NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
555738 |
2lto   |
18490 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 576 GLU H 591 PHE HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 397, 615, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 591 PHE HA 591 PHE QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 621, 629,
&end
#
# 575 ALA HA 591 PHE HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= 389, 615, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 591 PHE HA 592 ILE HG12 4.40
&rst
ixpk= 0, nxpk= 0, iat= 615, 643, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 575 ALA QB 591 PHE HA 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 391, 392, 393,
&end
#
# 602 LEU QB 603 SER HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 796, 797,
&end
#
# 601 LEU QQD 603 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= 779, 813, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 583 SER HA 583 SER QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 504, 505,
&end
#
# 565 LEU HA 566 TYR H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 197, 214, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 565 LEU HA 573 TYR H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 197, 342, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 565 LEU HA 573 TYR QE 5.36
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 352, 357,
&end
#
# 565 LEU HA 572 PHE QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 330, 338,
&end
#
# 565 LEU HA 572 PHE HA 3.37
&rst
ixpk= 0, nxpk= 0, iat= 197, 324, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 590 LYS HA 591 PHE QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 621, 629,
&end
#
# 590 LYS HA 590 LYS HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 593, 598, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 590 LYS HA 590 LYS HG3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 593, 599, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 580 LEU HA 587 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 553, 554, 555,
&end
#
# 563 PHE HB3 564 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 189, 190, 191,
&end
#
# 590 LYS HE3 596 ASN HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= 605, 694, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 590 LYS HG2 590 LYS HE3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 598, 605, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 563 PHE HB2 606 LYS H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 169, 855, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 563 PHE H 563 PHE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 590 LYS HE2 596 ASN HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= 604, 694, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 590 LYS HB2 590 LYS HE2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 595, 604, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 590 LYS HG2 590 LYS HE2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 598, 604, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 571 LYS HA 573 TYR QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 352, 357,
&end
#
# 571 LYS HA 572 PHE QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 330, 338,
&end
#
# 571 LYS HA 572 PHE QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 332, 336,
&end
#
# 571 LYS HA 572 PHE HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 302, 326, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 575 ALA HA 591 PHE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 389, 613, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 575 ALA HA 592 ILE H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 389, 633, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 575 ALA HA 576 GLU QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 401, 402,
&end
#
# 575 ALA HA 592 ILE HG12 3.82
&rst
ixpk= 0, nxpk= 0, iat= 389, 643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 570 ASN H 570 ASN HA 2.91
&rst
ixpk= 0, nxpk= 0, iat= 286, 288, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 570 ASN HA 571 LYS H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 288, 300, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 569 ASP H 570 ASN HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 570 ASN HA 571 LYS HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 288, 302, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 609 LEU HA 609 LEU QB 2.84
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 914, 915,
&end
#
# 600 VAL HA 601 LEU H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 759, 773, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 564 ALA HA 605 ILE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 187, 836, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 564 ALA HA 572 PHE QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 330, 338,
&end
#
# 564 ALA HA 605 ILE HA 3.22
&rst
ixpk= 0, nxpk= 0, iat= 187, 838, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 564 ALA HA 565 LEU HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 187, 199, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 599 GLU HA 600 VAL H 2.89
&rst
ixpk= 0, nxpk= 0, iat= 744, 757, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 587 ALA H 599 GLU HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= 549, 744, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 588 VAL HA 599 GLU HA 3.21
&rst
ixpk= 0, nxpk= 0, iat= 561, 744, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 599 GLU HA 599 GLU QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 749, 750,
&end
#
# 599 GLU HA 599 GLU QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 746, 747,
&end
#
# 588 VAL QG2 599 GLU HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 569, 570, 571,
&end
#
# 589 VAL QG2 599 GLU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 585, 586, 587,
&end
#
# 566 TYR HA 573 TYR QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 350, 359,
&end
#
# 569 ASP HA 569 ASP HB3 2.90
&rst
ixpk= 0, nxpk= 0, iat= 276, 279, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 569 ASP HA 570 ASN HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 569 ASP HA 569 ASP HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 276, 278, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 568 GLU HB2 569 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 579 ALA HA 580 LEU H 2.92
&rst
ixpk= 0, nxpk= 0, iat= 445, 453, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 557 LYS HA 579 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 558 PRO HB2 579 ALA HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 113, 445, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 579 ALA HA 580 LEU HG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 445, 460, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 577 VAL QG1 579 ALA HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 418, 419, 420,
&end
#
# 560 ASP HA 577 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 129, 416, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 562 CYS H 576 GLU HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= 154, 399, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 597 TYR HA 598 GLU HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 708, 729, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 598 GLU HA 599 GLU QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 746, 747,
&end
#
# 598 GLU HA 598 GLU QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 734, 735,
&end
#
# 608 ILE HA 609 LEU H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 893, 910, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 563 PHE QD 608 ILE HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 173, 181,
&end
#
# 563 PHE QE 608 ILE HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 175, 179,
&end
#
# 562 CYS HA 608 ILE HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 156, 893, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 608 ILE HA 608 ILE QG1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 901, 902,
&end
#
# 608 ILE HA 608 ILE QG2 3.03
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 897, 898, 899,
&end
#
# 557 LYS H 580 LEU HG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 84, 460, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 557 LYS HA 580 LEU HG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 86, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 577 VAL QG1 580 LEU HG 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 418, 419, 420,
&end
#
# 578 GLU QG 579 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 435, 436,
&end
#
# 578 GLU QG 588 VAL HB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 435, 436,
&end
#
# 578 GLU QG 579 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 435, 436,
igr2= 447, 448, 449,
&end
#
# 568 GLU HB2 570 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 578 GLU H 588 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 565, 566, 567,
&end
#
# 588 VAL QG2 600 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 569, 570, 571,
&end
#
# 588 VAL QG1 589 VAL H 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 565, 566, 567,
&end
#
# 588 VAL QG1 598 GLU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 565, 566, 567,
&end
#
# 588 VAL H 588 VAL QG2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 569, 570, 571,
&end
#
# 588 VAL QG1 598 GLU HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 565, 566, 567,
&end
#
# 588 VAL HA 588 VAL QG1 2.92
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 565, 566, 567,
&end
#
# 588 VAL HA 588 VAL QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 569, 570, 571,
&end
#
# 588 VAL QG1 590 LYS HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 565, 566, 567,
&end
#
# 588 VAL QG1 597 TYR HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 565, 566, 567,
&end
#
# 578 GLU H 589 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 581, 582, 583,
&end
#
# 589 VAL H 589 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 581, 582, 583,
&end
#
# 577 VAL H 589 VAL QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 581, 582, 583,
&end
#
# 589 VAL QG1 590 LYS H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 581, 582, 583,
&end
