474,2475,
&end
#
# 168 GLU QG 169 ALA HA 4.37 (#peak 5024)
&rst
ixpk= 5024, nxpk= 0, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2474,2475,
&end
#
# 168 GLU QG 169 ALA QB 4.44 (#peak 5107)
&rst
ixpk= 5107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2474,2475,
igr2=2486,2487,2488,
&end
#
# 169 ALA HN 169 ALA QB 3.58 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2486,2487,2488,
&end
#
# 169 ALA HA 170 LYS QG 4.93 (#peak 2156)
&rst
ixpk= 2156, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2499,2500,
&end
#
# 169 ALA QB 170 LYS HN 3.45 (#peak 3508)
&rst
ixpk= 3508, nxpk= 0, iat= -1,2492, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=2486,2487,2488,
&end
#
# 170 LYS HN 170 LYS HB3 3.66 (#peak 3696)
&rst
ixpk= 3696, nxpk= 0, iat=2492,2497, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 170 LYS HN 170 LYS QE 5.85 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat=2492, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2505,2506,
&end
#
# 170 LYS HA 170 LYS QE 5.90 (#peak 3861)
&rst
ixpk= 3861, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2505,2506,
&end
#
# 170 LYS HA 170 LYS QG 3.84 (#peak 2240)
&rst
ixpk= 2240, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2499,2500,
&end
#
# 170 LYS HA 171 PRO HA 4.64 (#peak 4490)
&rst
ixpk= 4490, nxpk= 0, iat=2494,2524, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 170 LYS HA 171 PRO HB3 5.83 (#peak 511)
&rst
ixpk= 511, nxpk= 0, iat=2494,2522, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 170 LYS HA 171 PRO HD2 2.66 (#peak 1762)
&rst
ixpk= 1762, nxpk= 0, iat=2494,2515, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 170 LYS HA 171 PRO HD3 2.83 (#peak 972)
&rst
ixpk= 972, nxpk= 0, iat=2494,2516, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 170 LYS HA 171 PRO QG 4.47 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2518,2519,
&end
#
# 170 LYS HB2 171 PRO HD3 3.55 (#peak 2719)
&rst
ixpk= 2719, nxpk= 0, iat=2496,2516, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 170 LYS HB3 170 LYS QE 4.53 (#peak 391)
&rst
ixpk= 391, nxpk= 0, iat=2497, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2505,2506,
&end
#
# 170 LYS HB3 171 PRO HD2 5.28 (#peak 2643)
&rst
ixpk= 2643, nxpk= 0, iat=2497,2515, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 170 LYS HB3 171 PRO HD3 4.68 (#peak 390)
&rst
ixpk= 390, nxpk= 0, iat=2497,2516, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 170 LYS QD 171 PRO HD3 5.44 (#peak 1268)
&rst
ixpk= 1268, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2502,2503,
&end
#
# 170 LYS QE 171 PRO QG 5.90 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=2505,2506,
igr2=2518,2519,
&end
#
# 170 LYS QG 170 LYS QE 3.36 (#peak 2201)
&rst
ixpk= 2201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=2499,2500,
igr2=2505,2506,
&end
#
# 170 LYS QG 171 PRO HD3 5.66 (#peak 2174)
&rst
ixpk= 2174, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2499,2500,
&end
#
# 171 PRO HA 172 LYS HN 3.05 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat=2524,2528, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 171 PRO HA 173 ILE QD1 4.29 (#peak 4997)
&rst
ixpk= 4997, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2563,2564,2565,
&end
#
# 171 PRO HB2 172 LYS HN 4.13 (#peak 3344)
&rst
ixpk= 3344, nxpk= 0, iat=2521,2528, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 171 PRO HB2 172 LYS HA 4.53 (#peak 2355)
&rst
ixpk= 2355, nxpk= 0, iat=2521,2530, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 171 PRO HB2 174 LEU HN 4.11 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat=2521,2569, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 171 PRO HB2 174 LEU QD1 4.35 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat=2521, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2578,2579,2580,
&end
#
# 171 PRO HB3 173 ILE QD1 4.35 (#peak 492)
&rst
ixpk= 492, nxpk= 0, iat=2522, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2563,2564,2565,
&end
#
# 171 PRO HD3 174 LEU QD1 5.07 (#peak 1791)
&rst
ixpk= 1791, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2578,2579,2580,
&end
#
# 172 LYS HN 172 LYS HG3 4.51 (#peak 2139)
&rst
ixpk= 2139, nxpk= 0, iat=2528,2536, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 172 LYS HN 172 LYS QB 3.44 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2532,2533,
&end
#
# 172 LYS HN 172 LYS QD 4.52 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2538,2539,
&end
#
# 172 LYS HN 172 LYS QE 4.55 (#peak 465)
&rst
ixpk= 465, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2541,2542,
&end
#
# 172 LYS HN 173 ILE HN 5.57 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat=2528,2550, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 172 LYS HN 173 ILE QD1 5.69 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=2563,2564,2565,
&end
