NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
616708 |
5h7u   |
36034 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 4 GLU- HN 4 GLU- HB2 3.84 (#peak 282 #SUP 0.99 #QF 0.99)
&rst
ixpk= 282, nxpk= 0, iat= 41, 45, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 4 GLU- HN 4 GLU- HB3 3.84 (#peak 283 #SUP 0.67 #QF 0.67)
&rst
ixpk= 283, nxpk= 0, iat= 41, 46, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 4 GLU- HN 4 GLU- QG 3.79 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 48, 49,
&end
#
# 5 LEU HA 5 LEU QQD 3.95 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 65, 66, 67, 69, 70, 71,
&end
#
# 13 PHE QB 14 PHE HN 4.23 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 169, 170,
&end
#
# 14 PHE HN 14 PHE QB 3.66 (#peak 990)
&rst
ixpk= 990, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 189, 190,
&end
#
# 23 ALA HA 24 ASP- HN 3.34 (#peak 395 #SUP 0.81 #QF 0.81)
&rst
ixpk= 395, nxpk= 0, iat= 314, 322, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 23 ALA HN 23 ALA QB 3.25 (#peak 192 #SUP 1.00)
&rst
ixpk= 192, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 316, 317, 318,
&end
#
# 25 VAL HB 26 ASP- HN 4.43 (#peak 79 #SUP 0.97 #QF 0.97)
&rst
ixpk= 79, nxpk= 0, iat= 338, 350, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 25 VAL HN 25 VAL HB 3.87 (#peak 85 #SUP 0.94 #QF 0.94)
&rst
ixpk= 85, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 25 VAL HN 26 ASP- HN 4.73 (#peak 83 #SUP 1.00)
&rst
ixpk= 83, nxpk= 0, iat= 334, 350, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 ASP- HN 26 ASP- QB 3.59 (#peak 80)
&rst
ixpk= 80, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 354, 355,
&end
#
# 32 ALA HA 33 LYS+ HN 3.34 (#peak 399 #SUP 0.86 #QF 0.86)
&rst
ixpk= 399, nxpk= 0, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 32 ALA HN 32 ALA QB 3.34 (#peak 397 #SUP 0.98 #QF 0.98)
&rst
ixpk= 397, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 424, 425, 426,
&end
#
# 32 ALA QB 33 LYS+ HN 4.00 (#peak 524 #SUP 0.99 #QF 0.98)
&rst
ixpk= 524, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 424, 425, 426,
&end
#
# 33 LYS+ HA 34 PRO HD2 4.10 (#peak 561 #SUP 0.99 #QF 0.99)
&rst
ixpk= 561, nxpk= 0, iat= 432, 453, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 LYS+ HA 34 PRO HD3 4.10 (#peak 562 #SUP 0.99 #QF 0.99)
&rst
ixpk= 562, nxpk= 0, iat= 432, 454, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 LYS+ HG2 33 LYS+ QE 4.20 (#peak 1015 #SUP 1.00 #QF 0.65)
&rst
ixpk= 1015, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 443, 444,
&end
#
# 33 LYS+ HG3 33 LYS+ QE 4.20 (#peak 1014 #SUP 1.00 #QF 0.55)
&rst
ixpk= 1014, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 443, 444,
&end
#
# 33 LYS+ HN 33 LYS+ QB 3.08 (#peak 862 #SUP 0.86 #QF 0.86)
&rst
ixpk= 862, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 434, 435,
&end
#
# 33 LYS+ HN 33 LYS+ QG 4.48 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 437, 438,
&end
#
# 33 LYS+ QB 34 PRO HD2 4.39 (#peak 859 #SUP 0.98 #QF 0.98)
&rst
ixpk= 859, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 434, 435,
&end
#
# 33 LYS+ QB 34 PRO HD3 4.39 (#peak 560 #SUP 0.92 #QF 0.92)
&rst
ixpk= 560, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 434, 435,
&end
#
# 33 LYS+ QD 34 PRO QD 5.05 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 440, 441,
igr2= 453, 454,
&end
#
# 34 PRO HA 34 PRO QG 3.58 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 456, 457,
&end
#
# 34 PRO QB 35 TYR HN 3.80 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 459, 460,
&end
#
# 34 PRO QB 35 TYR QD 4.30 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 459, 460,
igr2= 474, 483,
&end
#
# 34 PRO QB 35 TYR QE 3.57 (#peak 326)
&rst
ixpk= 326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 459, 460,
igr2= 476, 481,
&end
#
# 34 PRO QD 34 PRO QB 3.59 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 453, 454,
igr2= 459, 460,
&end
#
# 34 PRO QD 34 PRO QG 2.68 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 453, 454,
igr2= 456, 457,
&end
#
# 34 PRO QD 35 TYR HN 3.57 (#peak 354)
&rst
ixpk= 354, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 453, 454,
&end
#
# 34 PRO QG 35 TYR HN 4.69 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 456, 457,
&end
#
# 34 PRO QG 35 TYR QE 4.22 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 456, 457,
igr2= 476, 481,
&end
#
# 35 TYR HA 35 TYR QD 4.49 (#peak 323 #SUP 0.99 #QF 0.99)
&rst
ixpk= 323, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 474, 483,
&end
#
# 35 TYR HN 35 TYR QD 3.81 (#peak 168 #SUP 0.81 #QF 0.81)
&rst
ixpk= 168, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 474, 483,
&end
#
# 35 TYR HN 36 GLY HN 4.48 (#peak 167 #SUP 0.95 #QF 0.95)
&rst
ixpk= 167, nxpk= 0, iat= 466, 487, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 36 GLY HN 37 PRO QD 4.34 (#peak 162 #SUP 0.91 #QF 0.91)
&rst
ixpk= 162, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 495, 496,
&end
#
# 36 GLY QA 37 PRO QD 3.91 (#peak 865)
&rst
ixpk= 865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 489, 490,
igr2= 495, 496,
&end
#
# 37 PRO HA 37 PRO HG2 4.10 (#peak 873 #SUP 0.99 #QF 0.99)
&rst
ixpk= 873, nxpk= 0, iat= 504, 498, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 37 PRO HA 37 PRO HG3 4.10 (#peak 874 #SUP 0.99 #QF 0.99)
&rst
ixpk= 874, nxpk= 0, iat= 504, 499, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 37 PRO HB2 38 ASP- HN 4.19 (#peak 360 #SUP 0.80 #QF 0.80)
&rst
ixpk= 360, nxpk= 0, iat= 501, 508, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 37 PRO HB3 38 ASP- HN 4.19 (#peak 361 #SUP 0.94 #QF 0.94)
&rst
ixpk= 361, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 37 PRO QB 38 ASP- HN 3.45 (#peak 360)
&rst
ixpk= 360, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 501, 502,
&end
#
# 37 PRO QD 37 PRO HG2 3.45 (#peak 872 #SUP 0.82 #QF 0.82)
&rst
ixpk= 872, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 495, 496,
&end
#
# 37 PRO QD 37 PRO HG3 3.45 (#peak 871 #SUP 0.82 #QF 0.82)
&rst
ixpk= 871, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 495, 496,
&end
#
# 37 PRO QD 37 PRO QB 3.66 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 495, 496,
igr2= 501, 502,
&end
#
# 37 PRO QD 38 ASP- HN 5.12 (#peak 358 #SUP 0.98 #QF 0.98)
&rst
ixpk= 358, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 495, 496,
&end
#
# 38 ASP- HN 39 TRP HN 4.44 (#peak 359 #SUP 0.84 #QF 0.84)
&rst
ixpk= 359, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 38 ASP- QB 39 TRP HN 3.58 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 512, 513,
&end
#
# 39 TRP HA 39 TRP HD1 4.17 (#peak 965 #SUP 0.91 #QF 0.91)
&rst
ixpk= 965, nxpk= 0, iat= 522, 528, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 39 TRP HA 39 TRP HE3 5.50 (#peak 21 #SUP 0.96 #QF 0.96)
&rst
ixpk= 21, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 TRP HB2 39 TRP HE3 3.71 (#peak 967 #SUP 0.92 #QF 0.92)
&rst
ixpk= 967, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 39 TRP HB3 39 TRP HE3 3.71 (#peak 968 #SUP 0.87 #QF 0.87)
&rst
ixpk= 968, nxpk= 0, iat= 525, 539, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 39 TRP HN 39 TRP HD1 4.31 (#peak 1 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1, nxpk= 0, iat= 520, 528, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 39 TRP HN 40 PHE HN 4.97 (#peak 2 #SUP 1.00)
&rst
ixpk= 2, nxpk= 0, iat= 520, 544, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 39 TRP QB 40 PHE HN 3.81 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 524, 525,
&end
#
# 40 PHE HA 40 PHE QD 3.92 (#peak 470 #SUP 1.00)
&rst
ixpk= 470, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 552, 560,
&end
#
# 40 PHE HN 40 PHE QB 3.50 (#peak 230)
&rst
ixpk= 230, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 548, 549,
&end
#
# 40 PHE HN 40 PHE QD 4.00 (#peak 225 #SUP 0.91 #QF 0.91)
&rst
ixpk= 225, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 552, 560,
&end
#
# 40 PHE HN 41 LYS+ HN 5.46 (#peak 226 #SUP 0.97 #QF 0.92)
&rst
ixpk= 226, nxpk= 0, iat= 544, 564, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 40 PHE QB 41 LYS+ HN 4.02 (#peak 529)
&rst
ixpk= 529, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 548, 549,
&end
#
# 41 LYS+ HA 41 LYS+ QG 3.47 (#peak 875)
&rst
ixpk= 875, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 571, 572,
&end
#
# 41 LYS+ HN 41 LYS+ QG 3.39 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 571, 572,
&end
#
# 47 LYS+ HA 47 LYS+ QG 3.70 (#peak 1017)
&rst
ixpk= 1017, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 685, 686,
&end
#
# 47 LYS+ HN 47 LYS+ HG2 3.98 (#peak 877 #SUP 0.63 #QF 0.63)
&rst
ixpk= 877, nxpk= 0, iat= 678, 685, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 47 LYS+ HN 47 LYS+ HG3 3.98 (#peak 93 #SUP 0.28 #QF 0.28)
&rst
ixpk= 93, nxpk= 0, iat= 678, 686, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 47 LYS+ HN 47 LYS+ QG 3.25 (#peak 877)
&rst
ixpk= 877, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 685, 686,
&end
#
# 55 PHE HN 55 PHE HB2 3.96 (#peak 232 #SUP 0.99 #QF 0.99)
&rst
ixpk= 232, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 55 PHE HN 55 PHE HB3 3.96 (#peak 233 #SUP 0.91 #QF 0.91)
&rst
ixpk= 233, nxpk= 0, iat= 785, 790, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 55 PHE HN 55 PHE QB 3.36 (#peak 233)
&rst
ixpk= 233, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 789, 790,
&end
#
# 55 PHE HN 55 PHE QD 5.50 (#peak 236 #SUP 1.00)
&rst
ixpk= 236, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 793, 801,
&end
#
# 55 PHE HN 56 LEU HN 4.97 (#peak 110 #SUP 0.99 #QF 0.99)
&rst
ixpk= 110, nxpk= 0, iat= 785, 805, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 55 PHE QB 56 LEU HN 3.71 (#peak 106)
&rst
ixpk= 106, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 789, 790,
&end
#
# 56 LEU HA 56 LEU HG 3.97 (#peak 201 #SUP 0.60 #QF 0.60)
&rst
ixpk= 201, nxpk= 0, iat= 807, 812, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 56 LEU HA 56 LEU QQD 3.95 (#peak 197)
&rst
ixpk= 197, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 814, 815, 816, 818, 819, 820,
&end
#
# 56 LEU HN 56 LEU QQD 4.39 (#peak 105)
&rst
ixpk= 105, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 814, 815, 816, 818, 819, 820,
&end
#
# 56 LEU HN 57 LYS+ HN 3.44 (#peak 512 #SUP 0.40 #QF 0.40)
&rst
ixpk= 512, nxpk= 0, iat= 805, 824, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 61 TYR HA 61 TYR QD 4.80 (#peak 329 #SUP 0.83 #QF 0.83)
&rst
ixpk= 329, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 890, 899,
&end
#
# 62 ASP- HN 62 ASP- QB 3.42 (#peak 250)
&rst
ixpk= 250, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 907, 908,
&end
#
# 66 GLU- HA 67 GLU- HN 3.46 (#peak 532 #SUP 0.97 #QF 0.64)
&rst
ixpk= 532, nxpk= 0, iat= 951, 964, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 66 GLU- HN 66 GLU- HB2 3.51 (#peak 535 #SUP 0.73 #QF 0.73)
&rst
ixpk= 535, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 66 GLU- HN 66 GLU- HB3 3.51 (#peak 536 #SUP 0.92 #QF 0.92)
&rst
ixpk= 536, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 66 GLU- HN 66 GLU- QB 3.03 (#peak 535)
&rst
ixpk= 535, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 953, 954,
&end
#
# 70 GLU- HA 71 GLU- HN 3.32 (#peak 335 #SUP 0.89 #QF 0.72)
&rst
ixpk= 335, nxpk= 0, iat=1004,1017, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 70 GLU- HN 70 GLU- QG 3.68 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1009,1010,
&end
#
# 70 GLU- QB 71 GLU- HN 4.21 (#peak 531)
&rst
ixpk= 531, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1006,1007,
&end
#
# 70 GLU- QG 71 GLU- HN 4.11 (#peak 334)
&rst
ixpk= 334, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1009,1010,
&end
#
# 71 GLU- HN 71 GLU- QB 3.19 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1021,1022,
&end
#
# 72 ASP- HA 105 LEU HB2 4.33 (#peak 255 #SUP 0.98 #QF 0.98)
&rst
ixpk= 255, nxpk= 0, iat=1034,1562, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 72 ASP- HA 105 LEU HB3 4.32 (#peak 256 #SUP 0.93 #QF 0.93)
&rst
ixpk= 256, nxpk= 0, iat=1034,1563, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 72 ASP- HA 105 LEU HN 4.09 (#peak 139 #SUP 0.80 #QF 0.80)
&rst
ixpk= 139, nxpk= 0, iat=1034,1558, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 72 ASP- HA 105 LEU QQD 4.38 (#peak 955)
&rst
ixpk= 955, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1567,1568,1569,1571,1572,1573,
&end
#
# 72 ASP- HN 72 ASP- QB 3.68 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1036,1037,
&end
#
# 72 ASP- QB 105 LEU HB2 3.35 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1036,1037,
&end
#
# 72 ASP- QB 105 LEU HB3 3.83 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1036,1037,
&end
#
# 73 GLY HN 74 LYS+ HN 4.49 (#peak 367 #SUP 0.94 #QF 0.94)
&rst
ixpk= 367, nxpk= 0, iat=1044,1051, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 73 GLY QA 74 LYS+ HN 3.09 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1=1046,1047,
&end
#
# 74 LYS+ HN 75 LYS+ HA 5.31 (#peak 369 #SUP 0.69 #QF 0.69)
&rst
ixpk= 369, nxpk= 0, iat=1051,1075, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 74 LYS+ HN 75 LYS+ QB 5.50 (#peak 371 #SUP 0.92 #QF 0.92)
&rst
ixpk= 371, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1077,1078,
&end
#
# 74 LYS+ HN 75 LYS+ QG 4.60 (#peak 372)
&rst
ixpk= 372, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1080,1081,
&end
#
# 75 LYS+ HN 75 LYS+ QG 4.18 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1080,1081,
&end
#
# 75 LYS+ QB 76 VAL HN 3.59 (#peak 94 #SUP 0.56 #QF 0.56)
&rst
ixpk= 94, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1077,1078,
&end
#
# 76 VAL HA 77 VAL HN 3.50 (#peak 95 #SUP 0.99 #QF 0.84)
&rst
ixpk= 95, nxpk= 0, iat=1097,1111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 VAL HB 77 VAL HN 4.38 (#peak 165 #SUP 1.00 #QF 0.53)
&rst
ixpk= 165, nxpk= 0, iat=1099,1111, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 76 VAL HN 76 VAL HB 4.14 (#peak 90 #SUP 1.00)
&rst
ixpk= 90, nxpk= 0, iat=1095,1099, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 76 VAL HN 76 VAL QQG 3.92 (#peak 97)
&rst
ixpk= 97, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1101,1102,1103,1105,1106,1107,
&end
#
# 76 VAL HN 77 VAL HN 4.75 (#peak 88 #SUP 0.86 #QF 0.86)
&rst
ixpk= 88, nxpk= 0, iat=1095,1111, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 76 VAL QQG 77 VAL HN 4.31 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1101,1102,1103,1105,1106,1107,
&end
#
# 77 VAL HB 78 LYS+ HN 4.18 (#peak 376 #SUP 0.97 #QF 0.97)
&rst
ixpk= 376, nxpk= 0, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 77 VAL QQG 78 LYS+ HN 3.57 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1117,1118,1119,1121,1122,1123,
&end