#
# 576 GLU H 589 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 581, 582, 583,
&end
#
# 579 ALA H 589 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 581, 582, 583,
&end
#
# 589 VAL HA 589 VAL QG1 2.98
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 581, 582, 583,
&end
#
# 588 VAL HA 589 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 581, 582, 583,
&end
#
# 577 VAL HA 589 VAL QG1 3.03
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 581, 582, 583,
&end
#
# 577 VAL HB 589 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 581, 582, 583,
&end
#
# 589 VAL QG1 600 VAL HB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 581, 582, 583,
&end
#
# 587 ALA QB 589 VAL QG1 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 553, 554, 555,
igr2= 581, 582, 583,
&end
#
# 589 VAL QG1 605 ILE QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 581, 582, 583,
igr2= 842, 843, 844,
&end
#
# 589 VAL QG1 605 ILE QD1 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 581, 582, 583,
igr2= 849, 850, 851,
&end
#
# 589 VAL QG2 598 GLU QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 585, 586, 587,
igr2= 731, 732,
&end
#
# 590 LYS HB2 597 TYR QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 716, 721,
&end
#
# 576 GLU QB 590 LYS HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 401, 402,
&end
#
# 576 GLU H 590 LYS HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 397, 596, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 607 PRO HB3 608 ILE H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 885, 891, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 556 TRP HZ2 562 CYS HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 73, 158, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 574 ARG H 592 ILE HG13 5.26
&rst
ixpk= 0, nxpk= 0, iat= 363, 644, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 575 ALA HA 592 ILE HG13 3.66
&rst
ixpk= 0, nxpk= 0, iat= 389, 644, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 591 PHE HA 592 ILE HG13 4.20
&rst
ixpk= 0, nxpk= 0, iat= 615, 644, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 592 ILE QG2 592 ILE HG13 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 639, 640, 641,
&end
#
# 592 ILE H 592 ILE HG12 3.85
&rst
ixpk= 0, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 558 PRO HB2 559 GLY H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 113, 120, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 559 GLY H 577 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 120, 416, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 576 GLU HA 577 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 558 PRO HB2 578 GLU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 113, 430, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 560 ASP QB 577 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 131, 132,
&end
#
# 561 GLU QB 608 ILE QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 143, 144,
igr2= 901, 902,
&end
#
# 561 GLU QB 592 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 143, 144,
igr2= 646, 647, 648,
&end
#
# 561 GLU QB 608 ILE QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 143, 144,
igr2= 904, 905, 906,
&end
#
# 566 TYR H 566 TYR HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 214, 218, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 569 ASP H 570 ASN HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 274, 290, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 605 ILE HB 606 LYS H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 840, 855, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 605 ILE H 605 ILE HB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 564 ALA HA 605 ILE HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 187, 840, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 602 LEU HA 605 ILE HB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 794, 840, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 562 CYS HB3 605 ILE HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 159, 840, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 602 LEU QB 605 ILE HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 796, 797,
&end
#
# 605 ILE HB 605 ILE QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 849, 850, 851,
&end
#
# 568 GLU HA 568 GLU HB2 2.85
&rst
ixpk= 0, nxpk= 0, iat= 261, 263, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 561 GLU HA 561 GLU QG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 146, 147,
&end
#
# 560 ASP HA 561 GLU QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 146, 147,
&end
#
# 561 GLU QB 561 GLU QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 143, 144,
igr2= 146, 147,
&end
#
# 596 ASN QB 597 TYR H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 696, 697,
&end
#
# 565 LEU H 604 ASN HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 195, 826, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 604 ASN HB2 605 ILE H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 562 CYS HA 608 ILE HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 156, 895, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 592 ILE H 592 ILE HB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 633, 637, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 575 ALA HA 592 ILE HB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 389, 637, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 591 PHE HA 592 ILE HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 615, 637, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 565 LEU HB3 605 ILE H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 200, 836, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 585 MET QE 586 THR HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 529, 530, 531,
&end
#
# 592 ILE H 592 ILE QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 646, 647, 648,
&end
#
# 575 ALA HA 592 ILE QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 646, 647, 648,
&end
#
# 561 GLU QG 592 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 146, 147,
igr2= 646, 647, 648,
&end
#
# 576 GLU QG 592 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 404, 405,
igr2= 646, 647, 648,
&end
#
# 576 GLU QB 592 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 401, 402,
igr2= 646, 647, 648,
&end
#
# 562 CYS H 608 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 904, 905, 906,
&end
#
# 562 CYS HA 608 ILE QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 904, 905, 906,
&end
#
# 574 ARG HA 608 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 904, 905, 906,
&end
#
# 608 ILE HA 608 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 904, 905, 906,
&end
#
# 561 GLU QG 608 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 146, 147,
igr2= 904, 905, 906,
&end
#
# 608 ILE HB 608 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 904, 905, 906,
&end
#
# 608 ILE QG2 608 ILE QD1 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 897, 898, 899,
igr2= 904, 905, 906,
&end
#
# 562 CYS H 608 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 897, 898, 899,
&end
#
# 608 ILE H 608 ILE QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 897, 898, 899,
&end
#
# 608 ILE QG2 609 LEU H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 897, 898, 899,
&end
#
# 563 PHE QE 608 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 175, 179,
igr2= 897, 898, 899,
&end
#
# 562 CYS HA 608 ILE QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 897, 898, 899,
&end
#
# 608 ILE QG2 609 LEU HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 897, 898, 899,
&end
#
# 561 GLU QG 608 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 146, 147,
igr2= 897, 898, 899,
&end
#
# 608 ILE QG2 609 LEU QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 897, 898, 899,
igr2= 914, 915,
&end
#
# 592 ILE QG2 593 ASP H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 639, 640, 641,
&end
#
# 576 GLU H 592 ILE QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 639, 640, 641,
&end
#
# 592 ILE H 592 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 639, 640, 641,
&end
#
# 592 ILE HA 592 ILE QG2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 639, 640, 641,
&end
#
# 605 ILE QG2 606 LYS H 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 842, 843, 844,
&end
#
# 589 VAL QG2 598 GLU H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 585, 586, 587,
&end
#
# 589 VAL QG2 590 LYS H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 585, 586, 587,
&end
#
# 605 ILE H 605 ILE QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 842, 843, 844,
&end
#
# 556 TRP HZ2 605 ILE QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 842, 843, 844,
&end
#
# 556 TRP HH2 605 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 842, 843, 844,
&end
#
# 564 ALA HA 605 ILE QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 842, 843, 844,
&end
#
# 605 ILE HA 605 ILE QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 842, 843, 844,
&end
#
# 588 VAL HA 589 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 585, 586, 587,
&end
#
# 562 CYS HB2 605 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 842, 843, 844,
&end
#
# 562 CYS HB3 605 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 842, 843, 844,
&end
#
# 589 VAL QG2 600 VAL HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 585, 586, 587,
&end
#
# 589 VAL QG2 598 GLU QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 585, 586, 587,
igr2= 734, 735,
&end
#
# 564 ALA QB 589 VAL QG2 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 189, 190, 191,
igr2= 585, 586, 587,
&end
#
# 605 ILE QG2 605 ILE QD1 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 842, 843, 844,
igr2= 849, 850, 851,
&end
#
# 605 ILE H 605 ILE QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 846, 847,
&end
#
# 556 TRP HZ2 605 ILE QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 846, 847,
&end
#
# 602 LEU HA 605 ILE QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 846, 847,
&end
#
# 605 ILE QG2 605 ILE QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 842, 843, 844,
igr2= 846, 847,
&end
#
# 562 CYS HA 608 ILE QG1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 901, 902,
&end