#
# 172 LYS HA 172 LYS QE 5.90 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat=2530, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2541,2542,
&end
#
# 172 LYS HG2 172 LYS QD 2.44 (#peak 1182)
&rst
ixpk= 1182, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr2=2538,2539,
&end
#
# 172 LYS HG3 173 ILE QD1 5.03 (#peak 2142)
&rst
ixpk= 2142, nxpk= 0, iat=2536, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2563,2564,2565,
&end
#
# 172 LYS QD 172 LYS QE 2.66 (#peak 1249)
&rst
ixpk= 1249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1=2538,2539,
igr2=2541,2542,
&end
#
# 172 LYS QE 173 ILE HN 5.16 (#peak 510)
&rst
ixpk= 510, nxpk= 0, iat= -1,2550, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2541,2542,
&end
#
# 172 LYS QE 173 ILE QD1 4.58 (#peak 2952)
&rst
ixpk= 2952, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2541,2542,
igr2=2563,2564,2565,
&end
#
# 173 ILE HN 173 ILE HG12 4.23 (#peak 1644)
&rst
ixpk= 1644, nxpk= 0, iat=2550,2560, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 173 ILE HN 173 ILE HG13 4.83 (#peak 512)
&rst
ixpk= 512, nxpk= 0, iat=2550,2561, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 173 ILE HN 173 ILE QD1 3.62 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat=2550, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2563,2564,2565,
&end
#
# 173 ILE HN 174 LEU HN 5.22 (#peak 84)
&rst
ixpk= 84, nxpk= 0, iat=2550,2569, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 173 ILE HA 173 ILE QD1 4.95 (#peak 4998)
&rst
ixpk= 4998, nxpk= 0, iat=2552, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2563,2564,2565,
&end
#
# 173 ILE HA 173 ILE QG2 3.29 (#peak 4949)
&rst
ixpk= 4949, nxpk= 0, iat=2552, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2556,2557,2558,
&end
#
# 173 ILE HA 174 LEU HN 3.56 (#peak 4984)
&rst
ixpk= 4984, nxpk= 0, iat=2552,2569, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 173 ILE HB 173 ILE QD1 3.97 (#peak 5012)
&rst
ixpk= 5012, nxpk= 0, iat=2554, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2563,2564,2565,
&end
#
# 173 ILE HB 174 LEU HN 4.56 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat=2554,2569, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 173 ILE HG13 174 LEU HN 5.82 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat=2561,2569, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 173 ILE QD1 174 LEU HN 4.14 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2563,2564,2565,
&end
#
# 173 ILE QG2 173 ILE HG12 3.86 (#peak 4030)
&rst
ixpk= 4030, nxpk= 0, iat= -1,2560, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2556,2557,2558,
&end
#
# 173 ILE QG2 173 ILE HG13 3.28 (#peak 4031)
&rst
ixpk= 4031, nxpk= 0, iat= -1,2561, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2556,2557,2558,
&end
#
# 174 LEU HN 174 LEU HB2 3.43 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat=2569,2573, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 174 LEU HN 174 LEU HG 4.44 (#peak 1696)
&rst
ixpk= 1696, nxpk= 0, iat=2569,2576, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 174 LEU HA 174 LEU QD2 3.27 (#peak 2290)
&rst
ixpk= 2290, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2582,2583,2584,
&end
#
# 174 LEU HA 175 GLU HN 2.78 (#peak 586)
&rst
ixpk= 586, nxpk= 0, iat=2571,2588, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 174 LEU HB2 174 LEU QD1 3.18 (#peak 2208)
&rst
ixpk= 2208, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2578,2579,2580,
&end
#
# 174 LEU HB2 174 LEU QD2 4.00 (#peak 3839)
&rst
ixpk= 3839, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2582,2583,2584,
&end
#
# 174 LEU HB3 174 LEU QD1 4.18 (#peak 3706)
&rst
ixpk= 3706, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2578,2579,2580,
&end
#
# 174 LEU HB3 174 LEU QD2 3.18 (#peak 4335)
&rst
ixpk= 4335, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2582,2583,2584,
&end
#
# 174 LEU HB3 175 GLU HN 4.21 (#peak 518)
&rst
ixpk= 518, nxpk= 0, iat=2574,2588, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 174 LEU QD1 175 GLU HN 5.48 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2578,2579,2580,
&end
#
# 175 GLU HN 175 GLU HB3 3.37 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat=2588,2593, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 175 GLU HN 175 GLU HG2 4.59 (#peak 5112)
&rst
ixpk= 5112, nxpk= 0, iat=2588,2595, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 175 GLU HA 175 GLU HG2 4.24 (#peak 5081)
&rst
ixpk= 5081, nxpk= 0, iat=2590,2595, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
# 2704 atoms read from pdb file ./prm_2.pdb.
Contact the webmaster for help, if required. Monday, May 6, 2024 9:01:33 PM GMT (wattos1)