#
# 78 LYS+ HA 78 LYS+ HG2 3.81 (#peak 1021 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1021, nxpk= 0, iat=1129,1134, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 78 LYS+ HA 78 LYS+ HG3 3.81 (#peak 1020 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1020, nxpk= 0, iat=1129,1135, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 78 LYS+ HA 78 LYS+ QD 4.53 (#peak 1022 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1022, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1137,1138,
&end
#
# 78 LYS+ HA 79 SER HN 3.46 (#peak 387 #SUP 1.00 #QF 0.54)
&rst
ixpk= 387, nxpk= 0, iat=1129,1149, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 78 LYS+ HN 78 LYS+ HB2 4.09 (#peak 567 #SUP 1.00)
&rst
ixpk= 567, nxpk= 0, iat=1127,1131, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 78 LYS+ HN 78 LYS+ HB3 4.09 (#peak 568 #SUP 0.97 #QF 0.97)
&rst
ixpk= 568, nxpk= 0, iat=1127,1132, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 78 LYS+ HN 78 LYS+ HG2 4.79 (#peak 550 #SUP 1.00)
&rst
ixpk= 550, nxpk= 0, iat=1127,1134, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 78 LYS+ HN 78 LYS+ HG3 4.79 (#peak 881 #SUP 0.94 #QF 0.45)
&rst
ixpk= 881, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 78 LYS+ HN 78 LYS+ QB 3.29 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1131,1132,
&end
#
# 78 LYS+ HN 78 LYS+ QE 4.75 (#peak 377 #SUP 0.99 #QF 0.99)
&rst
ixpk= 377, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1140,1141,
&end
#
# 78 LYS+ HN 78 LYS+ QG 3.95 (#peak 881)
&rst
ixpk= 881, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1134,1135,
&end
#
# 78 LYS+ HN 79 SER HN 4.16 (#peak 380 #SUP 0.99 #QF 0.99)
&rst
ixpk= 380, nxpk= 0, iat=1127,1149, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 78 LYS+ QB 78 LYS+ QE 2.68 (#peak 572)
&rst
ixpk= 572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1=1131,1132,
igr2=1140,1141,
&end
#
# 78 LYS+ QG 78 LYS+ QE 3.49 (#peak 878)
&rst
ixpk= 878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1134,1135,
igr2=1140,1141,
&end
#
# 79 SER HG 80 ALA HN 4.11 (#peak 202 #SUP 0.83 #QF 0.83)
&rst
ixpk= 202, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 79 SER HG 80 ALA QB 4.17 (#peak 407 #SUP 0.86 #QF 0.86)
&rst
ixpk= 407, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1164,1165,1166,
&end
#
# 79 SER HG 81 LYS+ HN 3.48 (#peak 397 #SUP 0.24 #QF 0.24)
&rst
ixpk= 397, nxpk= 0, iat=1156,1170, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 79 SER HN 82 GLU- HN 4.09 (#peak 388 #SUP 0.93 #QF 0.93)
&rst
ixpk= 388, nxpk= 0, iat=1149,1192, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 79 SER HN 82 GLU- QB 3.55 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1196,1197,
&end
#
# 80 ALA HA 121 ALA QB 4.17 (#peak 442 #SUP 0.59 #QF 0.59)
&rst
ixpk= 442, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1837,1838,1839,
&end
#
# 80 ALA HN 80 ALA QB 3.34 (#peak 402 #SUP 0.98 #QF 0.98)
&rst
ixpk= 402, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1164,1165,1166,
&end
#
# 80 ALA HN 81 LYS+ HN 3.64 (#peak 203 #SUP 0.87 #QF 0.87)
&rst
ixpk= 203, nxpk= 0, iat=1160,1170, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 80 ALA QB 120 ARG+ QB 3.34 (#peak 410 #SUP 0.51 #QF 0.51)
&rst
ixpk= 410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1164,1165,1166,
igr2=1813,1814,
&end
#
# 80 ALA QB 120 ARG+ QD 3.75 (#peak 409 #SUP 0.93 #QF 0.93)
&rst
ixpk= 409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1164,1165,1166,
igr2=1819,1820,
&end
#
# 80 ALA QB 121 ALA HA 3.34 (#peak 449 #SUP 0.96 #QF 0.96)
&rst
ixpk= 449, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1164,1165,1166,
&end
#
# 80 ALA QB 121 ALA HN 3.34 (#peak 404 #SUP 0.94 #QF 0.94)
&rst
ixpk= 404, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1164,1165,1166,
&end
#
# 80 ALA QB 121 ALA QB 3.34 (#peak 447 #SUP 0.98 #QF 0.98)
&rst
ixpk= 447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1164,1165,1166,
igr2=1837,1838,1839,
&end
#
# 80 ALA QB 126 TRP HZ2 3.34 (#peak 405 #SUP 0.26 #QF 0.26)
&rst
ixpk= 405, nxpk= 0, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1164,1165,1166,
&end
#
# 80 ALA QB 81 LYS+ HN 3.34 (#peak 403 #SUP 0.90 #QF 0.90)
&rst
ixpk= 403, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1164,1165,1166,
&end
#
# 81 LYS+ HA 121 ALA QB 3.54 (#peak 443 #SUP 0.90 #QF 0.87)
&rst
ixpk= 443, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1837,1838,1839,
&end
#
# 81 LYS+ HA 84 LEU HN 3.78 (#peak 634 #SUP 0.24 #QF 0.24)
&rst
ixpk= 634, nxpk= 0, iat=1172,1229, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 81 LYS+ HA 84 LEU QB 5.34 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1233,1234,
&end
#
# 81 LYS+ HA 84 LEU QQD 3.87 (#peak 945)
&rst
ixpk= 945, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1238,1239,1240,1242,1243,1244,
&end
#
# 81 LYS+ HA 95 ILE QG2 4.25 (#peak 124 #SUP 0.80 #QF 0.44)
&rst
ixpk= 124, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1419,1420,1421,
&end
#
# 81 LYS+ HB2 121 ALA QB 3.34 (#peak 446 #SUP 0.64 #QF 0.64)
&rst
ixpk= 446, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1837,1838,1839,
&end
#
# 81 LYS+ HB3 121 ALA QB 3.34 (#peak 445 #SUP 0.77 #QF 0.77)
&rst
ixpk= 445, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1837,1838,1839,
&end
#
# 81 LYS+ HN 81 LYS+ HB2 3.60 (#peak 393 #SUP 0.97 #QF 0.97)
&rst
ixpk= 393, nxpk= 0, iat=1170,1174, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 81 LYS+ HN 81 LYS+ HB3 3.60 (#peak 392 #SUP 0.93 #QF 0.93)
&rst
ixpk= 392, nxpk= 0, iat=1170,1175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 81 LYS+ HN 81 LYS+ QB 3.13 (#peak 392)
&rst
ixpk= 392, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1174,1175,
&end
#
# 81 LYS+ HN 81 LYS+ QG 4.29 (#peak 1039)
&rst
ixpk= 1039, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1177,1178,
&end
#
# 81 LYS+ HN 82 GLU- HN 3.94 (#peak 390 #SUP 0.92 #QF 0.92)
&rst
ixpk= 390, nxpk= 0, iat=1170,1192, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 81 LYS+ QG 104 TRP HZ2 5.34 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1177,1178,
&end
#
# 81 LYS+ QG 82 GLU- HN 5.10 (#peak 402)
&rst
ixpk= 402, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1177,1178,
&end
#
# 81 LYS+ QG 95 ILE HA 4.29 (#peak 1040)
&rst
ixpk= 1040, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1177,1178,
&end
#
# 81 LYS+ QG 95 ILE QG2 3.93 (#peak 120)
&rst
ixpk= 120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1177,1178,
igr2=1419,1420,1421,
&end
#
# 81 LYS+ QG 98 ALA QB 3.89 (#peak 431)
&rst
ixpk= 431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1177,1178,
igr2=1464,1465,1466,
&end
#
# 82 GLU- HA 82 GLU- HG2 4.09 (#peak 1032 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1032, nxpk= 0, iat=1194,1199, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 82 GLU- HA 82 GLU- HG3 4.09 (#peak 1031 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1031, nxpk= 0, iat=1194,1200, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 82 GLU- HA 82 GLU- QG 3.44 (#peak 1031)
&rst
ixpk= 1031, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1199,1200,
&end
#
# 82 GLU- HA 85 LEU QQD 4.50 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 82 GLU- HN 121 ALA QB 4.35 (#peak 403 #SUP 0.62 #QF 0.62)
&rst
ixpk= 403, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1837,1838,1839,
&end
#
# 82 GLU- HN 82 GLU- HB2 3.81 (#peak 1025 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1025, nxpk= 0, iat=1192,1196, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 82 GLU- HN 82 GLU- HB3 3.81 (#peak 1026 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1026, nxpk= 0, iat=1192,1197, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 82 GLU- HN 82 GLU- HG2 4.66 (#peak 1034 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1034, nxpk= 0, iat=1192,1199, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 82 GLU- HN 82 GLU- HG3 4.66 (#peak 1033 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1033, nxpk= 0, iat=1192,1200, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 82 GLU- HN 83 LYS+ HN 3.62 (#peak 626 #SUP 0.84 #QF 0.84)
&rst
ixpk= 626, nxpk= 0, iat=1192,1207, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 82 GLU- QB 83 LYS+ HN 3.74 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1196,1197,
&end
#
# 82 GLU- QG 85 LEU QQD 4.98 (#peak 1030)
&rst
ixpk= 1030, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1199,1200,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 83 LYS+ HA 83 LYS+ HG2 3.88 (#peak 880 #SUP 1.00)
&rst
ixpk= 880, nxpk= 0, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 83 LYS+ HA 83 LYS+ HG3 3.88 (#peak 883 #SUP 0.98 #QF 0.98)
&rst
ixpk= 883, nxpk= 0, iat=1209,1215, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 83 LYS+ HA 83 LYS+ QD 5.50 (#peak 839 #SUP 1.00 #QF 0.67)
&rst
ixpk= 839, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1217,1218,
&end
#
# 83 LYS+ HA 83 LYS+ QG 3.35 (#peak 883)
&rst
ixpk= 883, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1214,1215,
&end
#
# 83 LYS+ HG2 83 LYS+ QE 3.98 (#peak 878 #SUP 1.00 #QF 0.90)
&rst
ixpk= 878, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1220,1221,
&end
#
# 83 LYS+ HG3 83 LYS+ QE 3.98 (#peak 573 #SUP 0.99 #QF 0.99)
&rst
ixpk= 573, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1220,1221,
&end
#
# 83 LYS+ HN 83 LYS+ QB 2.97 (#peak 607)
&rst
ixpk= 607, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1211,1212,
&end
#
# 83 LYS+ HN 83 LYS+ QE 4.65 (#peak 612 #SUP 0.97 #QF 0.97)
&rst
ixpk= 612, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1220,1221,
&end
#
# 83 LYS+ HN 83 LYS+ QG 3.33 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1214,1215,
&end
#
# 83 LYS+ HN 84 LEU HN 3.58 (#peak 613 #SUP 0.83 #QF 0.83)
&rst
ixpk= 613, nxpk= 0, iat=1207,1229, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 83 LYS+ QB 83 LYS+ QE 3.39 (#peak 1047)
&rst
ixpk= 1047, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1211,1212,
igr2=1220,1221,
&end
#
# 83 LYS+ QD 117 LEU QQD 5.44 (#peak 781)
&rst
ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1217,1218,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 83 LYS+ QE 117 LEU QQD 5.44 (#peak 784)
&rst
ixpk= 784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1220,1221,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 83 LYS+ QG 83 LYS+ QE 3.39 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1214,1215,
igr2=1220,1221,
&end
#
# 84 LEU HA 117 LEU QQD 4.15 (#peak 949)
&rst
ixpk= 949, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 84 LEU HA 84 LEU QD1 3.71 (#peak 950 #SUP 0.91 #QF 0.91)
&rst
ixpk= 950, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1238,1239,1240,
&end
#
# 84 LEU HA 84 LEU QD2 3.71 (#peak 944 #SUP 0.84 #QF 0.84)
&rst
ixpk= 944, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1242,1243,1244,
&end
#
# 84 LEU HG 117 LEU QQD 4.25 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 84 LEU HG 95 ILE QD1 5.50 (#peak 111 #SUP 0.70 #QF 0.70)
&rst
ixpk= 111, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1426,1427,1428,
&end
#
# 84 LEU HN 84 LEU QB 3.17 (#peak 903)
&rst
ixpk= 903, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1233,1234,
&end
#
# 84 LEU HN 84 LEU QQD 4.15 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1238,1239,1240,1242,1243,1244,
&end
#
# 84 LEU HN 85 LEU HN 3.32 (#peak 551 #SUP 0.58 #QF 0.58)
&rst
ixpk= 551, nxpk= 0, iat=1229,1248, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 84 LEU QB 117 LEU QQD 5.28 (#peak 781)
&rst
ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=1233,1234,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 84 LEU QB 85 LEU HN 3.59 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1233,1234,
&end
#
# 84 LEU QB 95 ILE QG2 4.18 (#peak 121)
&rst
ixpk= 121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1233,1234,
igr2=1419,1420,1421,
&end
#
# 84 LEU QD1 111 PHE QE 4.13 (#peak 688 #SUP 1.00 #QF 0.65)
&rst
ixpk= 688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1238,1239,1240,
igr2=1660,1664,
&end
#
# 84 LEU QD1 118 LEU HA 3.93 (#peak 1048 #SUP 0.71 #QF 0.22)
&rst
ixpk= 1048, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1238,1239,1240,
&end
#
# 84 LEU QD2 111 PHE QE 4.13 (#peak 942 #SUP 0.55 #QF 0.55)
&rst
ixpk= 942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1242,1243,1244,
igr2=1660,1664,
&end
#
# 84 LEU QD2 118 LEU HA 3.93 (#peak 248 #SUP 0.80 #QF 0.80)
&rst
ixpk= 248, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1242,1243,1244,
&end
#
# 84 LEU QQD 111 PHE QE 3.46 (#peak 942)
&rst
ixpk= 942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1238,1239,1240,1242,1243,1244,
igr2=1660,1664,
&end
#
# 84 LEU QQD 117 LEU HG 5.22 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1238,1239,1240,1242,1243,1244,
&end
#
# 84 LEU QQD 117 LEU HN 4.04 (#peak 1050)
&rst
ixpk= 1050, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1238,1239,1240,1242,1243,1244,
&end
#
# 84 LEU QQD 117 LEU QB 4.36 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1238,1239,1240,1242,1243,1244,
igr2=1759,1760,
&end
#
# 84 LEU QQD 118 LEU HA 3.26 (#peak 1048)
&rst
ixpk= 1048, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1238,1239,1240,1242,1243,1244,
&end
#
# 84 LEU QQD 118 LEU HN 3.41 (#peak 1051)
&rst
ixpk= 1051, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1238,1239,1240,1242,1243,1244,
&end
#
# 84 LEU QQD 118 LEU QD2 3.69 (#peak 948)
&rst
ixpk= 948, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1238,1239,1240,1242,1243,1244,
igr2=1787,1788,1789,
&end
#
# 84 LEU QQD 85 LEU HN 4.15 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1238,1239,1240,1242,1243,1244,
&end
#
# 84 LEU QQD 85 LEU QQD 3.68 (#peak 939)
&rst
ixpk= 939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1238,1239,1240,1242,1243,1244,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 84 LEU QQD 88 MET QE 5.44 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1238,1239,1240,1242,1243,1244,
igr2=1305,1306,1307,
&end
#
# 85 LEU HA 85 LEU QD1 3.93 (#peak 244 #SUP 0.98 #QF 0.98)
&rst
ixpk= 244, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1257,1258,1259,
&end
#
# 85 LEU HA 85 LEU QD2 3.93 (#peak 242 #SUP 0.89 #QF 0.89)
&rst
ixpk= 242, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1261,1262,1263,
&end
#
# 85 LEU HA 88 MET HN 5.50 (#peak 325 #SUP 0.62 #QF 0.22)
&rst
ixpk= 325, nxpk= 0, iat=1250,1294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HA 92 TYR QD 5.50 (#peak 351 #SUP 1.00 #QF 0.64)
&rst
ixpk= 351, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1364,1373,
&end
#
# 85 LEU HA 95 ILE QG2 4.15 (#peak 243 #SUP 0.85 #QF 0.67)
&rst
ixpk= 243, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1419,1420,1421,
&end
#
# 85 LEU HG 95 ILE QG2 4.61 (#peak 121 #SUP 0.92 #QF 0.69)
&rst