#
# 571 LYS QD 572 PHE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 310, 311,
&end
#
# 574 ARG QB 592 ILE HG12 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 367, 368,
&end
#
# 574 ARG QB 592 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 367, 368,
igr2= 646, 647, 648,
&end
#
# 574 ARG QB 608 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 367, 368,
igr2= 904, 905, 906,
&end
#
# 578 GLU QB 597 TYR QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 432, 433,
igr2= 716, 721,
&end
#
# 588 VAL HA 599 GLU QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 746, 747,
&end
#
# 574 ARG QB 574 ARG QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 367, 368,
igr2= 373, 374,
&end
#
# 574 ARG QB 574 ARG QG 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 367, 368,
igr2= 370, 371,
&end
#
# 578 GLU QB 579 ALA QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 432, 433,
igr2= 447, 448, 449,
&end
#
# 578 GLU QB 588 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 432, 433,
igr2= 565, 566, 567,
&end
#
# 578 GLU H 589 VAL HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 428, 579, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 575 ALA QB 589 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 391, 392, 393,
&end
#
# 576 GLU QB 577 VAL H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 401, 402,
&end
#
# 576 GLU QB 592 ILE HG12 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 401, 402,
&end
#
# 576 GLU QB 590 LYS HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 401, 402,
&end
#
# 600 VAL H 600 VAL HB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 757, 761, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 576 GLU QG 577 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 404, 405,
&end
#
# 562 CYS H 576 GLU QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 404, 405,
&end
#
# 576 GLU H 576 GLU QG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 404, 405,
&end
#
# 576 GLU HA 576 GLU QG 3.24
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 404, 405,
&end
#
# 576 GLU QB 576 GLU QG 2.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 401, 402,
igr2= 404, 405,
&end
#
# 576 GLU QG 592 ILE HG13 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 404, 405,
&end
#
# 576 GLU QG 592 ILE QG2 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 404, 405,
igr2= 639, 640, 641,
&end
#
# 600 VAL HB 605 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 849, 850, 851,
&end
#
# 607 PRO HB2 608 ILE HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 884, 893, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 585 MET H 585 MET QG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 525, 526,
&end
#
# 585 MET HA 585 MET QG 3.69
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 525, 526,
&end
#
# 585 MET QG 586 THR HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 525, 526,
&end
#
# 585 MET QG 585 MET QE 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 525, 526,
igr2= 529, 530, 531,
&end
#
# 556 TRP HB2 602 LEU QQD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 64, 798, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 559 GLY HA2 560 ASP QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 131, 132,
&end
#
# 556 TRP HD1 580 LEU QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 457, 458,
&end
#
# 565 LEU HB2 605 ILE H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 199, 836, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 608 ILE QG1 609 LEU QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 901, 902,
igr2= 914, 915,
&end
#
# 595 GLY HA2 596 ASN HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 687, 694, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 595 GLY HA3 596 ASN HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 590 LYS HG2 595 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 598, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 559 GLY HA2 576 GLU QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 401, 402,
&end
#
# 558 PRO HB2 559 GLY HA2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 113, 122, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 559 GLY HA2 577 VAL HB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 122, 416, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 556 TRP HD1 602 LEU HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 68, 794, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 601 LEU HA 602 LEU HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 775, 794, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 602 LEU HA 602 LEU QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 796, 797,
&end
#
# 602 LEU HA 602 LEU HG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 587 ALA QB 602 LEU HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 553, 554, 555,
&end
#
# 602 LEU HA 605 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 842, 843, 844,
&end
#
# 602 LEU HA 605 ILE QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 849, 850, 851,
&end
#
# 567 TRP HA 570 ASN H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 237, 286, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 566 TYR HA 567 TRP HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 216, 237, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 586 THR HA 587 ALA HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 537, 551, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 567 TRP HA 567 TRP HB2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 567 TRP HA 567 TRP HB3 2.94
&rst
ixpk= 0, nxpk= 0, iat= 237, 240, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 567 TRP HA 568 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 586 THR HA 601 LEU QQD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 537, 779, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 565 LEU HG 567 TRP HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 202, 237, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 562 CYS H 574 ARG HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 154, 365, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 565 LEU HB2 605 ILE HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 199, 838, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 607 PRO HA 608 ILE HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 887, 893, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 607 PRO HA 608 ILE HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 887, 895, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 597 TYR HA 598 GLU H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 708, 727, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 596 ASN HA 597 TYR HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 694, 708, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 590 LYS HA 597 TYR HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= 593, 708, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 588 VAL QG1 597 TYR HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 565, 566, 567,
&end
#
# 563 PHE HA 573 TYR H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 167, 342, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 563 PHE HA 564 ALA QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 189, 190, 191,
&end
#
# 563 PHE HA 575 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 391, 392, 393,
&end
#
# 578 GLU H 589 VAL HA 3.32
&rst
ixpk= 0, nxpk= 0, iat= 428, 577, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 588 VAL HB 589 VAL HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 563, 577, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 577 VAL QG2 589 VAL HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 422, 423, 424,
&end
#
# 589 VAL HA 589 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 585, 586, 587,
&end
#
# 573 TYR HA 574 ARG H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 344, 363, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 563 PHE QD 573 TYR HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 173, 181,
&end
#
# 563 PHE QE 573 TYR HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 175, 179,
&end
#
# 573 TYR HA 574 ARG HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 344, 365, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 573 TYR HA 574 ARG QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 367, 368,
&end
#
# 586 THR HB 587 ALA H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 539, 549, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 586 THR HB 599 GLU HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= 539, 744, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 586 THR HB 599 GLU QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 749, 750,
&end
#
# 586 THR HB 599 GLU QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 746, 747,
&end
#
# 592 ILE HA 592 ILE HG13 3.75
&rst
ixpk= 0, nxpk= 0, iat= 635, 644, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 592 ILE HA 592 ILE HG12 3.77
&rst
ixpk= 0, nxpk= 0, iat= 635, 643, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 590 LYS HG2 592 ILE HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 598, 635, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 577 VAL HA 578 GLU H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 577 VAL HA 579 ALA H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 414, 443, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 577 VAL HA 589 VAL HA 3.36
&rst
ixpk= 0, nxpk= 0, iat= 414, 577, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 577 VAL HA 578 GLU HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 577 VAL HA 589 VAL HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 414, 579, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 577 VAL HA 587 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 553, 554, 555,
&end
#
# 558 PRO HA 559 GLY H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 558 PRO HA 560 ASP H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 558 PRO HA 578 GLU HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 116, 430, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 558 PRO HA 580 LEU HG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 116, 460, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 594 TYR HA 594 TYR QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 672, 681,
&end
#
# 591 PHE HA 594 TYR QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 672, 681,
&end
#
# 567 TRP HH2 568 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 565 LEU H 565 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 208, 209, 210,
&end
#
# 565 LEU HB2 565 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 204, 205, 206,
&end
#
# 565 LEU HB2 565 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 208, 209, 210,
&end
#
# 565 LEU QD1 600 VAL QQG 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 204, 205, 206,
&end
#
# 565 LEU QD2 600 VAL QQG 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 208, 209, 210,
&end
#
# 556 TRP HZ2 605 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 849, 850, 851,
&end
#
# 605 ILE HA 605 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 849, 850, 851,
&end
#
# 602 LEU QB 605 ILE QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 796, 797,
igr2= 849, 850, 851,
&end
#
# 587 ALA QB 605 ILE QD1 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 553, 554, 555,
igr2= 849, 850, 851,
&end
#
# 578 GLU H 579 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 447, 448, 449,
&end
#
# 579 ALA QB 580 LEU H 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 447, 448, 449,
&end
#
# 579 ALA QB 588 VAL H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 447, 448, 449,
&end
#
# 579 ALA QB 581 HIS H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 447, 448, 449,
&end
#
# 579 ALA H 579 ALA QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 447, 448, 449,
&end
#
# 579 ALA QB 587 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 447, 448, 449,
&end
#
# 579 ALA QB 588 VAL HB 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 447, 448, 449,
&end
#
# 579 ALA QB 588 VAL QG2 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 447, 448, 449,
igr2= 569, 570, 571,
&end
#
# 587 ALA QB 600 VAL H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 553, 554, 555,
&end
#
# 600 VAL H 600 VAL QQG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 587 ALA H 587 ALA QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 553, 554, 555,
&end
#
# 587 ALA QB 588 VAL H 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 553, 554, 555,
&end
#
# 600 VAL QQG 604 ASN H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 760, 822, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 581 HIS H 587 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 553, 554, 555,
&end
#
# 565 LEU H 600 VAL QQG 3.61
&rst
ixpk= 0, nxpk= 0, iat= 195, 760, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 599 GLU HA 600 VAL QQG 3.86
&rst
ixpk= 0, nxpk= 0, iat= 744, 760, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 600 VAL QQG 605 ILE HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 760, 838, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 600 VAL HA 600 VAL QQG 3.07
&rst
ixpk= 0, nxpk= 0, iat= 759, 760, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 600 VAL QQG 601 LEU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 760, 775, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 600 VAL QQG 604 ASN HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 760, 826, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 600 VAL QQG 604 ASN HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 760, 827, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 598 GLU QB 600 VAL QQG 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 731, 732,
&end
#
# 580 LEU QB 587 ALA QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 457, 458,
igr2= 553, 554, 555,
&end
#
# 600 VAL QQG 605 ILE QG1 2.88
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 846, 847,
&end
#
# 587 ALA QB 605 ILE QG1 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 553, 554, 555,
igr2= 846, 847,
&end
#
# 589 VAL QG2 600 VAL QQG 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 585, 586, 587,
&end
#
# 564 ALA H 564 ALA QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 189, 190, 191,
&end
#
# 563 PHE H 564 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 189, 190, 191,
&end
#
# 564 ALA QB 605 ILE HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 189, 190, 191,
&end
#
# 564 ALA QB 605 ILE QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 189, 190, 191,
igr2= 842, 843, 844,
&end
#
# 585 MET HA 601 LEU QQD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 520, 779, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 585 MET QB 601 LEU QQD 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 522, 523,
&end
#
# 601 LEU QQD 602 LEU HG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 779, 799, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 565 LEU H 565 LEU HG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 565 LEU HG 604 ASN HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 202, 824, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 565 LEU HG 570 ASN HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 202, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 556 TRP HE1 602 LEU QQD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 70, 798, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 587 ALA H 602 LEU QQD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 549, 798, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 588 VAL H 602 LEU QQD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 559, 798, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, &end
#
# 602 LEU H 602 LEU QQD 3.75
&rst
ixpk= 0, nxpk= 0, iat= 792, 798, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 556 TRP H 602 LEU QQD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 60, 798, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 556 TRP HD1 602 LEU QQD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 68, 798, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 602 LEU HA 602 LEU QQD 2.87
&rst
ixpk= 0, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 602 LEU QB 602 LEU QQD 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 796, 797,
&end
#
# 602 LEU QQD 605 ILE QD1 2.90
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 849, 850, 851,
&end
#
# 577 VAL QG2 578 GLU H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 422, 423, 424,
&end
#
# 577 VAL H 577 VAL QG2 2.95
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 422, 423, 424,
&end
#
# 562 CYS H 577 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 422, 423, 424,
&end
#
# 560 ASP H 577 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 422, 423, 424,
&end
#
# 556 TRP HZ2 577 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 422, 423, 424,
&end
#
# 576 GLU HA 577 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 560 ASP HA 577 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 422, 423, 424,
&end
#
# 558 PRO HA 577 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 422, 423, 424,
&end
#
# 577 VAL HA 577 VAL QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 422, 423, 424,
&end
#
# 577 VAL QG2 587 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 422, 423, 424,
igr2= 553, 554, 555,
&end
#
# 577 VAL QG2 605 ILE QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 422, 423, 424,
igr2= 842, 843, 844,
&end
#
# 577 VAL QG2 605 ILE QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 422, 423, 424,
igr2= 849, 850, 851,
&end
#
# 559 GLY H 577 VAL QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 418, 419, 420,
&end
#
# 577 VAL QG1 578 GLU H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 418, 419, 420,
&end
#
# 577 VAL QG1 580 LEU H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 418, 419, 420,
&end
#
# 560 ASP H 577 VAL QG1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 418, 419, 420,
&end
#
# 577 VAL QG1 579 ALA H 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 418, 419, 420,
&end
#
# 577 VAL QG1 589 VAL HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 418, 419, 420,
&end
#
# 560 ASP HA 577 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 419, 420,
&end
#
# 577 VAL QG1 580 LEU HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 418, 419, 420,
&end
#
# 559 GLY HA3 577 VAL QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 418, 419, 420,
&end
#
# 558 PRO HA 577 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 418, 419, 420,
&end
#
# 577 VAL HA 577 VAL QG1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 418, 419, 420,
&end
#
# 556 TRP HB3 577 VAL QG1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 418, 419, 420,
&end
#
# 558 PRO HB3 577 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 418, 419, 420,
&end
#
# 577 VAL QG1 579 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 418, 419, 420,
igr2= 447, 448, 449,
&end
#
# 577 VAL QG1 605 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 418, 419, 420,
igr2= 849, 850, 851,
&end
#
# 575 ALA QB 590 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 391, 392, 393,
&end
#
# 597 TYR HB3 598 GLU H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 711, 727, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 597 TYR H 597 TYR HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 571 LYS QG 571 LYS QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 307, 308,
igr2= 313, 314,
&end
#
# 575 ALA HA 592 ILE QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 639, 640, 641,
&end
#
# 608 ILE HA 609 LEU HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 893, 912, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 560 ASP HA 561 GLU QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 143, 144,
&end
#
# 592 ILE H 592 ILE HG13 3.86
&rst
ixpk= 0, nxpk= 0, iat= 633, 644, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 596 ASN H 596 ASN QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 696, 697,
&end
#
# 563 PHE HA 608 ILE QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 904, 905, 906,
&end
#
# 561 GLU QG 608 ILE QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 146, 147,
igr2= 901, 902,
&end
#
# 574 ARG QB 592 ILE H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 367, 368,
&end
#
# 574 ARG QB 575 ALA H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 367, 368,
&end
#
# 607 PRO HB2 609 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 914, 915,
&end