ixpk= 121, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1419,1420,1421,
&end
#
# 85 LEU HN 85 LEU HG 4.07 (#peak 508 #SUP 0.93 #QF 0.91)
&rst
ixpk= 508, nxpk= 0, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 85 LEU HN 85 LEU QD1 4.88 (#peak 505 #SUP 0.89 #QF 0.89)
&rst
ixpk= 505, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1257,1258,1259,
&end
#
# 85 LEU HN 85 LEU QD2 4.88 (#peak 710 #SUP 0.99 #QF 0.98)
&rst
ixpk= 710, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1261,1262,1263,
&end
#
# 85 LEU HN 85 LEU QQD 3.55 (#peak 505)
&rst
ixpk= 505, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU HN 88 MET QE 5.50 (#peak 748 #SUP 0.69 #QF 0.49)
&rst
ixpk= 748, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1305,1306,1307,
&end
#
# 85 LEU HN 92 TYR QD 5.48 (#peak 511 #SUP 0.57 #QF 0.57)
&rst
ixpk= 511, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1364,1373,
&end
#
# 85 LEU HN 95 ILE QG2 4.50 (#peak 127 #SUP 0.93 #QF 0.93)
&rst
ixpk= 127, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1419,1420,1421,
&end
#
# 85 LEU QB 92 TYR QD 3.93 (#peak 373)
&rst
ixpk= 373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1252,1253,
igr2=1364,1373,
&end
#
# 85 LEU QB 92 TYR QE 4.74 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1252,1253,
igr2=1366,1371,
&end
#
# 85 LEU QD1 92 TYR QD 5.35 (#peak 717 #SUP 1.00 #QF 0.90)
&rst
ixpk= 717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1257,1258,1259,
igr2=1364,1373,
&end
#
# 85 LEU QD1 92 TYR QE 4.86 (#peak 360 #SUP 1.00)
&rst
ixpk= 360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1257,1258,1259,
igr2=1366,1371,
&end
#
# 85 LEU QD1 95 ILE QG2 4.29 (#peak 118 #SUP 0.98 #QF 0.98)
&rst
ixpk= 118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1257,1258,1259,
igr2=1419,1420,1421,
&end
#
# 85 LEU QD1 96 SER HA 4.80 (#peak 726 #SUP 1.00)
&rst
ixpk= 726, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1257,1258,1259,
&end
#
# 85 LEU QD1 96 SER HN 4.80 (#peak 29 #SUP 0.99 #QF 0.99)
&rst
ixpk= 29, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1257,1258,1259,
&end
#
# 85 LEU QD2 92 TYR QD 5.35 (#peak 708 #SUP 0.99 #QF 0.89)
&rst
ixpk= 708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1261,1262,1263,
igr2=1364,1373,
&end
#
# 85 LEU QD2 92 TYR QE 4.86 (#peak 361 #SUP 0.94 #QF 0.94)
&rst
ixpk= 361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1261,1262,1263,
igr2=1366,1371,
&end
#
# 85 LEU QD2 95 ILE QG2 4.29 (#peak 119 #SUP 0.79 #QF 0.69)
&rst
ixpk= 119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1261,1262,1263,
igr2=1419,1420,1421,
&end
#
# 85 LEU QD2 96 SER HA 4.80 (#peak 727 #SUP 0.98 #QF 0.98)
&rst
ixpk= 727, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1261,1262,1263,
&end
#
# 85 LEU QD2 96 SER HN 4.80 (#peak 709 #SUP 1.00)
&rst
ixpk= 709, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1261,1262,1263,
&end
#
# 85 LEU QQD 88 MET QE 4.96 (#peak 760)
&rst
ixpk= 760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1257,1258,1259,1261,1262,1263,
igr2=1305,1306,1307,
&end
#
# 85 LEU QQD 92 TYR HA 4.66 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU QQD 92 TYR QD 4.52 (#peak 717)
&rst
ixpk= 717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1257,1258,1259,1261,1262,1263,
igr2=1364,1373,
&end
#
# 85 LEU QQD 94 LYS+ HG3 5.44 (#peak 766)
&rst
ixpk= 766, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU QQD 95 ILE HA 5.44 (#peak 706)
&rst
ixpk= 706, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU QQD 95 ILE HB 3.02 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU QQD 95 ILE HN 4.76 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU QQD 95 ILE QD1 4.81 (#peak 713)
&rst
ixpk= 713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1257,1258,1259,1261,1262,1263,
igr2=1426,1427,1428,
&end
#
# 85 LEU QQD 95 ILE QG2 3.68 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1257,1258,1259,1261,1262,1263,
igr2=1419,1420,1421,
&end
#
# 85 LEU QQD 96 SER HN 3.73 (#peak 29)
&rst
ixpk= 29, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1257,1258,1259,1261,1262,1263,
&end
#
# 85 LEU QQD 96 SER QB 4.45 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1257,1258,1259,1261,1262,1263,
igr2=1436,1437,
&end
#
# 86 ASP- HN 86 ASP- QB 3.74 (#peak 615 #SUP 0.97 #QF 0.97)
&rst
ixpk= 615, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1271,1272,
&end
#
# 86 ASP- HN 87 GLU- HN 4.28 (#peak 619 #SUP 0.81 #QF 0.81)
&rst
ixpk= 619, nxpk= 0, iat=1267,1279, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 86 ASP- HN 88 MET HN 4.98 (#peak 326 #SUP 0.99 #QF 0.50)
&rst
ixpk= 326, nxpk= 0, iat=1267,1294, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 86 ASP- HN 88 MET QE 5.50 (#peak 748 #SUP 0.69 #QF 0.49)
&rst
ixpk= 748, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1305,1306,1307,
&end
#
# 86 ASP- HN 92 TYR QD 4.32 (#peak 348 #SUP 0.64 #QF 0.64)
&rst
ixpk= 348, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1364,1373,
&end
#
# 86 ASP- HN 92 TYR QE 5.50 (#peak 370 #SUP 0.94 #QF 0.93)
&rst
ixpk= 370, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1366,1371,
&end
#
# 86 ASP- QB 87 GLU- HN 4.35 (#peak 995 #SUP 0.99 #QF 0.84)
&rst
ixpk= 995, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1271,1272,
&end
#
# 87 GLU- HA 87 GLU- HG2 4.25 (#peak 1057 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1057, nxpk= 0, iat=1281,1286, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 87 GLU- HA 87 GLU- HG3 4.25 (#peak 1058 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1058, nxpk= 0, iat=1281,1287, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 87 GLU- HA 87 GLU- QG 3.72 (#peak 1057)
&rst
ixpk= 1057, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1286,1287,
&end
#
# 87 GLU- HN 87 GLU- QB 3.68 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1283,1284,
&end
#
# 87 GLU- HN 87 GLU- QG 3.93 (#peak 1060)
&rst
ixpk= 1060, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1286,1287,
&end
#
# 87 GLU- HN 88 MET HN 3.70 (#peak 327 #SUP 0.71 #QF 0.71)
&rst
ixpk= 327, nxpk= 0, iat=1279,1294, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 87 GLU- HN 88 MET QG 4.38 (#peak 668)
&rst
ixpk= 668, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1301,1302,
&end
#
# 87 GLU- QB 117 LEU QQD 5.44 (#peak 1063)
&rst
ixpk= 1063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1283,1284,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 87 GLU- QB 88 MET HN 4.00 (#peak 1056 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1056, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1283,1284,
&end
#
# 87 GLU- QG 117 LEU QQD 4.85 (#peak 1061)
&rst
ixpk= 1061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1286,1287,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 88 MET HA 88 MET QE 5.31 (#peak 753 #SUP 0.99 #QF 0.99)
&rst
ixpk= 753, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1305,1306,1307,
&end
#
# 88 MET HA 91 VAL QG1 5.11 (#peak 663 #SUP 0.64 #QF 0.64)
&rst
ixpk= 663, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1346,1347,1348,
&end
#
# 88 MET HG2 95 ILE QD1 5.50 (#peak 115 #SUP 0.60 #QF 0.60)
&rst
ixpk= 115, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1426,1427,1428,
&end
#
# 88 MET HG3 95 ILE QD1 5.50 (#peak 648 #SUP 0.93 #QF 0.93)
&rst
ixpk= 648, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1426,1427,1428,
&end
#
# 88 MET HN 88 MET QB 3.60 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1298,1299,
&end
#
# 88 MET HN 88 MET QE 5.00 (#peak 746 #SUP 0.99 #QF 0.99)
&rst
ixpk= 746, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 88 MET HN 88 MET QG 3.31 (#peak 491)
&rst
ixpk= 491, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1301,1302,
&end
#
# 88 MET HN 89 GLN HA 5.50 (#peak 325 #SUP 0.62 #QF 0.22)
&rst
ixpk= 325, nxpk= 0, iat=1294,1313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 MET HN 89 GLN HN 4.56 (#peak 404 #SUP 0.99 #QF 0.99)
&rst
ixpk= 404, nxpk= 0, iat=1294,1311, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 88 MET HN 90 ASP- HN 5.50 (#peak 260 #SUP 0.54 #QF 0.54)
&rst
ixpk= 260, nxpk= 0, iat=1294,1328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 MET QB 92 TYR QD 5.13 (#peak 1064)
&rst
ixpk= 1064, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1298,1299,
igr2=1364,1373,
&end
#
# 88 MET QE 111 PHE QD 4.57 (#peak 494 #SUP 0.58 #QF 0.58)
&rst
ixpk= 494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1305,1306,1307,
igr2=1658,1666,
&end
#
# 88 MET QE 111 PHE QE 4.31 (#peak 691 #SUP 0.94 #QF 0.94)
&rst
ixpk= 691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1305,1306,1307,
igr2=1660,1664,
&end
#
# 88 MET QE 114 ILE QD1 5.31 (#peak 759 #SUP 0.85 #QF 0.85)
&rst
ixpk= 759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1305,1306,1307,
igr2=1714,1715,1716,
&end
#
# 88 MET QE 91 VAL QG1 5.00 (#peak 758 #SUP 0.99 #QF 0.99)
&rst
ixpk= 758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
igr2=1346,1347,1348,
&end
#
# 88 MET QE 92 TYR HA 4.70 (#peak 341 #SUP 0.96 #QF 0.96)
&rst
ixpk= 341, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1305,1306,1307,
&end
#
# 88 MET QE 92 TYR HB2 5.00 (#peak 756 #SUP 0.96 #QF 0.96)
&rst
ixpk= 756, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1305,1306,1307,
&end
#
# 88 MET QE 92 TYR HB3 5.00 (#peak 755 #SUP 0.99 #QF 0.99)
&rst
ixpk= 755, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1305,1306,1307,
&end
#
# 88 MET QE 92 TYR HN 5.00 (#peak 747 #SUP 1.00)
&rst
ixpk= 747, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1305,1306,1307,
&end
#
# 88 MET QE 92 TYR QD 4.17 (#peak 357 #SUP 0.98 #QF 0.98)
&rst
ixpk= 357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1305,1306,1307,
igr2=1364,1373,
&end
#
# 88 MET QE 93 ASN HN 5.50 (#peak 749 #SUP 0.40 #QF 0.40)
&rst
ixpk= 749, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 88 MET QE 95 ILE QD1 5.08 (#peak 114 #SUP 0.93 #QF 0.93)
&rst
ixpk= 114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1305,1306,1307,
igr2=1426,1427,1428,
&end
#
# 88 MET QG 114 ILE QG2 4.73 (#peak 656)
&rst
ixpk= 656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1301,1302,
igr2=1707,1708,1709,
&end
#
# 88 MET QG 89 GLN HA 5.34 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1301,1302,
&end
#
# 88 MET QG 89 GLN HN 5.34 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1301,1302,
&end
#
# 88 MET QG 92 TYR HN 5.24 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1301,1302,
&end
#
# 88 MET QG 95 ILE QD1 4.69 (#peak 648)
&rst
ixpk= 648, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1301,1302,
igr2=1426,1427,1428,
&end
#
# 89 GLN HA 89 GLN QE2 3.85 (#peak 589)
&rst
ixpk= 589, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1323,1324,
&end
#
# 89 GLN HA 92 TYR HB3 4.09 (#peak 993 #SUP 0.57 #QF 0.57)
&rst
ixpk= 993, nxpk= 0, iat=1313,1361, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 89 GLN HA 92 TYR HN 4.36 (#peak 175 #SUP 0.69 #QF 0.69)
&rst
ixpk= 175, nxpk= 0, iat=1313,1356, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 89 GLN HA 92 TYR QD 5.50 (#peak 351 #SUP 1.00 #QF 0.64)
&rst
ixpk= 351, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1364,1373,
&end
#
# 89 GLN HA 92 TYR QE 4.96 (#peak 368 #SUP 0.97 #QF 0.94)
&rst
ixpk= 368, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1366,1371,
&end
#
# 89 GLN HG2 93 ASN HD21 4.66 (#peak 561 #SUP 0.88 #QF 0.88)
&rst
ixpk= 561, nxpk= 0, iat=1318,1386, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 GLN HG2 93 ASN HD22 4.66 (#peak 566 #SUP 0.80 #QF 0.80)
&rst
ixpk= 566, nxpk= 0, iat=1318,1387, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 GLN HG3 93 ASN HD21 4.66 (#peak 560 #SUP 0.93 #QF 0.93)
&rst
ixpk= 560, nxpk= 0, iat=1319,1386, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 GLN HG3 93 ASN HD22 4.66 (#peak 565 #SUP 0.91 #QF 0.91)
&rst
ixpk= 565, nxpk= 0, iat=1319,1387, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 GLN HN 89 GLN HG2 4.79 (#peak 411 #SUP 0.87 #QF 0.87)
&rst
ixpk= 411, nxpk= 0, iat=1311,1318, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 89 GLN HN 89 GLN HG3 4.79 (#peak 586 #SUP 0.93 #QF 0.93)
&rst
ixpk= 586, nxpk= 0, iat=1311,1319, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 89 GLN HN 89 GLN QB 3.67 (#peak 574 #SUP 1.00)
&rst
ixpk= 574, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1315,1316,
&end
#
# 89 GLN HN 89 GLN QG 4.20 (#peak 411)
&rst
ixpk= 411, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1318,1319,
&end
#
# 89 GLN HN 90 ASP- HN 4.35 (#peak 259 #SUP 0.98 #QF 0.98)
&rst
ixpk= 259, nxpk= 0, iat=1311,1328, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 89 GLN HN 91 VAL HN 4.61 (#peak 405 #SUP 0.83 #QF 0.47)
&rst
ixpk= 405, nxpk= 0, iat=1311,1340, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 89 GLN HN 92 TYR HN 5.10 (#peak 405 #SUP 0.83 #QF 0.47)
&rst
ixpk= 405, nxpk= 0, iat=1311,1356, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 89 GLN HN 92 TYR QD 4.47 (#peak 407 #SUP 0.72 #QF 0.72)
&rst
ixpk= 407, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1364,1373,
&end
#
# 89 GLN HN 92 TYR QE 5.50 (#peak 370 #SUP 0.94 #QF 0.93)
&rst
ixpk= 370, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1366,1371,
&end
#
# 89 GLN QB 89 GLN HE21 4.03 (#peak 587 #SUP 1.00 #QF 0.99)
&rst
ixpk= 587, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1315,1316,
&end
#
# 89 GLN QB 89 GLN HE22 4.03 (#peak 591 #SUP 1.00)
&rst
ixpk= 591, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1315,1316,
&end
#
# 89 GLN QB 89 GLN QE2 3.54 (#peak 591)
&rst
ixpk= 591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1315,1316,
igr2=1323,1324,
&end
#
# 89 GLN QB 90 ASP- HN 3.67 (#peak 575 #SUP 0.85 #QF 0.85)
&rst
ixpk= 575, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1315,1316,
&end
#
# 89 GLN QB 92 TYR QD 4.85 (#peak 576 #SUP 0.96 #QF 0.83)
&rst
ixpk= 576, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1315,1316,
igr2=1364,1373,
&end
#
# 89 GLN QB 92 TYR QE 5.22 (#peak 364 #SUP 1.00 #QF 0.98)
&rst
ixpk= 364, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1315,1316,
igr2=1366,1371,
&end
#
# 89 GLN QG 89 GLN QE2 3.18 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1318,1319,
igr2=1323,1324,
&end
#
# 89 GLN QG 92 TYR QD 5.34 (#peak 1067)
&rst
ixpk= 1067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1318,1319,
igr2=1364,1373,
&end
#
# 89 GLN QG 92 TYR QE 4.55 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1318,1319,
igr2=1366,1371,
&end
#
# 89 GLN QG 93 ASN HD22 3.89 (#peak 566)
&rst
ixpk= 566, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1318,1319,
&end
#
# 90 ASP- HA 93 ASN HD21 3.92 (#peak 564 #SUP 0.88 #QF 0.88)
&rst
ixpk= 564, nxpk= 0, iat=1330,1386, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 90 ASP- HA 93 ASN HD22 4.66 (#peak 569 #SUP 0.98 #QF 0.98)