#
# 607 PRO HB2 608 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 901, 902,
&end
#
# 585 MET QG 586 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 525, 526,
&end
#
# 558 PRO HA 580 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 457, 458,
&end
#
# 601 LEU QB 602 LEU HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 777, 778,
&end
#
# 590 LYS HE3 595 GLY HA2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 605, 687, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 590 LYS HD2 595 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 586 THR HA 602 LEU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 537, 794, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 567 TRP HA 569 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 237, 274, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 566 TYR QD 567 TRP HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 222, 231,
&end
#
# 578 GLU QB 578 GLU QG 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 432, 433,
igr2= 435, 436,
&end
#
# 601 LEU QB 601 LEU QQD 2.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 777, 778,
&end
#
# 588 VAL QG1 597 TYR HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 565, 566, 567,
&end
#
# 586 THR QG2 601 LEU HA 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 541, 542, 543,
&end
#
# 586 THR H 586 THR QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 541, 542, 543,
&end
#
# 586 THR QG2 602 LEU H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 541, 542, 543,
&end
#
# 586 THR QG2 587 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 541, 542, 543,
&end
#
# 586 THR QG2 600 VAL H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 541, 542, 543,
&end
#
# 585 MET QE 586 THR QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 529, 530, 531,
igr2= 541, 542, 543,
&end
#
# 577 VAL QG1 588 VAL HB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 418, 419, 420,
&end
#
# 574 ARG H 574 ARG QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 367, 368,
&end
#
# 586 THR QG2 599 GLU QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 541, 542, 543,
igr2= 746, 747,
&end
#
# 599 GLU QB 600 VAL QQG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 746, 747,
&end
#
# 586 THR HA 599 GLU QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 746, 747,
&end
#
# 599 GLU QB 599 GLU QG 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 746, 747,
igr2= 749, 750,
&end
#
# 565 LEU HB3 566 TYR HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 200, 216, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 565 LEU HB2 604 ASN HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 199, 824, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 585 MET HA 585 MET QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 522, 523,
&end
#
# 602 LEU QB 602 LEU HG 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 796, 797,
&end
#
# 587 ALA H 600 VAL HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 549, 761, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 578 GLU QB 579 ALA H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 432, 433,
&end
#
# 569 ASP HB3 571 LYS HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 279, 304, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 571 LYS H 571 LYS HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 571 LYS HB2 572 PHE H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 304, 322, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 598 GLU QG 599 GLU H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 734, 735,
&end
#
# 585 MET QB 586 THR QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 522, 523,
igr2= 541, 542, 543,
&end
#
# 592 ILE HB 592 ILE QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 646, 647, 648,
&end
#
# 592 ILE HA 592 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 646, 647, 648,
&end
#
# 592 ILE QG2 592 ILE QD1 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 639, 640, 641,
igr2= 646, 647, 648,
&end
#
# 587 ALA QB 602 LEU QQD 2.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 553, 554, 555,
&end
#
# 565 LEU HG 566 TYR H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 202, 214, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 565 LEU HA 565 LEU HG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 565 LEU HG 600 VAL QQG 5.03
&rst
ixpk= 0, nxpk= 0, iat= 202, 760, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, &end
#
# 564 ALA QB 565 LEU HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 189, 190, 191,
&end
#
# 565 LEU HA 600 VAL QQG 5.42
&rst
ixpk= 0, nxpk= 0, iat= 197, 760, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12, &end
#
# 565 LEU HB2 600 VAL QQG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 199, 760, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 565 LEU HB3 600 VAL QQG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 200, 760, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 591 PHE QB 594 TYR HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 617, 618,
&end
#
# 575 ALA HA 591 PHE QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 617, 618,
&end
#
# 573 TYR HB3 591 PHE QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 617, 618,
&end
#
# 569 ASP HB2 570 ASN HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 278, 291, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 565 LEU HG 570 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 565 LEU HG 572 PHE QD 5.46
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 330, 338,
&end
#
# 565 LEU HG 572 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 332, 336,
&end
#
# 565 LEU HG 571 LYS H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 202, 300, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 590 LYS HA 590 LYS HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 593, 602, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 590 LYS HA 590 LYS HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 593, 601, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 590 LYS H 590 LYS HD3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 591, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 590 LYS HD2 596 ASN H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 601, 692, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 575 ALA QB 590 LYS HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 391, 392, 393,
&end
#
# 571 LYS HB3 572 PHE QD 5.37
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 330, 338,
&end
#
# 590 LYS HB2 597 TYR HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 595, 708, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 576 GLU H 590 LYS HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 397, 595, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 592 ILE HG12 608 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 904, 905, 906,
&end
#
# 576 GLU QG 592 ILE HG12 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 404, 405,
&end
#
# 570 ASN HB3 571 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 307, 308,
&end
#
# 590 LYS HD3 596 ASN HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 602, 694, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 571 LYS HB3 571 LYS QG 2.86
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 307, 308,
&end
#
# 569 ASP HB2 571 LYS HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 278, 304, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 590 LYS H 590 LYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 591, 596, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 590 LYS HA 596 ASN HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 593, 694, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 590 LYS HB2 590 LYS HE3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 595, 605, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 563 PHE HA 574 ARG HA 3.36
&rst
ixpk= 0, nxpk= 0, iat= 167, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 574 ARG HA 575 ALA H 2.92
&rst
ixpk= 0, nxpk= 0, iat= 365, 387, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 574 ARG HA 575 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 391, 392, 393,
&end
#
# 574 ARG HA 592 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 646, 647, 648,
&end
#
# 559 GLY H 578 GLU HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 120, 430, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 578 GLU HA 589 VAL HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 430, 577, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 578 GLU HA 579 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 447, 448, 449,
&end
#
# 577 VAL QG1 578 GLU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 418, 419, 420,
&end
#
# 556 TRP HB3 577 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 422, 423, 424,
&end
#
# 562 CYS HA 575 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 156, 387, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 561 GLU HA 577 VAL HB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 141, 416, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 561 GLU HA 576 GLU QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 401, 402,
&end
#
# 571 LYS HA 572 PHE H 2.93
&rst
ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 601 LEU HA 602 LEU H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 775, 792, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 572 PHE HA 572 PHE QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 330, 338,
&end
#
# 572 PHE HA 573 TYR H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 324, 342, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 558 PRO HB3 579 ALA HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 114, 445, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 580 LEU HA 587 ALA HA 3.21
&rst