&rst
ixpk= 569, nxpk= 0, iat=1330,1387, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 90 ASP- HA 93 ASN HN 4.08 (#peak 637 #SUP 0.91 #QF 0.91)
&rst
ixpk= 637, nxpk= 0, iat=1330,1377, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 90 ASP- HA 93 ASN QB 4.03 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1381,1382,
&end
#
# 90 ASP- HB2 91 VAL HN 3.82 (#peak 103 #SUP 0.63 #QF 0.63)
&rst
ixpk= 103, nxpk= 0, iat=1332,1340, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 90 ASP- HB3 91 VAL HN 3.82 (#peak 506 #SUP 0.95 #QF 0.95)
&rst
ixpk= 506, nxpk= 0, iat=1333,1340, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 90 ASP- HN 90 ASP- QB 2.92 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1332,1333,
&end
#
# 90 ASP- HN 91 VAL HN 3.85 (#peak 258 #SUP 1.00 #QF 0.95)
&rst
ixpk= 258, nxpk= 0, iat=1328,1340, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 90 ASP- HN 92 TYR HN 3.81 (#peak 515 #SUP 0.83 #QF 0.83)
&rst
ixpk= 515, nxpk= 0, iat=1328,1356, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 90 ASP- QB 91 VAL HB 3.90 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1332,1333,
&end
#
# 90 ASP- QB 91 VAL HN 3.17 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1332,1333,
&end
#
# 91 VAL HA 107 ILE HG13 4.70 (#peak 174 #SUP 0.77 #QF 0.77)
&rst
ixpk= 174, nxpk= 0, iat=1342,1602, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 91 VAL HA 107 ILE QD1 5.07 (#peak 87 #SUP 0.98 #QF 0.97)
&rst
ixpk= 87, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1604,1605,1606,
&end
#
# 91 VAL HA 91 VAL QG1 4.17 (#peak 186 #SUP 0.97 #QF 0.94)
&rst
ixpk= 186, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1346,1347,1348,
&end
#
# 91 VAL HA 91 VAL QG2 3.97 (#peak 193 #SUP 1.00)
&rst
ixpk= 193, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1350,1351,1352,
&end
#
# 91 VAL HA 93 ASN HN 4.14 (#peak 343 #SUP 1.00 #QF 0.23)
&rst
ixpk= 343, nxpk= 0, iat=1342,1377, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 91 VAL HA 94 LYS+ HN 4.66 (#peak 171 #SUP 0.67 #QF 0.67)
&rst
ixpk= 171, nxpk= 0, iat=1342,1391, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 91 VAL HB 114 ILE QD1 3.78 (#peak 176 #SUP 0.78 #QF 0.78)
&rst
ixpk= 176, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1714,1715,1716,
&end
#
# 91 VAL HB 92 TYR HN 4.56 (#peak 179 #SUP 1.00)
&rst
ixpk= 179, nxpk= 0, iat=1344,1356, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 91 VAL HN 114 ILE QD1 5.42 (#peak 140 #SUP 0.85 #QF 0.85)
&rst
ixpk= 140, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1714,1715,1716,
&end
#
# 91 VAL HN 91 VAL HB 3.57 (#peak 168 #SUP 0.97 #QF 0.97)
&rst
ixpk= 168, nxpk= 0, iat=1340,1344, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 91 VAL HN 91 VAL QG1 3.51 (#peak 513 #SUP 0.96 #QF 0.96)
&rst
ixpk= 513, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1346,1347,1348,
&end
#
# 91 VAL HN 91 VAL QG2 3.97 (#peak 190 #SUP 0.99 #QF 0.99)
&rst
ixpk= 190, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1350,1351,1352,
&end
#
# 91 VAL HN 93 ASN HN 4.36 (#peak 98 #SUP 0.76 #QF 0.76)
&rst
ixpk= 98, nxpk= 0, iat=1340,1377, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 91 VAL QG1 107 ILE QD1 3.97 (#peak 188 #SUP 0.74 #QF 0.74)
&rst
ixpk= 188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1346,1347,1348,
igr2=1604,1605,1606,
&end
#
# 91 VAL QG1 111 PHE HA 5.50 (#peak 185 #SUP 0.95 #QF 0.82)
&rst
ixpk= 185, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 91 VAL QG1 111 PHE HZ 3.97 (#peak 184 #SUP 0.72 #QF 0.72)
&rst
ixpk= 184, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1346,1347,1348,
&end
#
# 91 VAL QG1 111 PHE QD 4.47 (#peak 182 #SUP 0.99 #QF 0.99)
&rst
ixpk= 182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1346,1347,1348,
igr2=1658,1666,
&end
#
# 91 VAL QG1 111 PHE QE 3.75 (#peak 689 #SUP 0.87 #QF 0.87)
&rst
ixpk= 689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1346,1347,1348,
igr2=1660,1664,
&end
#
# 91 VAL QG1 92 TYR HA 4.60 (#peak 186 #SUP 0.97 #QF 0.94)
&rst
ixpk= 186, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1346,1347,1348,
&end
#
# 91 VAL QG1 92 TYR HN 4.16 (#peak 180 #SUP 0.90 #QF 0.90)
&rst
ixpk= 180, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1346,1347,1348,
&end
#
# 91 VAL QG1 95 ILE QD1 4.28 (#peak 110 #SUP 0.84 #QF 0.84)
&rst
ixpk= 110, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1346,1347,1348,
igr2=1426,1427,1428,
&end
#
# 91 VAL QG2 107 ILE QD1 4.80 (#peak 721 #SUP 0.93 #QF 0.93)
&rst
ixpk= 721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1350,1351,1352,
igr2=1604,1605,1606,
&end
#
# 91 VAL QG2 110 GLU- QB 4.49 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1350,1351,1352,
igr2=1639,1640,
&end
#
# 91 VAL QG2 110 GLU- QG 4.22 (#peak 195 #SUP 0.77 #QF 0.77)
&rst
ixpk= 195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1350,1351,1352,
igr2=1642,1643,
&end
#
# 91 VAL QG2 111 PHE HA 5.50 (#peak 1069 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1069, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1350,1351,1352,
&end
#
# 91 VAL QG2 111 PHE QD 3.97 (#peak 191 #SUP 0.99 #QF 0.99)
&rst
ixpk= 191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1350,1351,1352,
igr2=1658,1666,
&end
#
# 91 VAL QG2 111 PHE QE 3.97 (#peak 192 #SUP 0.98 #QF 0.98)
&rst
ixpk= 192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1350,1351,1352,
igr2=1660,1664,
&end
#
# 92 TYR HA 92 TYR QD 4.70 (#peak 344 #SUP 0.92 #QF 0.92)
&rst
ixpk= 344, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1364,1373,
&end
#
# 92 TYR HA 94 LYS+ HN 5.50 (#peak 416 #SUP 0.97 #QF 0.93)
&rst
ixpk= 416, nxpk= 0, iat=1358,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 TYR HA 95 ILE QD1 4.49 (#peak 107 #SUP 0.95 #QF 0.95)
&rst
ixpk= 107, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1426,1427,1428,
&end
#
# 92 TYR HB3 93 ASN HN 3.84 (#peak 342 #SUP 0.93 #QF 0.93)
&rst
ixpk= 342, nxpk= 0, iat=1361,1377, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 92 TYR HN 92 TYR HB3 3.81 (#peak 177 #SUP 1.00)
&rst
ixpk= 177, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 92 TYR HN 92 TYR QD 3.27 (#peak 174 #SUP 0.96 #QF 0.96)
&rst
ixpk= 174, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1364,1373,
&end
#
# 92 TYR HN 92 TYR QE 5.47 (#peak 371 #SUP 0.95 #QF 0.95)
&rst
ixpk= 371, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1366,1371,
&end
#
# 92 TYR HN 93 ASN HN 3.59 (#peak 173 #SUP 0.82 #QF 0.82)
&rst
ixpk= 173, nxpk= 0, iat=1356,1377, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 92 TYR QD 93 ASN HA 5.39 (#peak 350 #SUP 0.81 #QF 0.81)
&rst
ixpk= 350, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1364,1373,
&end
#
# 92 TYR QD 93 ASN HN 3.07 (#peak 349 #SUP 0.97 #QF 0.97)
&rst
ixpk= 349, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1364,1373,
&end
#
# 92 TYR QD 93 ASN QB 5.34 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1364,1373,
igr2=1381,1382,
&end
#
# 92 TYR QD 95 ILE QG2 4.52 (#peak 358 #SUP 0.77 #QF 0.77)
&rst
ixpk= 358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1364,1373,
igr2=1419,1420,1421,
&end
#
# 92 TYR QE 93 ASN HA 4.86 (#peak 369 #SUP 0.96 #QF 0.96)
&rst
ixpk= 369, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1366,1371,
&end
#
# 92 TYR QE 93 ASN HN 5.10 (#peak 372 #SUP 0.90 #QF 0.81)
&rst
ixpk= 372, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1366,1371,
&end
#
# 92 TYR QE 95 ILE QG2 5.50 (#peak 362 #SUP 0.72 #QF 0.72)
&rst
ixpk= 362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1366,1371,
igr2=1419,1420,1421,
&end
#
# 92 TYR QE 96 SER HN 5.50 (#peak 372 #SUP 0.90 #QF 0.81)
&rst
ixpk= 372, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1366,1371,
&end
#
# 93 ASN HA 93 ASN HD22 4.73 (#peak 638 #SUP 0.99 #QF 0.99)
&rst
ixpk= 638, nxpk= 0, iat=1379,1387, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 93 ASN HB2 94 LYS+ HN 3.84 (#peak 418 #SUP 0.94 #QF 0.94)
&rst
ixpk= 418, nxpk= 0, iat=1381,1391, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 93 ASN HB3 94 LYS+ HN 3.84 (#peak 417 #SUP 0.91 #QF 0.91)
&rst
ixpk= 417, nxpk= 0, iat=1382,1391, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 93 ASN HN 93 ASN HD21 3.65 (#peak 516 #SUP 0.68 #QF 0.68)
&rst
ixpk= 516, nxpk= 0, iat=1377,1386, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 93 ASN HN 93 ASN QB 3.57 (#peak 341)
&rst
ixpk= 341, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1381,1382,
&end
#
# 93 ASN HN 94 LYS+ HN 3.33 (#peak 347 #SUP 0.65 #QF 0.65)
&rst
ixpk= 347, nxpk= 0, iat=1377,1391, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 93 ASN HN 95 ILE QD1 5.50 (#peak 914 #SUP 0.99 #QF 0.39)
&rst
ixpk= 914, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1426,1427,1428,
&end
#
# 93 ASN QB 93 ASN HD22 3.57 (#peak 568)
&rst
ixpk= 568, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1381,1382,
&end
#
# 93 ASN QB 94 LYS+ HN 3.32 (#peak 417)
&rst
ixpk= 417, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1381,1382,
&end
#
# 94 LYS+ HA 94 LYS+ QE 4.51 (#peak 892)
&rst
ixpk= 892, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1404,1405,
&end
#
# 94 LYS+ HA 97 GLN HN 4.53 (#peak 997 #SUP 0.36 #QF 0.36)
&rst
ixpk= 997, nxpk= 0, iat=1393,1443, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 94 LYS+ HE2 118 LEU QD2 5.12 (#peak 887 #SUP 0.86 #QF 0.86)
&rst
ixpk= 887, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1787,1788,1789,
&end
#
# 94 LYS+ HE2 95 ILE QG2 5.50 (#peak 889 #SUP 0.96 #QF 0.96)
&rst
ixpk= 889, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1419,1420,1421,
&end
#
# 94 LYS+ HE3 118 LEU QD2 5.12 (#peak 229 #SUP 0.83 #QF 0.73)
&rst
ixpk= 229, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1787,1788,1789,
&end
#
# 94 LYS+ HE3 95 ILE QG2 5.50 (#peak 888 #SUP 0.94 #QF 0.94)
&rst
ixpk= 888, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1419,1420,1421,
&end
#
# 94 LYS+ HG3 118 LEU QD2 5.50 (#peak 767 #SUP 0.55 #QF 0.55)
&rst
ixpk= 767, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1787,1788,1789,
&end
#
# 94 LYS+ HG3 95 ILE HA 4.39 (#peak 1006 #SUP 0.52 #QF 0.52)
&rst
ixpk= 1006, nxpk= 0, iat=1399,1415, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 94 LYS+ HG3 95 ILE HN 3.52 (#peak 44 #SUP 0.78 #QF 0.78)
&rst
ixpk= 44, nxpk= 0, iat=1399,1413, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 94 LYS+ HN 107 ILE QD1 4.46 (#peak 419 #SUP 0.67 #QF 0.67)
&rst
ixpk= 419, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1604,1605,1606,
&end
#
# 94 LYS+ HN 94 LYS+ HG2 3.74 (#peak 639 #SUP 0.78 #QF 0.78)
&rst
ixpk= 639, nxpk= 0, iat=1391,1398, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 94 LYS+ HN 94 LYS+ HG3 5.00 (#peak 773 #SUP 0.98 #QF 0.98)
&rst
ixpk= 773, nxpk= 0, iat=1391,1399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 LYS+ HN 94 LYS+ QB 3.58 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1395,1396,
&end
#
# 94 LYS+ HN 95 ILE HN 3.48 (#peak 413 #SUP 0.94 #QF 0.94)
&rst
ixpk= 413, nxpk= 0, iat=1391,1413, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 94 LYS+ QE 104 TRP HE1 3.88 (#peak 19)
&rst
ixpk= 19, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1404,1405,
&end
#
# 94 LYS+ QE 104 TRP HZ2 3.54 (#peak 895)
&rst
ixpk= 895, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1404,1405,
&end
#
# 94 LYS+ QE 98 ALA HN 4.59 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1404,1405,
&end
#
# 94 LYS+ QE 98 ALA QB 3.62 (#peak 426)
&rst
ixpk= 426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1404,1405,
igr2=1464,1465,1466,
&end
#
# 95 ILE HA 107 ILE QD1 4.87 (#peak 1009 #SUP 0.76 #QF 0.76)
&rst
ixpk= 1009, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1604,1605,1606,
&end
#
# 95 ILE HA 95 ILE QD1 4.03 (#peak 1007 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1007, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1426,1427,1428,
&end
#
# 95 ILE HA 95 ILE QG1 3.73 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1423,1424,
&end
#
# 95 ILE HA 95 ILE QG2 4.01 (#peak 123 #SUP 1.00 #QF 0.29)
&rst
ixpk= 123, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1419,1420,1421,
&end
#
# 95 ILE HA 97 GLN HN 4.92 (#peak 1011 #SUP 0.73 #QF 0.41)
&rst
ixpk= 1011, nxpk= 0, iat=1415,1443, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 95 ILE HA 98 ALA HN 4.91 (#peak 208 #SUP 0.70 #QF 0.29)
&rst
ixpk= 208, nxpk= 0, iat=1415,1460, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 95 ILE HA 98 ALA QB 4.08 (#peak 426 #SUP 0.74 #QF 0.54)
&rst
ixpk= 426, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1464,1465,1466,
&end
#
# 95 ILE HB 95 ILE QD1 3.73 (#peak 76 #SUP 0.81 #QF 0.81)
&rst
ixpk= 76, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1426,1427,1428,
&end
#
# 95 ILE HB 96 SER HN 3.89 (#peak 32 #SUP 0.99 #QF 0.99)
&rst
ixpk= 32, nxpk= 0, iat=1417,1432, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 95 ILE HN 107 ILE QD1 4.41 (#peak 38 #SUP 0.50 #QF 0.50)
&rst
ixpk= 38, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1604,1605,1606,
&end
#
# 95 ILE HN 95 ILE HB 2.97 (#peak 43 #SUP 0.82 #QF 0.82)
&rst
ixpk= 43, nxpk= 0, iat=1413,1417, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 95 ILE HN 95 ILE QD1 3.63 (#peak 45 #SUP 0.75 #QF 0.75)
&rst
ixpk= 45, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1426,1427,1428,
&end
#
# 95 ILE HN 95 ILE QG2 4.00 (#peak 128 #SUP 0.95 #QF 0.95)
&rst
ixpk= 128, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1419,1420,1421,
&end
#
# 95 ILE HN 96 SER HN 3.42 (#peak 39 #SUP 0.93 #QF 0.93)
&rst
ixpk= 39, nxpk= 0, iat=1413,1432, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 95 ILE QD1 104 TRP HH2 5.27 (#peak 60 #SUP 0.94 #QF 0.85)
&rst
ixpk= 60, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1426,1427,1428,
&end
#
# 95 ILE QD1 104 TRP HZ2 5.50 (#peak 43 #SUP 0.76 #QF 0.49)
&rst
ixpk= 43, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1426,1427,1428,
&end
#
# 95 ILE QD1 104 TRP HZ3 4.94 (#peak 64 #SUP 0.87 #QF 0.30)
&rst
ixpk= 64, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1426,1427,1428,
&end
#
# 95 ILE QD1 111 PHE HZ 5.50 (#peak 896 #SUP 1.00 #QF 0.86)
&rst
ixpk= 896, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1426,1427,1428,
&end
#
# 95 ILE QD1 111 PHE QE 3.42 (#peak 108 #SUP 0.76 #QF 0.76)
&rst
ixpk= 108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1426,1427,1428,
igr2=1660,1664,
&end
#
# 95 ILE QD1 118 LEU QD1 4.63 (#peak 106 #SUP 0.83 #QF 0.83)
&rst
ixpk= 106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1426,1427,1428,
igr2=1783,1784,1785,
&end
#
# 95 ILE QD1 96 SER HN 5.50 (#peak 914 #SUP 0.99 #QF 0.39)
&rst
ixpk= 914, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1426,1427,1428,
&end
#
# 95 ILE QG2 104 TRP HH2 4.00 (#peak 125 #SUP 0.83 #QF 0.83)
&rst
ixpk= 125, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1419,1420,1421,
&end
#
# 95 ILE QG2 104 TRP HZ2 4.50 (#peak 129 #SUP 0.79 #QF 0.79)
&rst
ixpk= 129, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1419,1420,1421,
&end
#
# 95 ILE QG2 118 LEU QD2 4.61 (#peak 119 #SUP 0.79 #QF 0.69)
&rst
ixpk= 119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1419,1420,1421,
igr2=1787,1788,1789,
&end
#
# 95 ILE QG2 96 SER HA 4.61 (#peak 124 #SUP 0.80 #QF 0.44)
&rst
ixpk= 124, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1419,1420,1421,
&end
#
# 95 ILE QG2 96 SER HN 4.00 (#peak 126 #SUP 0.98 #QF 0.98)
&rst
ixpk= 126, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1419,1420,1421,
&end
#
# 96 SER HN 96 SER HB2 4.20 (#peak 34 #SUP 1.00 #QF 0.32)
&rst
ixpk= 34, nxpk= 0, iat=1432,1436, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 SER HN 96 SER HB3 4.20 (#peak 517 #SUP 0.92 #QF 0.92)
&rst
ixpk= 517, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 SER HN 96 SER QB 3.52 (#peak 517)
&rst
ixpk= 517, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1436,1437,
&end
#
# 96 SER HN 97 GLN HN 3.89 (#peak 36 #SUP 0.84 #QF 0.84)
&rst
ixpk= 36, nxpk= 0, iat=1432,1443, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 96 SER QB 97 GLN HN 3.80 (#peak 537)
&rst
ixpk= 537, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1436,1437,
&end
#
# 97 GLN HA 97 GLN QG 3.60 (#peak 592 #SUP 1.00)
&rst
ixpk= 592, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1450,1451,
&end
#
# 97 GLN HB2 98 ALA HN 4.13 (#peak 210 #SUP 0.86 #QF 0.86)
&rst
ixpk= 210, nxpk= 0, iat=1447,1460, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 97 GLN HB3 98 ALA HN 4.13 (#peak 211 #SUP 0.88 #QF 0.88)
&rst
ixpk= 211, nxpk= 0, iat=1448,1460, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 97 GLN HN 97 GLN QB 3.65 (#peak 593)
&rst
ixpk= 593, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1447,1448,
&end
#
# 97 GLN HN 97 GLN QG 4.10 (#peak 591 #SUP 0.96 #QF 0.96)
&rst
ixpk= 591, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1450,1451,
&end
#
# 97 GLN QB 98 ALA HN 3.41 (#peak 210)
&rst
ixpk= 210, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1447,1448,
&end
#
# 97 GLN QB 99 GLU- HN 5.34 (#peak 302)
&rst
ixpk= 302, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1447,1448,
&end
#
# 97 GLN QG 98 ALA HN 3.98 (#peak 209 #SUP 0.64 #QF 0.64)
&rst
ixpk= 209, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1450,1451,
&end
#
# 97 GLN QG 99 GLU- HN 5.06 (#peak 303 #SUP 0.99 #QF 0.44)
&rst
ixpk= 303, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1450,1451,
&end
#
# 98 ALA HA 100 ASN HN 3.54 (#peak 436 #SUP 0.90 #QF 0.90)
&rst
ixpk= 436, nxpk= 0, iat=1462,1485, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 98 ALA HA 99 GLU- HN 3.16 (#peak 298 #SUP 0.89 #QF 0.89)
&rst
ixpk= 298, nxpk= 0, iat=1462,1470, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 98 ALA HN 100 ASN HN 4.68 (#peak 318 #SUP 0.83 #QF 0.83)
&rst
ixpk= 318, nxpk= 0, iat=1460,1485, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 98 ALA HN 98 ALA QB 3.34 (#peak 422 #SUP 0.99 #QF 0.99)
&rst
ixpk= 422, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1464,1465,1466,
&end
#
# 98 ALA HN 99 GLU- HN 3.78 (#peak 300 #SUP 0.91 #QF 0.91)
&rst
ixpk= 300, nxpk= 0, iat=1460,1470, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 98 ALA QB 100 ASN HN 4.94 (#peak 306 #SUP 0.96 #QF 0.96)
&rst
ixpk= 306, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1464,1465,1466,
&end
#
# 98 ALA QB 104 TRP HE1 3.33 (#peak 15 #SUP 0.93 #QF 0.93)
&rst
ixpk= 15, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1464,1465,1466,
&end
#
# 98 ALA QB 104 TRP HZ2 3.34 (#peak 421 #SUP 0.83 #QF 0.83)
&rst
ixpk= 421, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1464,1465,1466,
&end
#
# 98 ALA QB 99 GLU- HN 3.75 (#peak 418 #SUP 0.97 #QF 0.97)
&rst
ixpk= 418, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1464,1465,1466,
&end
#
# 99 GLU- HA 99 GLU- QG 3.34 (#peak 1075)
&rst
ixpk= 1075, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1477,1478,
&end
#
# 99 GLU- HB2 100 ASN HN 4.42 (#peak 308 #SUP 0.99 #QF 0.99)
&rst
ixpk= 308, nxpk= 0, iat=1474,1485, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 99 GLU- HB3 100 ASN HN 4.42 (#peak 307 #SUP 0.89 #QF 0.89)
&rst
ixpk= 307, nxpk= 0, iat=1475,1485, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 99 GLU- HN 100 ASN HA 4.85 (#peak 299 #SUP 0.74 #QF 0.74)
&rst
ixpk= 299, nxpk= 0, iat=1470,1487, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 GLU- HN 100 ASN HN 4.16 (#peak 317 #SUP 0.99 #QF 0.99)
&rst
ixpk= 317, nxpk= 0, iat=1470,1485, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 99 GLU- HN 99 GLU- HG2 4.78 (#peak 1077 #SUP 1.00)
&rst
ixpk= 1077, nxpk= 0, iat=1470,1477, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 99 GLU- HN 99 GLU- HG3 4.78 (#peak 320 #SUP 1.00)
&rst
ixpk= 320, nxpk= 0, iat=1470,1478, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 99 GLU- HN 99 GLU- QB 3.65 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1474,1475,
&end
#
# 99 GLU- QB 100 ASN HN 3.81 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1474,1475,
&end
#
# 99 GLU- QG 100 ASN HN 4.82 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1477,1478,
&end
#
# 100 ASN HA 100 ASN QD2 3.85 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1494,1495,
&end
#
# 100 ASN HN 100 ASN HB2 4.16 (#peak 312 #SUP 0.99 #QF 0.99)
&rst
ixpk= 312, nxpk= 0, iat=1485,1489, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 100 ASN HN 100 ASN HB3 4.16 (#peak 313 #SUP 0.88 #QF 0.88)
&rst
ixpk= 313, nxpk= 0, iat=1485,1490, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 100 ASN QB 100 ASN QD2 3.18 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1489,1490,
igr2=1494,1495,
&end
#
# 102 ASP- QB 103 ASP- HN 4.67 (#peak 995 #SUP 0.99 #QF 0.84)
&rst
ixpk= 995, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1514,1515,
&end
#
# 103 ASP- HN 104 TRP HN 3.66 (#peak 267 #SUP 0.76 #QF 0.76)
&rst
ixpk= 267, nxpk= 0, iat=1522,1534, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 103 ASP- QB 104 TRP HN 3.74 (#peak 552 #SUP 0.91 #QF 0.91)
&rst
ixpk= 552, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1526,1527,
&end
#
# 104 TRP HA 107 ILE QD1 4.33 (#peak 1079 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1079, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1604,1605,1606,
&end
#
# 104 TRP HA 107 ILE QG2 3.71 (#peak 95 #SUP 0.80 #QF 0.80)
&rst
ixpk= 95, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1597,1598,1599,
&end
#
# 104 TRP HB2 104 TRP HD1 3.44 (#peak 697 #SUP 0.83 #QF 0.83)
&rst
ixpk= 697, nxpk= 0, iat=1538,1542, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 104 TRP HB2 105 LEU HN 4.11 (#peak 137 #SUP 0.99 #QF 0.99)
&rst
ixpk= 137, nxpk= 0, iat=1538,1558, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 104 TRP HB3 105 LEU HN 3.65 (#peak 136 #SUP 0.92 #QF 0.92)
&rst
ixpk= 136, nxpk= 0, iat=1539,1558, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 104 TRP HB3 107 ILE QG2 4.17 (#peak 99 #SUP 0.72 #QF 0.72)
&rst
ixpk= 99, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1597,1598,1599,
&end
#
# 104 TRP HB3 108 SER HN 5.50 (#peak 64 #SUP 0.73 #QF 0.73)
&rst
ixpk= 64, nxpk= 0, iat=1539,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 TRP HE3 107 ILE QD1 5.40 (#peak 698 #SUP 1.00)
&rst
ixpk= 698, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1604,1605,1606,
&end
#
# 104 TRP HE3 107 ILE QG2 4.28 (#peak 66 #SUP 0.81 #QF 0.81)
&rst
ixpk= 66, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1597,1598,1599,
&end
#
# 104 TRP HE3 118 LEU QD2 4.28 (#peak 65 #SUP 0.92 #QF 0.92)
&rst
ixpk= 65, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1787,1788,1789,
&end
#
# 104 TRP HE3 122 GLN HE21 5.07 (#peak 473 #SUP 0.96 #QF 0.28)
&rst
ixpk= 473, nxpk= 0, iat=1553,1855, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 104 TRP HH2 107 ILE QG2 5.50 (#peak 60 #SUP 0.94 #QF 0.85)
&rst
ixpk= 60, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1597,1598,1599,
&end
#
# 104 TRP HH2 118 LEU QD2 4.44 (#peak 58 #SUP 0.96 #QF 0.87)
&rst
ixpk= 58, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1787,1788,1789,
&end
#
# 104 TRP HH2 121 ALA QB 3.34 (#peak 440 #SUP 0.30 #QF 0.30)
&rst
ixpk= 440, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1837,1838,1839,
&end
#
# 104 TRP HN 104 TRP HD1 3.54 (#peak 54 #SUP 0.57 #QF 0.57)
&rst
ixpk= 54, nxpk= 0, iat=1534,1542, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 104 TRP HN 105 LEU HN 4.14 (#peak 140 #SUP 0.97 #QF 0.97)
&rst
ixpk= 140, nxpk= 0, iat=1534,1558, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 104 TRP HN 106 THR HN 4.77 (#peak 28 #SUP 0.48 #QF 0.48)
&rst
ixpk= 28, nxpk= 0, iat=1534,1577, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 104 TRP HZ2 107 ILE QG2 5.50 (#peak 43 #SUP 0.76 #QF 0.49)
&rst
ixpk= 43, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1597,1598,1599,
&end
#
# 104 TRP HZ2 121 ALA QB 5.50 (#peak 42 #SUP 0.89 #QF 0.89)
&rst
ixpk= 42, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1837,1838,1839,
&end
#
# 104 TRP HZ3 107 ILE QD1 5.49 (#peak 699 #SUP 0.98 #QF 0.98)
&rst
ixpk= 699, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1604,1605,1606,
&end
#
# 104 TRP HZ3 107 ILE QG2 4.17 (#peak 94 #SUP 0.84 #QF 0.84)
&rst
ixpk= 94, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1597,1598,1599,
&end
#
# 104 TRP HZ3 118 LEU QD1 3.93 (#peak 218 #SUP 0.74 #QF 0.74)
&rst
ixpk= 218, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1783,1784,1785,
&end
#
# 104 TRP HZ3 118 LEU QD2 3.93 (#peak 217 #SUP 0.97 #QF 0.97)
&rst
ixpk= 217, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1787,1788,1789,
&end
#
# 105 LEU HA 105 LEU HG 3.26 (#peak 272 #SUP 0.69 #QF 0.69)
&rst
ixpk= 272, nxpk= 0, iat=1560,1565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 105 LEU HA 105 LEU QD1 4.17 (#peak 262 #SUP 0.82 #QF 0.82)
&rst
ixpk= 262, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1567,1568,1569,
&end
#
# 105 LEU HA 105 LEU QD2 4.17 (#peak 956 #SUP 0.99 #QF 0.99)
&rst
ixpk= 956, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1571,1572,1573,
&end
#
# 105 LEU HA 105 LEU QQD 3.00 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1567,1568,1569,1571,1572,1573,
&end
#
# 105 LEU HA 108 SER HN 3.85 (#peak 1081 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1081, nxpk= 0, iat=1560,1610, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 105 LEU HB2 106 THR HN 4.24 (#peak 253 #SUP 0.95 #QF 0.95)
&rst
ixpk= 253, nxpk= 0, iat=1562,1577, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 105 LEU HB3 105 LEU QD1 3.96 (#peak 267 #SUP 0.96 #QF 0.96)
&rst
ixpk= 267, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1567,1568,1569,
&end
#
# 105 LEU HB3 105 LEU QD2 3.96 (#peak 957 #SUP 0.88 #QF 0.69)
&rst
ixpk= 957, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1571,1572,1573,
&end
#
# 105 LEU HB3 105 LEU QQD 3.12 (#peak 267)
&rst
ixpk= 267, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1567,1568,1569,1571,1572,1573,
&end
#
# 105 LEU HB3 106 THR HN 3.16 (#peak 254 #SUP 0.84 #QF 0.84)
&rst
ixpk= 254, nxpk= 0, iat=1563,1577, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 105 LEU HG 106 THR HA 4.20 (#peak 273 #SUP 0.88 #QF 0.43)
&rst
ixpk= 273, nxpk= 0, iat=1565,1579, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 105 LEU HG 109 ASN HD21 3.92 (#peak 571 #SUP 0.99 #QF 0.99)
&rst
ixpk= 571, nxpk= 0, iat=1565,1630, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 105 LEU HG 109 ASN HD22 3.26 (#peak 270 #SUP 0.98 #QF 0.98)
&rst
ixpk= 270, nxpk= 0, iat=1565,1631, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 105 LEU HN 105 LEU HB3 3.42 (#peak 135 #SUP 0.70 #QF 0.70)
&rst
ixpk= 135, nxpk= 0, iat=1558,1563, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 105 LEU HN 105 LEU HG 5.50 (#peak 134 #SUP 0.81 #QF 0.81)
&rst
ixpk= 134, nxpk= 0, iat=1558,1565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LEU HN 105 LEU QD1 4.79 (#peak 133 #SUP 1.00 #QF 0.87)
&rst
ixpk= 133, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1567,1568,1569,
&end
#
# 105 LEU HN 105 LEU QD2 4.79 (#peak 952 #SUP 1.00)
&rst
ixpk= 952, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1571,1572,1573,
&end
#
# 105 LEU HN 105 LEU QQD 4.07 (#peak 952)
&rst
ixpk= 952, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1567,1568,1569,1571,1572,1573,
&end
#
# 105 LEU HN 106 THR HN 3.20 (#peak 141 #SUP 0.82 #QF 0.82)
&rst
ixpk= 141, nxpk= 0, iat=1558,1577, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 105 LEU HN 108 SER HN 5.50 (#peak 58 #SUP 0.97 #QF 0.83)
&rst
ixpk= 58, nxpk= 0, iat=1558,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LEU QD1 106 THR HN 5.47 (#peak 1082 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1082, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1567,1568,1569,
&end
#
# 105 LEU QD1 109 ASN HD22 4.17 (#peak 264 #SUP 0.94 #QF 0.94)
&rst
ixpk= 264, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1567,1568,1569,
&end
#
# 105 LEU QD2 106 THR HN 5.47 (#peak 190 #SUP 1.00 #QF 0.78)
&rst
ixpk= 190, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1571,1572,1573,
&end
#
# 105 LEU QD2 109 ASN HD22 4.17 (#peak 953 #SUP 1.00)
&rst
ixpk= 953, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1571,1572,1573,
&end
#
# 105 LEU QQD 106 THR HN 4.35 (#peak 1082)
&rst
ixpk= 1082, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1567,1568,1569,1571,1572,1573,
&end
#
# 105 LEU QQD 109 ASN HD21 3.81 (#peak 265)
&rst
ixpk= 265, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1567,1568,1569,1571,1572,1573,
&end
#
# 105 LEU QQD 109 ASN HD22 3.00 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1567,1568,1569,1571,1572,1573,
&end
#
# 106 THR HA 106 THR QG2 4.19 (#peak 379 #SUP 0.99 #QF 0.99)
&rst
ixpk= 379, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1583,1584,1585,
&end
#
# 106 THR HA 109 ASN HD21 3.92 (#peak 574 #SUP 0.89 #QF 0.89)
&rst
ixpk= 574, nxpk= 0, iat=1579,1630, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 106 THR HA 109 ASN HD22 3.92 (#peak 580 #SUP 0.82 #QF 0.82)
&rst
ixpk= 580, nxpk= 0, iat=1579,1631, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 106 THR HA 109 ASN HN 5.08 (#peak 382 #SUP 0.88 #QF 0.88)
&rst
ixpk= 382, nxpk= 0, iat=1579,1621, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 106 THR HB 107 ILE HN 3.52 (#peak 55 #SUP 0.88 #QF 0.88)
&rst
ixpk= 55, nxpk= 0, iat=1581,1591, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 106 THR HN 106 THR QG2 4.73 (#peak 189 #SUP 1.00)
&rst
ixpk= 189, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1583,1584,1585,
&end
#
# 106 THR HN 107 ILE HN 3.23 (#peak 56 #SUP 0.59 #QF 0.59)
&rst