ixpk= 0, nxpk= 0, iat= 455, 551, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 581 HIS H 587 ALA HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= 472, 551, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 587 ALA HA 588 VAL H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 551, 559, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 590 LYS HD2 595 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 601, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 590 LYS HG2 595 GLY HA2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 598, 687, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 590 LYS HG3 595 GLY HA2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 599, 687, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 590 LYS HG3 595 GLY HA3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 599, 688, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 591 PHE QB 595 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 617, 618,
&end
#
# 589 VAL QG1 599 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 581, 582, 583,
&end
#
# 556 TRP HE1 602 LEU HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 70, 794, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 565 LEU HB3 604 ASN HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 200, 824, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 565 LEU H 604 ASN HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 195, 824, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 604 ASN HA 605 ILE H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 563 PHE H 608 ILE HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 165, 893, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 556 TRP HH2 562 CYS HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 75, 159, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 556 TRP HZ2 562 CYS HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 73, 159, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 558 PRO HB2 579 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 447, 448, 449,
&end
#
# 558 PRO HB2 579 ALA H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 113, 443, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 563 PHE HB3 574 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 563 PHE HB3 572 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 590 LYS HE2 595 GLY HA2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 604, 687, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 564 ALA QB 605 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 189, 190, 191,
igr2= 849, 850, 851,
&end
#
# 564 ALA QB 589 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 189, 190, 191,
igr2= 581, 582, 583,
&end
#
# 564 ALA QB 565 LEU H 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 189, 190, 191,
&end
#
# 564 ALA QB 573 TYR H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 189, 190, 191,
&end
#
# 565 LEU HB2 572 PHE HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 199, 324, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 569 ASP HB3 571 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 279, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 569 ASP HB3 570 ASN H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 569 ASP HB2 571 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 278, 300, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 569 ASP HB2 570 ASN H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 278, 286, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 565 LEU HG 570 ASN HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 202, 291, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 569 ASP H 570 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 570 ASN HB3 571 LYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 590 LYS HB3 597 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 716, 721,
&end
#
# 563 PHE HA 572 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 167, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 564 ALA QB 572 PHE HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 189, 190, 191,
&end
#
# 565 LEU HA 572 PHE HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 197, 327, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 563 PHE HA 572 PHE HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 167, 327, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 564 ALA H 572 PHE HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 185, 327, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 573 TYR HB3 574 ARG QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 367, 368,
&end
#
# 573 TYR HB3 594 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 674, 679,
&end
#
# 576 GLU QB 578 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 401, 402,
&end
#
# 577 VAL QG1 578 GLU QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 418, 419, 420,
igr2= 432, 433,
&end
#
# 579 ALA QB 597 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 447, 448, 449,
igr2= 716, 721,
&end
#
# 579 ALA QB 597 TYR QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 447, 448, 449,
igr2= 714, 723,
&end
#
# 586 THR HB 600 VAL H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 539, 757, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 590 LYS HB3 597 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 596, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 590 LYS HB2 598 GLU H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 595, 727, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 591 PHE QB 593 ASP H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 617, 618,
&end
#
# 598 GLU QB 599 GLU QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 731, 732,
igr2= 746, 747,
&end
#
# 601 LEU QQD 603 SER HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 779, 815, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 601 LEU QQD 603 SER HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 779, 816, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 600 VAL HB 604 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 761, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 600 VAL HB 604 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 761, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 589 VAL QG1 605 ILE HB 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 581, 582, 583,
&end
#
# 562 CYS HB2 605 ILE HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 158, 840, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 556 TRP HZ2 605 ILE HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 73, 840, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 604 ASN H 605 ILE HB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 822, 840, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 565 LEU H 605 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 563 PHE H 605 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 165, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 556 TRP HE1 605 ILE HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 70, 840, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 564 ALA QB 605 ILE HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 189, 190, 191,
&end
#
# 556 TRP HZ2 607 PRO HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 73, 885, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 608 ILE HA 609 LEU QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 914, 915,
&end
#
# 566 TYR HA 567 TRP HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 216, 240, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 600 VAL HA 601 LEU HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 759, 775, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 564 ALA HA 565 LEU HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 563 PHE HB3 564 ALA HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 170, 187, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 565 LEU HA 572 PHE H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 197, 322, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 565 LEU HA 571 LYS HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 197, 302, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 565 LEU HA 570 ASN HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 197, 288, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 576 GLU QB 577 VAL HB 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 401, 402,
&end
#
# 592 ILE HA 595 GLY H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 635, 685, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 591 PHE H 592 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 592 ILE HA 595 GLY HA2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 635, 687, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 575 ALA H 592 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 387, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 592 ILE QG2 595 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 639, 640, 641,
&end
#
# 563 PHE H 608 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 904, 905, 906,
&end
#
# 575 ALA H 608 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 904, 905, 906,
&end
#
# 562 CYS HB3 605 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 564 ALA HA 605 ILE QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 849, 850, 851,
&end
#
# 604 ASN H 605 ILE QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 849, 850, 851,
&end
#
# 562 CYS HB2 605 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 580 LEU HA 605 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 849, 850, 851,
&end
#
# 589 VAL HA 605 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 556 TRP HB3 605 ILE QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 849, 850, 851,
&end
#
# 608 ILE QG2 608 ILE QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 897, 898, 899,
igr2= 901, 902,
&end
#
# 608 ILE QG1 609 LEU H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 901, 902,
&end
#
# 563 PHE QD 608 ILE QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 173, 181,
igr2= 901, 902,
&end
#
# 563 PHE QE 608 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 175, 179,
igr2= 901, 902,
&end
#
# 605 ILE HA 605 ILE QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 846, 847,
&end
#
# 564 ALA HA 605 ILE QG1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 846, 847,
&end
#
# 604 ASN H 605 ILE QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 846, 847,
&end
#
# 605 ILE QG1 606 LYS H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 846, 847,
&end
#
# 556 TRP HE1 605 ILE QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 846, 847,
&end