ixpk= 56, nxpk= 0, iat=1577,1591, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 106 THR HN 108 SER HN 5.50 (#peak 60 #SUP 0.81 #QF 0.81)
&rst
ixpk= 60, nxpk= 0, iat=1577,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 THR QG2 107 ILE HA 5.08 (#peak 387 #SUP 0.93 #QF 0.93)
&rst
ixpk= 387, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1583,1584,1585,
&end
#
# 106 THR QG2 107 ILE HN 5.08 (#peak 384 #SUP 1.00)
&rst
ixpk= 384, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1583,1584,1585,
&end
#
# 106 THR QG2 109 ASN QB 4.95 (#peak 388)
&rst
ixpk= 388, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1583,1584,1585,
igr2=1625,1626,
&end
#
# 106 THR QG2 110 GLU- QG 5.08 (#peak 389 #SUP 0.80 #QF 0.80)
&rst
ixpk= 389, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1583,1584,1585,
igr2=1642,1643,
&end
#
# 107 ILE HA 107 ILE QD1 3.89 (#peak 86 #SUP 0.96 #QF 0.96)
&rst
ixpk= 86, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1604,1605,1606,
&end
#
# 107 ILE HA 107 ILE QG2 3.71 (#peak 97 #SUP 0.99 #QF 0.99)
&rst
ixpk= 97, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1597,1598,1599,
&end
#
# 107 ILE HA 110 GLU- HN 3.56 (#peak 294 #SUP 0.41 #QF 0.41)
&rst
ixpk= 294, nxpk= 0, iat=1593,1635, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 107 ILE HA 110 GLU- QG 4.16 (#peak 977 #SUP 0.89 #QF 0.89)
&rst
ixpk= 977, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1642,1643,
&end
#
# 107 ILE HB 107 ILE QD1 3.97 (#peak 84 #SUP 1.00 #QF 0.42)
&rst
ixpk= 84, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1604,1605,1606,
&end
#
# 107 ILE HB 108 SER HN 5.50 (#peak 65 #SUP 0.98 #QF 0.98)
&rst
ixpk= 65, nxpk= 0, iat=1595,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ILE HB 109 ASN HN 5.50 (#peak 438 #SUP 0.65 #QF 0.65)
&rst
ixpk= 438, nxpk= 0, iat=1595,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ILE HG12 110 GLU- QG 4.65 (#peak 972 #SUP 0.77 #QF 0.77)
&rst
ixpk= 972, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1642,1643,
&end
#
# 107 ILE HG12 111 PHE HZ 5.50 (#peak 684 #SUP 0.97 #QF 0.31)
&rst
ixpk= 684, nxpk= 0, iat=1601,1662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ILE HG13 108 SER HN 5.50 (#peak 66 #SUP 0.70 #QF 0.70)
&rst
ixpk= 66, nxpk= 0, iat=1602,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ILE HN 107 ILE HB 4.11 (#peak 52 #SUP 1.00)
&rst
ixpk= 52, nxpk= 0, iat=1591,1595, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 107 ILE HN 107 ILE HG12 4.75 (#peak 48 #SUP 0.99 #QF 0.99)
&rst
ixpk= 48, nxpk= 0, iat=1591,1601, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 107 ILE HN 107 ILE HG13 4.41 (#peak 90 #SUP 0.98 #QF 0.98)
&rst
ixpk= 90, nxpk= 0, iat=1591,1602, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 107 ILE HN 107 ILE QD1 4.38 (#peak 78 #SUP 0.86 #QF 0.86)
&rst
ixpk= 78, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1604,1605,1606,
&end
#
# 107 ILE HN 107 ILE QG2 3.46 (#peak 49 #SUP 0.95 #QF 0.95)
&rst
ixpk= 49, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1597,1598,1599,
&end
#
# 107 ILE HN 108 SER HN 3.67 (#peak 57 #SUP 0.90 #QF 0.90)
&rst
ixpk= 57, nxpk= 0, iat=1591,1610, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 107 ILE QD1 108 SER HN 5.50 (#peak 69 #SUP 1.00)
&rst
ixpk= 69, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1604,1605,1606,
&end
#
# 107 ILE QG2 107 ILE HG13 3.71 (#peak 101 #SUP 0.99 #QF 0.99)
&rst
ixpk= 101, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1597,1598,1599,
&end
#
# 107 ILE QG2 107 ILE QD1 3.71 (#peak 102 #SUP 1.00)
&rst
ixpk= 102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1597,1598,1599,
igr2=1604,1605,1606,
&end
#
# 107 ILE QG2 108 SER HA 4.80 (#peak 736 #SUP 0.49 #QF 0.49)
&rst
ixpk= 736, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1597,1598,1599,
&end
#
# 107 ILE QG2 108 SER HN 3.71 (#peak 91 #SUP 0.94 #QF 0.94)
&rst
ixpk= 91, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1597,1598,1599,
&end
#
# 107 ILE QG2 110 GLU- QG 5.50 (#peak 973 #SUP 0.68 #QF 0.68)
&rst
ixpk= 973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1597,1598,1599,
igr2=1642,1643,
&end
#
# 107 ILE QG2 111 PHE HB2 3.71 (#peak 98 #SUP 0.84 #QF 0.84)
&rst
ixpk= 98, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1597,1598,1599,
&end
#
# 107 ILE QG2 111 PHE HN 4.59 (#peak 238 #SUP 0.66 #QF 0.66)
&rst
ixpk= 238, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1597,1598,1599,
&end
#
# 107 ILE QG2 111 PHE QD 3.71 (#peak 92 #SUP 0.86 #QF 0.86)
&rst
ixpk= 92, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1597,1598,1599,
igr2=1658,1666,
&end
#
# 107 ILE QG2 111 PHE QE 3.71 (#peak 93 #SUP 0.80 #QF 0.80)
&rst
ixpk= 93, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1597,1598,1599,
igr2=1660,1664,
&end
#
# 108 SER HA 118 LEU QD1 4.80 (#peak 737 #SUP 0.75 #QF 0.75)
&rst
ixpk= 737, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1783,1784,1785,
&end
#
# 108 SER HA 122 GLN HE22 4.80 (#peak 474 #SUP 0.47 #QF 0.47)
&rst
ixpk= 474, nxpk= 0, iat=1612,1856, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 108 SER HN 109 ASN HN 4.39 (#peak 430 #SUP 0.92 #QF 0.92)
&rst
ixpk= 430, nxpk= 0, iat=1610,1621, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 108 SER HN 110 GLU- HN 5.50 (#peak 58 #SUP 0.97 #QF 0.83)
&rst
ixpk= 58, nxpk= 0, iat=1610,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 SER HN 118 LEU QD1 4.91 (#peak 211 #SUP 0.90 #QF 0.90)
&rst
ixpk= 211, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1783,1784,1785,
&end
#
# 108 SER QB 111 PHE HN 5.10 (#peak 740 #SUP 0.57 #QF 0.57)
&rst
ixpk= 740, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1614,1615,
&end
#
# 108 SER QB 118 LEU QD1 3.93 (#peak 225 #SUP 0.75 #QF 0.75)
&rst
ixpk= 225, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1614,1615,
igr2=1783,1784,1785,
&end
#
# 109 ASN HB2 110 GLU- HN 4.11 (#peak 292 #SUP 0.90 #QF 0.90)
&rst
ixpk= 292, nxpk= 0, iat=1625,1635, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 109 ASN HB3 110 GLU- HN 4.11 (#peak 291 #SUP 0.97 #QF 0.97)
&rst
ixpk= 291, nxpk= 0, iat=1626,1635, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 109 ASN HN 109 ASN HB2 3.70 (#peak 435 #SUP 0.96 #QF 0.96)
&rst
ixpk= 435, nxpk= 0, iat=1621,1625, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 109 ASN HN 109 ASN HB3 3.70 (#peak 434 #SUP 0.97 #QF 0.97)
&rst
ixpk= 434, nxpk= 0, iat=1621,1626, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 109 ASN HN 109 ASN HD21 3.92 (#peak 575 #SUP 0.95 #QF 0.95)
&rst
ixpk= 575, nxpk= 0, iat=1621,1630, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 109 ASN HN 110 GLU- HN 3.78 (#peak 295 #SUP 0.90 #QF 0.90)
&rst
ixpk= 295, nxpk= 0, iat=1621,1635, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 109 ASN QB 109 ASN HD22 3.57 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1625,1626,
&end
#
# 109 ASN QB 110 GLU- HN 3.38 (#peak 292)
&rst
ixpk= 292, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1625,1626,
&end
#
# 109 ASN QB 110 GLU- QG 4.10 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1625,1626,
igr2=1642,1643,
&end
#
# 110 GLU- HA 110 GLU- QG 3.78 (#peak 978 #SUP 1.00)
&rst
ixpk= 978, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1642,1643,
&end
#
# 110 GLU- HN 110 GLU- HB2 4.04 (#peak 290 #SUP 0.96 #QF 0.96)
&rst
ixpk= 290, nxpk= 0, iat=1635,1639, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 110 GLU- HN 110 GLU- HB3 4.04 (#peak 554 #SUP 1.00)
&rst
ixpk= 554, nxpk= 0, iat=1635,1640, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 110 GLU- HN 110 GLU- QB 3.50 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1639,1640,
&end
#
# 110 GLU- HN 110 GLU- QG 3.81 (#peak 979 #SUP 0.93 #QF 0.93)
&rst
ixpk= 979, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1642,1643,
&end
#
# 110 GLU- HN 111 PHE HB2 4.08 (#peak 293 #SUP 0.53 #QF 0.53)
&rst
ixpk= 293, nxpk= 0, iat=1635,1654, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 110 GLU- HN 111 PHE HN 3.72 (#peak 246 #SUP 0.90 #QF 0.90)
&rst
ixpk= 246, nxpk= 0, iat=1635,1650, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 110 GLU- QB 111 PHE HN 4.21 (#peak 982)
&rst
ixpk= 982, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1639,1640,
&end
#
# 110 GLU- QG 111 PHE HN 3.74 (#peak 241 #SUP 0.78 #QF 0.78)
&rst
ixpk= 241, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1642,1643,
&end
#
# 111 PHE HA 111 PHE QD 3.46 (#peak 493 #SUP 0.99 #QF 0.99)
&rst
ixpk= 493, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1658,1666,
&end
#
# 111 PHE HA 111 PHE QE 4.45 (#peak 489 #SUP 0.80 #QF 0.80)
&rst
ixpk= 489, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1660,1664,
&end
#
# 111 PHE HA 114 ILE HB 3.20 (#peak 70 #SUP 0.90 #QF 0.90)
&rst
ixpk= 70, nxpk= 0, iat=1652,1705, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 111 PHE HA 114 ILE HN 3.71 (#peak 336 #SUP 0.99 #QF 0.99)
&rst
ixpk= 336, nxpk= 0, iat=1652,1701, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 111 PHE HA 114 ILE QD1 3.87 (#peak 136 #SUP 0.92 #QF 0.92)
&rst
ixpk= 136, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1714,1715,1716,
&end
#
# 111 PHE HA 114 ILE QG2 3.67 (#peak 148 #SUP 0.94 #QF 0.94)
&rst
ixpk= 148, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1707,1708,1709,
&end
#
# 111 PHE HB2 112 ASP- HN 4.23 (#peak 478 #SUP 0.99 #QF 0.99)
&rst
ixpk= 478, nxpk= 0, iat=1654,1670, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 111 PHE HB2 118 LEU QD1 4.25 (#peak 484 #SUP 0.98 #QF 0.98)
&rst
ixpk= 484, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1783,1784,1785,
&end
#
# 111 PHE HB3 112 ASP- HN 4.21 (#peak 901 #SUP 0.99 #QF 0.99)
&rst
ixpk= 901, nxpk= 0, iat=1655,1670, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 111 PHE HB3 115 SER HN 3.88 (#peak 444 #SUP 0.72 #QF 0.72)
&rst
ixpk= 444, nxpk= 0, iat=1655,1720, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 111 PHE HB3 118 LEU QD1 4.53 (#peak 230 #SUP 0.93 #QF 0.73)
&rst
ixpk= 230, nxpk= 0, iat=1655, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1783,1784,1785,
&end
#
# 111 PHE HB3 118 LEU QD2 5.50 (#peak 229 #SUP 0.83 #QF 0.73)
&rst
ixpk= 229, nxpk= 0, iat=1655, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1787,1788,1789,
&end
#
# 111 PHE HN 111 PHE HB2 3.76 (#peak 533 #SUP 1.00)
&rst
ixpk= 533, nxpk= 0, iat=1650,1654, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 111 PHE HN 111 PHE HB3 3.41 (#peak 534 #SUP 0.94 #QF 0.94)
&rst
ixpk= 534, nxpk= 0, iat=1650,1655, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 111 PHE HN 111 PHE QD 4.23 (#peak 492 #SUP 1.00)
&rst
ixpk= 492, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1658,1666,
&end
#
# 111 PHE HN 112 ASP- HB2 4.50 (#peak 1084 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1084, nxpk= 0, iat=1650,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 PHE HN 112 ASP- HN 3.74 (#peak 271 #SUP 0.97 #QF 0.97)
&rst
ixpk= 271, nxpk= 0, iat=1650,1670, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 111 PHE HN 113 LEU HN 4.66 (#peak 151 #SUP 0.80 #QF 0.80)
&rst
ixpk= 151, nxpk= 0, iat=1650,1682, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 111 PHE HN 114 ILE HB 4.88 (#peak 239 #SUP 1.00)
&rst
ixpk= 239, nxpk= 0, iat=1650,1705, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 111 PHE HN 118 LEU QD1 4.91 (#peak 212 #SUP 0.99 #QF 0.99)
&rst
ixpk= 212, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1783,1784,1785,
&end
#
# 111 PHE HZ 114 ILE QD1 4.72 (#peak 685 #SUP 0.89 #QF 0.89)
&rst
ixpk= 685, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1714,1715,1716,
&end
#
# 111 PHE HZ 114 ILE QG2 4.46 (#peak 897 #SUP 0.99 #QF 0.99)
&rst
ixpk= 897, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1707,1708,1709,
&end
#
# 111 PHE HZ 118 LEU QD1 5.50 (#peak 684 #SUP 0.97 #QF 0.31)
&rst
ixpk= 684, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1783,1784,1785,
&end
#
# 111 PHE QD 114 ILE HB 4.12 (#peak 495 #SUP 0.97 #QF 0.97)
&rst
ixpk= 495, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1658,1666,
&end
#
# 111 PHE QD 114 ILE QD1 4.80 (#peak 138 #SUP 0.99 #QF 0.99)
&rst
ixpk= 138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1658,1666,
igr2=1714,1715,1716,
&end
#
# 111 PHE QD 114 ILE QG2 3.67 (#peak 150 #SUP 1.00)
&rst
ixpk= 150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1658,1666,
igr2=1707,1708,1709,
&end
#
# 111 PHE QD 115 SER HA 4.42 (#peak 503 #SUP 0.90 #QF 0.90)
&rst
ixpk= 503, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1658,1666,
&end
#
# 111 PHE QD 115 SER HN 3.65 (#peak 448 #SUP 0.78 #QF 0.78)
&rst
ixpk= 448, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1658,1666,
&end
#
# 111 PHE QD 115 SER QB 3.95 (#peak 987 #SUP 0.98 #QF 0.98)
&rst
ixpk= 987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1658,1666,
igr2=1724,1725,
&end
#
# 111 PHE QD 118 LEU HB2 3.44 (#peak 207 #SUP 0.87 #QF 0.87)
&rst
ixpk= 207, nxpk= 0, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1658,1666,
&end
#
# 111 PHE QD 118 LEU HB3 3.98 (#peak 202 #SUP 0.99 #QF 0.91)
&rst
ixpk= 202, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1658,1666,
&end
#
# 111 PHE QD 118 LEU HG 3.71 (#peak 933 #SUP 0.94 #QF 0.94)
&rst
ixpk= 933, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1658,1666,
&end
#
# 111 PHE QD 118 LEU HN 4.28 (#peak 696 #SUP 0.96 #QF 0.96)
&rst
ixpk= 696, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1658,1666,
&end
#
# 111 PHE QD 118 LEU QD1 3.58 (#peak 496 #SUP 0.98 #QF 0.98)
&rst
ixpk= 496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1658,1666,
igr2=1783,1784,1785,
&end
#
# 111 PHE QD 118 LEU QD2 4.71 (#peak 208 #SUP 0.99 #QF 0.93)
&rst
ixpk= 208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1658,1666,
igr2=1787,1788,1789,
&end
#
# 111 PHE QE 114 ILE HB 4.10 (#peak 690 #SUP 0.98 #QF 0.98)
&rst
ixpk= 690, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1660,1664,
&end
#
# 111 PHE QE 114 ILE QD1 4.27 (#peak 687 #SUP 0.93 #QF 0.65)
&rst
ixpk= 687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1660,1664,
igr2=1714,1715,1716,
&end
#
# 111 PHE QE 114 ILE QG2 3.67 (#peak 149 #SUP 0.98 #QF 0.98)
&rst
ixpk= 149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1660,1664,
igr2=1707,1708,1709,
&end
#
# 111 PHE QE 115 SER HN 3.88 (#peak 447 #SUP 0.93 #QF 0.93)
&rst
ixpk= 447, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1660,1664,
&end
#
# 111 PHE QE 118 LEU QD1 3.93 (#peak 220 #SUP 0.90 #QF 0.90)
&rst
ixpk= 220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1660,1664,
igr2=1783,1784,1785,
&end
#
# 111 PHE QE 118 LEU QD2 3.93 (#peak 215 #SUP 0.99 #QF 0.99)
&rst
ixpk= 215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1660,1664,
igr2=1787,1788,1789,
&end
#
# 112 ASP- HB2 113 LEU HB2 5.50 (#peak 514 #SUP 0.94 #QF 0.94)
&rst
ixpk= 514, nxpk= 0, iat=1674,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ASP- HB2 113 LEU HN 3.63 (#peak 146 #SUP 0.99 #QF 0.99)
&rst
ixpk= 146, nxpk= 0, iat=1674,1682, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 112 ASP- HB2 113 LEU QD1 5.50 (#peak 515 #SUP 0.99 #QF 0.99)
&rst
ixpk= 515, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 112 ASP- HB3 113 LEU HA 4.41 (#peak 1083 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1083, nxpk= 0, iat=1675,1684, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 112 ASP- HB3 113 LEU HB2 4.67 (#peak 516 #SUP 0.93 #QF 0.93)
&rst
ixpk= 516, nxpk= 0, iat=1675,1686, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 112 ASP- HB3 113 LEU HN 3.31 (#peak 145 #SUP 0.96 #QF 0.96)
&rst
ixpk= 145, nxpk= 0, iat=1675,1682, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 112 ASP- HB3 113 LEU QD2 4.12 (#peak 517 #SUP 0.66 #QF 0.66)
&rst
ixpk= 517, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1695,1696,1697,
&end
#
# 112 ASP- HN 112 ASP- HB2 3.47 (#peak 508 #SUP 0.97 #QF 0.97)
&rst
ixpk= 508, nxpk= 0, iat=1670,1674, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 112 ASP- HN 112 ASP- HB3 3.60 (#peak 279 #SUP 0.96 #QF 0.96)
&rst
ixpk= 279, nxpk= 0, iat=1670,1675, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 112 ASP- HN 113 LEU HB2 5.37 (#peak 280 #SUP 1.00 #QF 0.94)
&rst
ixpk= 280, nxpk= 0, iat=1670,1686, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 112 ASP- HN 113 LEU HG 4.98 (#peak 281 #SUP 0.61 #QF 0.61)
&rst
ixpk= 281, nxpk= 0, iat=1670,1689, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 112 ASP- HN 113 LEU HN 4.73 (#peak 149 #SUP 1.00)
&rst
ixpk= 149, nxpk= 0, iat=1670,1682, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 112 ASP- HN 114 ILE HB 5.50 (#peak 280 #SUP 1.00 #QF 0.94)
&rst
ixpk= 280, nxpk= 0, iat=1670,1705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ASP- HN 114 ILE HN 5.18 (#peak 273 #SUP 0.73 #QF 0.73)
&rst
ixpk= 273, nxpk= 0, iat=1670,1701, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 113 LEU HA 113 LEU HG 3.26 (#peak 282 #SUP 0.82 #QF 0.82)
&rst
ixpk= 282, nxpk= 0, iat=1684,1689, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 113 LEU HA 113 LEU QD2 3.07 (#peak 278 #SUP 0.90 #QF 0.90)
&rst
ixpk= 278, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1695,1696,1697,
&end
#
# 113 LEU HA 114 ILE HN 3.55 (#peak 75 #SUP 0.93 #QF 0.93)
&rst
ixpk= 75, nxpk= 0, iat=1684,1701, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 113 LEU HB3 114 ILE HN 4.02 (#peak 72 #SUP 0.62 #QF 0.62)
&rst
ixpk= 72, nxpk= 0, iat=1687,1701, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 113 LEU HN 113 LEU HB2 2.86 (#peak 283 #SUP 0.89 #QF 0.89)
&rst
ixpk= 283, nxpk= 0, iat=1682,1686, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 113 LEU HN 113 LEU HB3 3.78 (#peak 284 #SUP 0.99 #QF 0.99)
&rst
ixpk= 284, nxpk= 0, iat=1682,1687, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 113 LEU HN 113 LEU HG 3.61 (#peak 291 #SUP 0.99 #QF 0.99)
&rst
ixpk= 291, nxpk= 0, iat=1682,1689, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 113 LEU HN 113 LEU QD1 4.41 (#peak 960 #SUP 0.88 #QF 0.88)
&rst
ixpk= 960, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1691,1692,1693,
&end
#
# 113 LEU HN 113 LEU QD2 3.94 (#peak 959 #SUP 0.93 #QF 0.93)
&rst
ixpk= 959, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1695,1696,1697,
&end
#
# 113 LEU HN 114 ILE HN 3.73 (#peak 150 #SUP 0.95 #QF 0.95)
&rst
ixpk= 150, nxpk= 0, iat=1682,1701, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 113 LEU QD2 116 ARG+ HD2 5.50 (#peak 856 #SUP 0.66 #QF 0.66)
&rst
ixpk= 856, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1695,1696,1697,
&end
#
# 113 LEU QD2 116 ARG+ HD3 5.50 (#peak 843 #SUP 0.71 #QF 0.71)
&rst
ixpk= 843, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1695,1696,1697,
&end
#
# 114 ILE HA 114 ILE HG12 3.71 (#peak 970 #SUP 0.98 #QF 0.98)
&rst
ixpk= 970, nxpk= 0, iat=1703,1711, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 114 ILE HA 114 ILE HG13 3.71 (#peak 969 #SUP 0.99 #QF 0.99)
&rst
ixpk= 969, nxpk= 0, iat=1703,1712, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 114 ILE HA 114 ILE QD1 3.93 (#peak 135 #SUP 0.99 #QF 0.99)
&rst
ixpk= 135, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1714,1715,1716,
&end
#
# 114 ILE HA 114 ILE QG2 3.54 (#peak 144 #SUP 0.99 #QF 0.99)
&rst
ixpk= 144, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1707,1708,1709,
&end
#
# 114 ILE HB 114 ILE QD1 4.14 (#peak 132 #SUP 1.00 #QF 0.98)
&rst
ixpk= 132, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1714,1715,1716,
&end
#
# 114 ILE HB 115 SER HN 3.65 (#peak 442 #SUP 0.98 #QF 0.98)
&rst
ixpk= 442, nxpk= 0, iat=1705,1720, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 114 ILE HG13 115 SER HN 4.11 (#peak 441 #SUP 0.98 #QF 0.98)
&rst
ixpk= 441, nxpk= 0, iat=1712,1720, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 114 ILE HN 114 ILE HG12 3.67 (#peak 153 #SUP 0.94 #QF 0.94)
&rst
ixpk= 153, nxpk= 0, iat=1701,1711, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 114 ILE HN 114 ILE HG13 3.67 (#peak 152 #SUP 0.93 #QF 0.93)
&rst
ixpk= 152, nxpk= 0, iat=1701,1712, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 114 ILE HN 114 ILE QD1 3.70 (#peak 139 #SUP 0.98 #QF 0.98)
&rst
ixpk= 139, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1714,1715,1716,
&end
#
# 114 ILE HN 114 ILE QG2 3.90 (#peak 151 #SUP 0.89 #QF 0.89)
&rst
ixpk= 151, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1707,1708,1709,
&end
#
# 114 ILE QD1 115 SER HN 4.11 (#peak 440 #SUP 0.86 #QF 0.86)
&rst
ixpk= 440, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1714,1715,1716,
&end
#
# 114 ILE QG2 114 ILE HG12 3.67 (#peak 156 #SUP 0.94 #QF 0.94)
&rst
ixpk= 156, nxpk= 0, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1707,1708,1709,
&end
#
# 114 ILE QG2 114 ILE HG13 3.67 (#peak 159 #SUP 0.99 #QF 0.99)
&rst
ixpk= 159, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1707,1708,1709,
&end
#
# 114 ILE QG2 115 SER HN 3.65 (#peak 439 #SUP 0.99 #QF 0.99)
&rst
ixpk= 439, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1707,1708,1709,
&end
#
# 115 SER HA 116 ARG+ QG 5.34 (#peak 829)
&rst
ixpk= 829, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1738,1739,
&end
#
# 115 SER HN 115 SER QB 3.95 (#peak 986 #SUP 0.99 #QF 0.99)
&rst
ixpk= 986, nxpk= 0, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1724,1725,
&end
#
# 115 SER HN 116 ARG+ HN 4.56 (#peak 450 #SUP 1.00)
&rst
ixpk= 450, nxpk= 0, iat=1720,1731, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 115 SER QB 118 LEU QD1 4.94 (#peak 985 #SUP 0.31 #QF 0.31)
&rst
ixpk= 985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1724,1725,
igr2=1783,1784,1785,
&end
#
# 116 ARG+ HA 116 ARG+ QD 3.51 (#peak 852)
&rst
ixpk= 852, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1741,1742,
&end
#
# 116 ARG+ HA 119 VAL HB 5.50 (#peak 809 #SUP 0.88 #QF 0.88)
&rst
ixpk= 809, nxpk= 0, iat=1733,1797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 ARG+ HA 119 VAL HN 4.04 (#peak 123 #SUP 0.73 #QF 0.73)
&rst
ixpk= 123, nxpk= 0, iat=1733,1793, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 116 ARG+ HA 119 VAL QG1 5.50 (#peak 794 #SUP 1.00)
&rst
ixpk= 794, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1799,1800,1801,
&end
#
# 116 ARG+ HA 119 VAL QG2 5.50 (#peak 833 #SUP 1.00)
&rst
ixpk= 833, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1803,1804,1805,
&end
#
# 116 ARG+ HA 119 VAL QQG 4.85 (#peak 794)
&rst
ixpk= 794, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1799,1800,1801,1803,1804,1805,
&end
#
# 116 ARG+ HN 116 ARG+ HD2 4.42 (#peak 851 #SUP 0.94 #QF 0.94)
&rst
ixpk= 851, nxpk= 0, iat=1731,1741, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 116 ARG+ HN 116 ARG+ HD3 4.42 (#peak 848 #SUP 0.93 #QF 0.93)
&rst
ixpk= 848, nxpk= 0, iat=1731,1742, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 116 ARG+ HN 116 ARG+ HG2 4.86 (#peak 454 #SUP 1.00 #QF 0.99)
&rst
ixpk= 454, nxpk= 0, iat=1731,1738, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 116 ARG+ HN 116 ARG+ HG3 4.86 (#peak 455 #SUP 1.00)
&rst
ixpk= 455, nxpk= 0, iat=1731,1739, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 116 ARG+ HN 116 ARG+ QB 3.38 (#peak 453)
&rst
ixpk= 453, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1735,1736,
&end
#
# 116 ARG+ HN 116 ARG+ QD 3.56 (#peak 848)
&rst
ixpk= 848, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1741,1742,
&end
#
# 116 ARG+ HN 116 ARG+ QG 4.06 (#peak 455)
&rst
ixpk= 455, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1738,1739,
&end
#
# 116 ARG+ HN 117 LEU HN 4.19 (#peak 451 #SUP 0.93 #QF 0.93)
&rst
ixpk= 451, nxpk= 0, iat=1731,1755, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 116 ARG+ HN 117 LEU QQD 4.75 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 116 ARG+ QB 116 ARG+ QD 3.13 (#peak 853)
&rst
ixpk= 853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1735,1736,
igr2=1741,1742,
&end
#
# 116 ARG+ QB 117 LEU HN 3.82 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1735,1736,
&end
#
# 117 LEU HA 117 LEU HG 3.83 (#peak 294 #SUP 1.00)
&rst
ixpk= 294, nxpk= 0, iat=1757,1762, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 117 LEU HA 117 LEU QD1 5.39 (#peak 297 #SUP 0.97 #QF 0.72)
&rst
ixpk= 297, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1764,1765,1766,
&end
#
# 117 LEU HA 117 LEU QD2 5.39 (#peak 787 #SUP 0.99 #QF 0.99)
&rst
ixpk= 787, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1768,1769,1770,
&end
#
# 117 LEU HA 117 LEU QQD 4.45 (#peak 297)
&rst
ixpk= 297, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 117 LEU HN 117 LEU HB2 4.06 (#peak 154 #SUP 0.99 #QF 0.99)
&rst
ixpk= 154, nxpk= 0, iat=1755,1759, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 117 LEU HN 117 LEU HB3 4.06 (#peak 157 #SUP 0.92 #QF 0.74)
&rst
ixpk= 157, nxpk= 0, iat=1755,1760, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 117 LEU HN 117 LEU HG 3.62 (#peak 156 #SUP 0.62 #QF 0.62)
&rst
ixpk= 156, nxpk= 0, iat=1755,1762, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 117 LEU HN 117 LEU QB 3.41 (#peak 154)
&rst
ixpk= 154, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1759,1760,
&end
#
# 117 LEU HN 117 LEU QQD 3.56 (#peak 296)
&rst
ixpk= 296, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1764,1765,1766,1768,1769,1770,
&end
#
# 117 LEU HN 118 LEU HB3 4.98 (#peak 155 #SUP 0.76 #QF 0.76)
&rst
ixpk= 155, nxpk= 0, iat=1755,1779, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 117 LEU QQD 118 LEU HN 5.44 (#peak 791)
&rst
ixpk= 791, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 117 LEU QQD 120 ARG+ HN 5.33 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 117 LEU QQD 120 ARG+ QD 4.01 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1764,1765,1766,1768,1769,1770,
igr2=1819,1820,
&end
#
# 117 LEU QQD 120 ARG+ QG 5.28 (#peak 781)
&rst
ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=1764,1765,1766,1768,1769,1770,
igr2=1816,1817,
&end
#
# 117 LEU QQD 126 TRP HH2 5.44 (#peak 788)
&rst
ixpk= 788, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1764,1765,1766,1768,1769,1770,
&end
#
# 118 LEU HA 118 LEU HG 3.71 (#peak 936 #SUP 0.79 #QF 0.79)
&rst
ixpk= 936, nxpk= 0, iat=1776,1781, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 118 LEU HA 118 LEU QD1 3.93 (#peak 223 #SUP 1.00)
&rst
ixpk= 223, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1783,1784,1785,
&end
#
# 118 LEU HA 118 LEU QD2 3.93 (#peak 227 #SUP 1.00)
&rst
ixpk= 227, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1787,1788,1789,
&end
#
# 118 LEU HA 121 ALA HN 4.80 (#peak 701 #SUP 0.86 #QF 0.86)
&rst
ixpk= 701, nxpk= 0, iat=1776,1833, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 118 LEU HA 121 ALA QB 3.85 (#peak 443 #SUP 0.90 #QF 0.87)
&rst
ixpk= 443, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1837,1838,1839,
&end
#
# 118 LEU HB2 119 VAL HN 4.44 (#peak 124 #SUP 0.99 #QF 0.99)
&rst
ixpk= 124, nxpk= 0, iat=1778,1793, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 118 LEU HB3 118 LEU QD1 3.93 (#peak 233 #SUP 0.99 #QF 0.99)
&rst
ixpk= 233, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1783,1784,1785,
&end
#
# 118 LEU HB3 118 LEU QD2 4.03 (#peak 236 #SUP 1.00 #QF 0.44)
&rst
ixpk= 236, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1787,1788,1789,
&end
#
# 118 LEU HB3 119 VAL HN 3.09 (#peak 119 #SUP 0.88 #QF 0.88)
&rst
ixpk= 119, nxpk= 0, iat=1779,1793, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 118 LEU HG 122 GLN HE21 4.80 (#peak 478 #SUP 0.30 #QF 0.30)
&rst
ixpk= 478, nxpk= 0, iat=1781,1855, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 118 LEU HN 118 LEU HB2 3.57 (#peak 542 #SUP 1.00)
&rst
ixpk= 542, nxpk= 0, iat=1774,1778, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 118 LEU HN 118 LEU HB3 2.92 (#peak 203 #SUP 0.81 #QF 0.81)
&rst
ixpk= 203, nxpk= 0, iat=1774,1779, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 118 LEU HN 118 LEU HG 4.64 (#peak 934 #SUP 1.00)
&rst
ixpk= 934, nxpk= 0, iat=1774,1781, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 118 LEU HN 118 LEU QD1 4.17 (#peak 210 #SUP 1.00)
&rst
ixpk= 210, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1783,1784,1785,
&end
#
# 118 LEU HN 118 LEU QD2 4.17 (#peak 214 #SUP 0.91 #QF 0.91)
&rst
ixpk= 214, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1787,1788,1789,
&end
#
# 118 LEU HN 119 VAL HN 4.04 (#peak 113 #SUP 0.99 #QF 0.99)
&rst
ixpk= 113, nxpk= 0, iat=1774,1793, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 118 LEU HN 119 VAL QQG 5.33 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1799,1800,1801,1803,1804,1805,
&end
#
# 118 LEU QD1 119 VAL HA 3.93 (#peak 231 #SUP 0.76 #QF 0.76)
&rst
ixpk= 231, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1783,1784,1785,
&end
#
# 118 LEU QD1 119 VAL HN 3.33 (#peak 116 #SUP 0.57 #QF 0.57)
&rst
ixpk= 116, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1783,1784,1785,
&end
#
# 118 LEU QD1 121 ALA HN 4.66 (#peak 221 #SUP 0.89 #QF 0.89)
&rst
ixpk= 221, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1783,1784,1785,
&end
#
# 118 LEU QD1 122 GLN HE22 3.93 (#peak 219 #SUP 0.82 #QF 0.82)
&rst
ixpk= 219, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1783,1784,1785,
&end
#
# 118 LEU QD1 122 GLN HG2 3.98 (#peak 234 #SUP 0.89 #QF 0.22)
&rst
ixpk= 234, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1783,1784,1785,
&end
#
# 118 LEU QD2 119 VAL HN 5.09 (#peak 208 #SUP 0.99 #QF 0.93)
&rst
ixpk= 208, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1787,1788,1789,
&end
#
# 118 LEU QD2 120 ARG+ HN 5.50 (#peak 125 #SUP 0.95 #QF 0.68)
&rst
ixpk= 125, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1787,1788,1789,
&end