#
# 556 TRP HB3 589 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 581, 582, 583,
&end
#
# 578 GLU HA 589 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 581, 582, 583,
&end
#
# 564 ALA HA 589 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 581, 582, 583,
&end
#
# 575 ALA QB 589 VAL QG2 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 391, 392, 393,
igr2= 585, 586, 587,
&end
#
# 556 TRP HA 557 LYS H 2.76
&rst
ixpk= 0, nxpk= 0, iat= 62, 84, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 556 TRP HB3 557 LYS H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 65, 84, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 557 LYS H 577 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 422, 423, 424,
&end
#
# 559 GLY H 560 ASP H 3.01
&rst
ixpk= 0, nxpk= 0, iat= 120, 127, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 560 ASP H 577 VAL H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 127, 412, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 560 ASP H 577 VAL HB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 127, 416, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 560 ASP H 576 GLU QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 401, 402,
&end
#
# 578 GLU H 590 LYS H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 428, 591, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 589 VAL H 590 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 575, 591, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 561 GLU H 577 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 139, 412, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 590 LYS H 598 GLU H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 591, 727, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 576 GLU H 590 LYS H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 397, 591, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 560 ASP H 561 GLU H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 127, 139, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 589 VAL HA 590 LYS H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 577, 591, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 560 ASP HA 561 GLU H 2.65
&rst
ixpk= 0, nxpk= 0, iat= 129, 139, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 577 VAL HA 590 LYS H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 414, 591, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 560 ASP QB 561 GLU H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 131, 132,
&end
#
# 561 GLU H 561 GLU QG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 146, 147,
&end
#
# 561 GLU H 561 GLU QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 143, 144,
&end
#
# 561 GLU H 576 GLU QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 401, 402,
&end
#
# 576 GLU QB 590 LYS H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 401, 402,
&end
#
# 589 VAL HB 590 LYS H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 579, 591, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 590 LYS H 590 LYS HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 591, 595, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 590 LYS H 590 LYS HG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 591, 598, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 562 CYS H 575 ALA H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 154, 387, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 561 GLU HA 562 CYS H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 141, 154, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 561 GLU QG 562 CYS H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 146, 147,
&end
#
# 561 GLU QB 562 CYS H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 143, 144,
&end
#
# 562 CYS H 592 ILE QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 646, 647, 648,
&end
#
# 563 PHE H 606 LYS H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 165, 855, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 556 TRP HZ2 563 PHE H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 73, 165, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 563 PHE H 563 PHE QD 4.06
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 173, 181,
&end
#
# 562 CYS HA 563 PHE H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 156, 165, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 562 CYS HB2 563 PHE H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 563 PHE H 563 PHE HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 562 CYS HB3 563 PHE H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 159, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 563 PHE H 605 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 842, 843, 844,
&end
#
# 564 ALA H 573 TYR H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 185, 342, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 564 ALA H 573 TYR QD 5.25
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 350, 359,
&end
#
# 563 PHE QD 564 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 173, 181,
&end
#
# 563 PHE HA 564 ALA H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 167, 185, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 564 ALA H 574 ARG HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 185, 365, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 563 PHE HB3 564 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 564 ALA H 575 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 391, 392, 393,
&end
#
# 564 ALA H 589 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 585, 586, 587,
&end
#
# 564 ALA H 605 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 842, 843, 844,
&end
#
# 565 LEU H 606 LYS H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 195, 855, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 565 LEU H 572 PHE QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 330, 338,
&end
#
# 564 ALA HA 565 LEU H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 187, 195, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 565 LEU H 605 ILE HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= 195, 838, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 565 LEU H 604 ASN HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 195, 827, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 565 LEU H 565 LEU HB2 3.08
&rst
ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 565 LEU H 565 LEU HB3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 565 LEU H 605 ILE QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 842, 843, 844,
&end
#
# 565 LEU H 565 LEU QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 204, 205, 206,
&end
#
# 566 TYR H 566 TYR HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 214, 219, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 566 TYR HA 567 TRP H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 216, 235, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 567 TRP H 568 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 235, 259, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 567 TRP H 567 TRP HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 567 TRP H 567 TRP HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 569 ASP H 570 ASN H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 569 ASP H 571 LYS H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 274, 300, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 568 GLU QG 569 ASP H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 266, 267,
&end
#
# 569 ASP H 569 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 568 GLU HB2 569 ASP H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 263, 274, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 568 GLU HB3 569 ASP H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 264, 274, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 570 ASN H 571 LYS H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 286, 300, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 570 ASN H 573 TYR QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 352, 357,
&end
#
# 570 ASN H 570 ASN HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 568 GLU QG 570 ASN H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 266, 267,
&end
#
# 568 GLU HA 570 ASN H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 261, 286, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 570 ASN H 570 ASN HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 566 TYR H 571 LYS H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 214, 300, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 571 LYS H 573 TYR QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 352, 357,
&end
#
# 566 TYR HB2 571 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 218, 300, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 566 TYR HB3 571 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 219, 300, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 573 TYR H 573 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 350, 359,
&end
#
# 563 PHE QD 573 TYR H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 173, 181,
&end
#
# 573 TYR H 573 TYR HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 572 PHE HB2 573 TYR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 572 PHE HB3 573 TYR H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 327, 342, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 587 ALA H 602 LEU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 549, 792, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 573 TYR QD 574 ARG H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 350, 359,
&end
#
# 586 THR H 587 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 535, 549, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 563 PHE QD 574 ARG H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 173, 181,
&end
#
# 563 PHE QE 574 ARG H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 175, 179,
&end
#
# 587 ALA H 601 LEU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 549, 775, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 573 TYR HB3 574 ARG H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 573 TYR HB2 574 ARG H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 346, 363, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 563 PHE HA 575 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 167, 387, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 575 ALA H 575 ALA QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 391, 392, 393,
&end