#
# 118 LEU QD2 121 ALA HN 4.17 (#peak 951 #SUP 0.83 #QF 0.83)
&rst
ixpk= 951, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1787,1788,1789,
&end
#
# 118 LEU QD2 122 GLN HE21 5.23 (#peak 467 #SUP 0.87 #QF 0.83)
&rst
ixpk= 467, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1787,1788,1789,
&end
#
# 118 LEU QD2 122 GLN HG2 4.35 (#peak 614 #SUP 0.92 #QF 0.45)
&rst
ixpk= 614, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1787,1788,1789,
&end
#
# 118 LEU QD2 122 GLN HN 4.82 (#peak 222 #SUP 0.87 #QF 0.65)
&rst
ixpk= 222, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1787,1788,1789,
&end
#
# 119 VAL HA 122 GLN HE21 3.70 (#peak 802 #SUP 0.97 #QF 0.91)
&rst
ixpk= 802, nxpk= 0, iat=1795,1855, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 119 VAL HA 122 GLN HG2 3.33 (#peak 622 #SUP 0.72 #QF 0.72)
&rst
ixpk= 622, nxpk= 0, iat=1795,1850, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 119 VAL HA 122 GLN HG3 3.79 (#peak 623 #SUP 0.94 #QF 0.94)
&rst
ixpk= 623, nxpk= 0, iat=1795,1851, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 119 VAL HA 122 GLN HN 4.80 (#peak 462 #SUP 0.97 #QF 0.97)
&rst
ixpk= 462, nxpk= 0, iat=1795,1843, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 119 VAL HA 122 GLN QB 4.41 (#peak 918)
&rst
ixpk= 918, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1847,1848,
&end
#
# 119 VAL HB 120 ARG+ HA 5.50 (#peak 808 #SUP 0.59 #QF 0.59)
&rst
ixpk= 808, nxpk= 0, iat=1797,1811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 VAL HB 120 ARG+ HN 4.10 (#peak 540 #SUP 0.99 #QF 0.99)
&rst
ixpk= 540, nxpk= 0, iat=1797,1809, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 119 VAL HN 119 VAL HB 4.00 (#peak 120 #SUP 1.00)
&rst
ixpk= 120, nxpk= 0, iat=1793,1797, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 VAL HN 119 VAL QG1 4.73 (#peak 118 #SUP 1.00)
&rst
ixpk= 118, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1799,1800,1801,
&end
#
# 119 VAL HN 119 VAL QG2 4.73 (#peak 117 #SUP 1.00)
&rst
ixpk= 117, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1803,1804,1805,
&end
#
# 119 VAL HN 119 VAL QQG 3.96 (#peak 117)
&rst
ixpk= 117, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL HN 120 ARG+ QG 4.89 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1816,1817,
&end
#
# 119 VAL QG1 120 ARG+ HA 5.39 (#peak 795 #SUP 0.89 #QF 0.89)
&rst
ixpk= 795, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1799,1800,1801,
&end
#
# 119 VAL QG1 120 ARG+ HN 4.25 (#peak 127 #SUP 0.93 #QF 0.93)
&rst
ixpk= 127, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1799,1800,1801,
&end
#
# 119 VAL QG2 120 ARG+ HA 5.39 (#peak 243 #SUP 0.85 #QF 0.67)
&rst
ixpk= 243, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1803,1804,1805,
&end
#
# 119 VAL QG2 120 ARG+ HN 4.25 (#peak 126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 126, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1803,1804,1805,
&end
#
# 119 VAL QQG 120 ARG+ HA 4.31 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL QQG 120 ARG+ HN 3.45 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL QQG 121 ALA HN 5.44 (#peak 819)
&rst
ixpk= 819, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL QQG 122 GLN HE21 5.34 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL QQG 122 GLN HE22 5.44 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL QQG 123 GLN HN 4.76 (#peak 488)
&rst
ixpk= 488, nxpk= 0, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1799,1800,1801,1803,1804,1805,
&end
#
# 119 VAL QQG 123 GLN QG 4.85 (#peak 821)
&rst
ixpk= 821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1799,1800,1801,1803,1804,1805,
igr2=1867,1868,
&end
#
# 120 ARG+ HA 120 ARG+ HG2 3.71 (#peak 929 #SUP 0.92 #QF 0.92)
&rst
ixpk= 929, nxpk= 0, iat=1811,1816, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 120 ARG+ HA 120 ARG+ HG3 3.71 (#peak 928 #SUP 0.98 #QF 0.98)
&rst
ixpk= 928, nxpk= 0, iat=1811,1817, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 120 ARG+ HA 120 ARG+ QD 4.66 (#peak 238 #SUP 1.00)
&rst
ixpk= 238, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1819,1820,
&end
#
# 120 ARG+ HA 122 GLN HN 4.80 (#peak 463 #SUP 0.71 #QF 0.71)
&rst
ixpk= 463, nxpk= 0, iat=1811,1843, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 120 ARG+ HA 123 GLN HN 5.39 (#peak 779 #SUP 0.90 #QF 0.90)
&rst
ixpk= 779, nxpk= 0, iat=1811,1860, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 120 ARG+ HA 123 GLN QB 3.86 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1864,1865,
&end
#
# 120 ARG+ HN 120 ARG+ HG2 3.94 (#peak 926 #SUP 0.83 #QF 0.83)
&rst
ixpk= 926, nxpk= 0, iat=1809,1816, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 120 ARG+ HN 120 ARG+ HG3 3.94 (#peak 927 #SUP 0.97 #QF 0.97)
&rst
ixpk= 927, nxpk= 0, iat=1809,1817, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 120 ARG+ HN 120 ARG+ QB 3.85 (#peak 919 #SUP 1.00 #QF 0.99)
&rst
ixpk= 919, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1813,1814,
&end
#
# 120 ARG+ HN 120 ARG+ QD 4.12 (#peak 130 #SUP 0.99 #QF 0.99)
&rst
ixpk= 130, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1819,1820,
&end
#
# 120 ARG+ HN 120 ARG+ QG 3.40 (#peak 927)
&rst
ixpk= 927, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1816,1817,
&end
#
# 120 ARG+ HN 121 ALA HN 3.62 (#peak 221 #SUP 0.98 #QF 0.72)
&rst
ixpk= 221, nxpk= 0, iat=1809,1833, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 120 ARG+ HN 121 ALA QB 5.50 (#peak 125 #SUP 0.95 #QF 0.68)
&rst
ixpk= 125, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1837,1838,1839,
&end
#
# 120 ARG+ QB 121 ALA HN 3.80 (#peak 920 #SUP 0.98 #QF 0.98)
&rst
ixpk= 920, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1813,1814,
&end
#
# 120 ARG+ QB 126 TRP HH2 4.44 (#peak 593 #SUP 0.95 #QF 0.93)
&rst
ixpk= 593, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1813,1814,
&end
#
# 120 ARG+ QB 126 TRP HZ2 5.50 (#peak 18 #SUP 0.81 #QF 0.75)
&rst
ixpk= 18, nxpk= 0, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1813,1814,
&end
#
# 120 ARG+ QD 121 ALA HN 4.94 (#peak 921 #SUP 0.98 #QF 0.98)
&rst
ixpk= 921, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1819,1820,
&end
#
# 120 ARG+ QD 126 TRP HH2 5.50 (#peak 26 #SUP 0.96 #QF 0.96)
&rst
ixpk= 26, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1819,1820,
&end
#
# 121 ALA HA 126 TRP HZ2 4.39 (#peak 450 #SUP 0.99 #QF 0.99)
&rst
ixpk= 450, nxpk= 0, iat=1835,1921, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 121 ALA HN 121 ALA QB 3.34 (#peak 438 #SUP 1.00)
&rst
ixpk= 438, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1837,1838,1839,
&end
#
# 121 ALA HN 122 GLN HG2 4.03 (#peak 217 #SUP 0.55 #QF 0.55)
&rst
ixpk= 217, nxpk= 0, iat=1833,1850, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 121 ALA HN 122 GLN HN 3.85 (#peak 221 #SUP 0.98 #QF 0.72)
&rst
ixpk= 221, nxpk= 0, iat=1833,1843, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 121 ALA QB 122 GLN HA 3.96 (#peak 444 #SUP 0.98 #QF 0.98)
&rst
ixpk= 444, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1837,1838,1839,
&end
#
# 121 ALA QB 122 GLN HG2 4.69 (#peak 614 #SUP 0.92 #QF 0.45)
&rst
ixpk= 614, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1837,1838,1839,
&end
#
# 121 ALA QB 122 GLN HN 3.34 (#peak 439 #SUP 0.93 #QF 0.93)
&rst
ixpk= 439, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1837,1838,1839,
&end
#
# 121 ALA QB 123 GLN HN 4.80 (#peak 489 #SUP 0.90 #QF 0.90)
&rst
ixpk= 489, nxpk= 0, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1837,1838,1839,
&end
#
# 122 GLN HA 122 GLN HG2 4.05 (#peak 616 #SUP 0.99 #QF 0.99)
&rst
ixpk= 616, nxpk= 0, iat=1845,1850, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 122 GLN HA 122 GLN HG3 3.83 (#peak 604 #SUP 0.87 #QF 0.87)
&rst
ixpk= 604, nxpk= 0, iat=1845,1851, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 122 GLN HB2 122 GLN HE21 4.78 (#peak 613 #SUP 0.95 #QF 0.83)
&rst
ixpk= 613, nxpk= 0, iat=1847,1855, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 122 GLN HB2 122 GLN HE22 5.19 (#peak 613 #SUP 0.95 #QF 0.83)
&rst
ixpk= 613, nxpk= 0, iat=1847,1856, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 122 GLN HB2 123 GLN HN 4.50 (#peak 608 #SUP 0.86 #QF 0.86)
&rst
ixpk= 608, nxpk= 0, iat=1847,1860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 GLN HB3 122 GLN HE21 4.78 (#peak 612 #SUP 0.94 #QF 0.77)
&rst
ixpk= 612, nxpk= 0, iat=1848,1855, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 122 GLN HB3 122 GLN HE22 5.19 (#peak 475 #SUP 0.96 #QF 0.96)
&rst
ixpk= 475, nxpk= 0, iat=1848,1856, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 122 GLN HB3 123 GLN HN 4.50 (#peak 611 #SUP 1.00)
&rst
ixpk= 611, nxpk= 0, iat=1848,1860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 GLN HG3 123 GLN HA 4.21 (#peak 625 #SUP 0.61 #QF 0.61)
&rst
ixpk= 625, nxpk= 0, iat=1851,1862, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 122 GLN HN 122 GLN HB2 3.83 (#peak 610 #SUP 0.95 #QF 0.95)
&rst
ixpk= 610, nxpk= 0, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 122 GLN HN 122 GLN HB3 3.83 (#peak 609 #SUP 0.97 #QF 0.97)
&rst
ixpk= 609, nxpk= 0, iat=1843,1848, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 122 GLN HN 122 GLN HE21 5.50 (#peak 473 #SUP 0.96 #QF 0.28)
&rst
ixpk= 473, nxpk= 0, iat=1843,1855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HN 122 GLN HG2 4.39 (#peak 619 #SUP 0.98 #QF 0.98)
&rst
ixpk= 619, nxpk= 0, iat=1843,1850, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 122 GLN HN 122 GLN HG3 4.53 (#peak 621 #SUP 1.00)
&rst
ixpk= 621, nxpk= 0, iat=1843,1851, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 122 GLN HN 122 GLN QB 3.30 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1847,1848,
&end
#
# 122 GLN HN 123 GLN HN 4.80 (#peak 465 #SUP 0.99 #QF 0.99)
&rst
ixpk= 465, nxpk= 0, iat=1843,1860, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 122 GLN QB 122 GLN HE21 4.21 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1847,1848,
&end
#
# 122 GLN QB 122 GLN HE22 4.43 (#peak 475)
&rst
ixpk= 475, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1847,1848,
&end
#
# 122 GLN QB 123 GLN HN 3.90 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1847,1848,
&end
#
# 123 GLN HA 123 GLN QE2 4.33 (#peak 583)
&rst
ixpk= 583, nxpk= 0, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1872,1873,
&end
#
# 123 GLN HA 124 GLN QG 4.59 (#peak 642)
&rst
ixpk= 642, nxpk= 0, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1884,1885,
&end
#
# 123 GLN HB2 124 GLN HN 4.82 (#peak 494 #SUP 0.97 #QF 0.40)
&rst
ixpk= 494, nxpk= 0, iat=1864,1877, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 123 GLN HB3 124 GLN HN 4.82 (#peak 494 #SUP 0.97 #QF 0.40)
&rst
ixpk= 494, nxpk= 0, iat=1865,1877, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 123 GLN HN 123 GLN HG2 5.28 (#peak 484 #SUP 0.97 #QF 0.97)
&rst
ixpk= 484, nxpk= 0, iat=1860,1867, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 123 GLN HN 123 GLN HG3 5.28 (#peak 485 #SUP 1.00 #QF 0.99)
&rst
ixpk= 485, nxpk= 0, iat=1860,1868, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 123 GLN HN 123 GLN QG 4.46 (#peak 484)
&rst
ixpk= 484, nxpk= 0, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1867,1868,
&end
#
# 123 GLN HN 124 GLN HN 4.80 (#peak 480 #SUP 0.99 #QF 0.99)
&rst
ixpk= 480, nxpk= 0, iat=1860,1877, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 123 GLN HN 124 GLN QG 4.01 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1884,1885,
&end
#
# 123 GLN HN 125 ASN HN 5.40 (#peak 479 #SUP 0.63 #QF 0.63)
&rst
ixpk= 479, nxpk= 0, iat=1860,1894, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 123 GLN QB 124 GLN HN 4.05 (#peak 494)
&rst
ixpk= 494, nxpk= 0, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1864,1865,
&end
#
# 123 GLN QB 125 ASN HN 5.29 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1864,1865,
&end
#
# 123 GLN QG 123 GLN QE2 3.14 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1867,1868,
igr2=1872,1873,
&end
#
# 124 GLN HB2 126 TRP HD1 5.50 (#peak 31 #SUP 0.99 #QF 0.99)
&rst
ixpk= 31, nxpk= 0, iat=1881,1916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB3 126 TRP HD1 5.50 (#peak 30 #SUP 1.00)
&rst
ixpk= 30, nxpk= 0, iat=1882,1916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HN 124 GLN HG2 3.66 (#peak 677 #SUP 0.84 #QF 0.84)
&rst
ixpk= 677, nxpk= 0, iat=1877,1884, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 124 GLN HN 124 GLN HG3 3.66 (#peak 680 #SUP 0.79 #QF 0.79)
&rst
ixpk= 680, nxpk= 0, iat=1877,1885, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 124 GLN HN 124 GLN QB 3.50 (#peak 673)
&rst
ixpk= 673, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1881,1882,
&end
#
# 124 GLN HN 125 ASN HN 3.61 (#peak 492 #SUP 0.73 #QF 0.73)
&rst
ixpk= 492, nxpk= 0, iat=1877,1894, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 124 GLN QB 124 GLN QE2 3.43 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1881,1882,
igr2=1889,1890,
&end
#
# 124 GLN QB 126 TRP HE1 3.29 (#peak 12)
&rst
ixpk= 12, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1881,1882,
&end
#
# 124 GLN QG 124 GLN QE2 3.18 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1884,1885,
igr2=1889,1890,
&end
#
# 124 GLN QG 126 TRP HE1 3.48 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1884,1885,
&end
#
# 125 ASN QB 125 ASN QD2 3.06 (#peak 983)
&rst
ixpk= 983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1898,1899,
igr2=1903,1904,
&end
#
# 126 TRP HB2 127 GLY HN 4.20 (#peak 501 #SUP 0.86 #QF 0.86)
&rst
ixpk= 501, nxpk= 0, iat=1912,1932, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 126 TRP HB3 127 GLY HN 4.20 (#peak 502 #SUP 0.68 #QF 0.68)
&rst
ixpk= 502, nxpk= 0, iat=1913,1932, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 126 TRP HN 126 TRP HD1 3.67 (#peak 222 #SUP 0.53 #QF 0.23)
&rst
ixpk= 222, nxpk= 0, iat=1908,1916, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 126 TRP HN 126 TRP QB 3.48 (#peak 961)
&rst
ixpk= 961, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1912,1913,
&end
#
# 126 TRP HN 127 GLY HN 3.36 (#peak 499 #SUP 0.61 #QF 0.61)
&rst
ixpk= 499, nxpk= 0, iat=1908,1932, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 126 TRP QB 127 GLY HN 3.52 (#peak 501)
&rst
ixpk= 501, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1912,1913,
&end
#
# 127 GLY HN 128 THR HN 3.36 (#peak 500 #SUP 0.35 #QF 0.35)
&rst
ixpk= 500, nxpk= 0, iat=1932,1939, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 128 THR HA 128 THR QG2 3.62 (#peak 377 #SUP 1.00)
&rst
ixpk= 377, nxpk= 0, iat=1941, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1945,1946,1947,
&end
#
# 128 THR HN 128 THR QG2 3.44 (#peak 374 #SUP 0.69 #QF 0.69)
&rst
ixpk= 374, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1945,1946,1947,
&end
Contact the webmaster for help, if required. Thursday, May 2, 2024 2:37:45 AM GMT (wattos1)