#
# 575 ALA H 592 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 646, 647, 648,
&end
#
# 576 GLU H 592 ILE H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 397, 633, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 572 PHE H 573 TYR QE 5.15
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 352, 357,
&end
#
# 575 ALA HA 576 GLU H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 572 PHE H 572 PHE HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 572 PHE H 572 PHE HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 571 LYS QD 572 PHE H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 310, 311,
&end
#
# 576 GLU H 576 GLU QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 401, 402,
&end
#
# 571 LYS HB3 572 PHE H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 322, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 576 GLU H 592 ILE HG13 3.94
&rst
ixpk= 0, nxpk= 0, iat= 397, 644, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 576 GLU H 592 ILE HG12 3.83
&rst
ixpk= 0, nxpk= 0, iat= 397, 643, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 575 ALA QB 576 GLU H 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 391, 392, 393,
&end
#
# 576 GLU H 592 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 646, 647, 648,
&end
#
# 577 VAL H 578 GLU H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 412, 428, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 562 CYS H 577 VAL H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 154, 412, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 576 GLU H 577 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 576 GLU HA 577 VAL H 2.89
&rst
ixpk= 0, nxpk= 0, iat= 399, 412, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 559 GLY HA2 577 VAL H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 122, 412, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 577 VAL H 577 VAL HB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 561 GLU QB 577 VAL H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 143, 144,
&end
#
# 578 GLU H 578 GLU QG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 435, 436,
&end
#
# 578 GLU H 588 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 428, 563, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 578 GLU H 579 ALA H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 428, 443, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 579 ALA H 588 VAL H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 443, 559, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 579 ALA H 589 VAL HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 443, 577, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 579 ALA H 588 VAL HB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 443, 563, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 579 ALA H 588 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 565, 566, 567,
&end
#
# 579 ALA H 588 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 569, 570, 571,
&end
#
# 557 LYS HA 580 LEU H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 86, 453, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 580 LEU H 580 LEU QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 457, 458,
&end
#
# 580 LEU H 580 LEU HG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 580 LEU H 580 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 462, 463, 464,
&end
#
# 580 LEU H 580 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 466, 467, 468,
&end
#
# 580 LEU HA 581 HIS H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 580 LEU QB 581 HIS H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 457, 458,
&end
#
# 602 LEU H 603 SER H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 792, 811, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 603 SER H 605 ILE H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 811, 836, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 601 LEU HG 603 SER H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 780, 811, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 602 LEU QB 603 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 796, 797,
&end
#
# 602 LEU HG 603 SER H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 601 LEU QQD 603 SER H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 779, 811, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 585 MET H 585 MET QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 522, 523,
&end
#
# 585 MET H 586 THR H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 518, 535, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 585 MET QB 586 THR H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 522, 523,
&end
#
# 585 MET QE 586 THR H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 529, 530, 531,
&end
#
# 578 GLU H 588 VAL H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 428, 559, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 587 ALA H 588 VAL H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 588 VAL H 589 VAL H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 581 HIS H 588 VAL H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 472, 559, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 596 ASN HA 597 TYR H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 694, 706, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 597 TYR H 597 TYR HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 706, 710, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 588 VAL H 588 VAL HB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 577 VAL QG1 588 VAL H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 418, 419, 420,
&end
#
# 589 VAL H 598 GLU H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 575, 727, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 589 VAL H 597 TYR HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 575, 708, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 588 VAL HA 589 VAL H 2.79
&rst
ixpk= 0, nxpk= 0, iat= 561, 575, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 589 VAL H 590 LYS HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 575, 593, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 578 GLU QB 589 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 432, 433,
&end
#
# 589 VAL H 600 VAL QQG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 575, 760, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, &end
#
# 589 VAL H 589 VAL QG2 3.03
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 585, 586, 587,
&end
#
# 591 PHE H 591 PHE QD 3.81
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 621, 629,
&end
#
# 591 PHE H 597 TYR HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= 613, 708, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 590 LYS HA 591 PHE H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 593, 613, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 591 PHE H 591 PHE QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 617, 618,
&end
#
# 590 LYS HG2 591 PHE H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 598, 613, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 590 LYS HG3 591 PHE H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 599, 613, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 556 TRP H 556 TRP HD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 60, 68, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 591 PHE HA 592 ILE H 2.78
&rst
ixpk= 0, nxpk= 0, iat= 615, 633, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 556 TRP H 556 TRP HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 60, 64, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 592 ILE HB 593 ASP H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 637, 652, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 591 PHE QB 595 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 617, 618,
&end
#
# 595 GLY H 596 ASN H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 685, 692, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 591 PHE QD 596 ASN H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 621, 629,
&end
#
# 591 PHE QB 596 ASN H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 617, 618,
&end
#
# 597 TYR H 598 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 706, 727, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 588 VAL HA 598 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 561, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 590 LYS HA 598 GLU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 593, 727, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 597 TYR HB2 598 GLU H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 710, 727, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 598 GLU H 598 GLU QG 4.22
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 734, 735,
&end
#
# 598 GLU HA 599 GLU H 2.81
&rst
ixpk= 0, nxpk= 0, iat= 729, 742, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 598 GLU QB 599 GLU H 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 731, 732,
&end
#
# 599 GLU H 599 GLU QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 746, 747,
&end
#
# 588 VAL QG1 599 GLU H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 565, 566, 567,
&end
#
# 599 GLU QB 600 VAL H 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 746, 747,
&end
#
# 600 VAL H 601 LEU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 757, 773, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 601 LEU H 602 LEU H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 773, 792, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 601 LEU H 604 ASN HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 773, 826, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 601 LEU H 604 ASN HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 773, 827, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 600 VAL HB 601 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 761, 773, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 601 LEU H 601 LEU QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 777, 778,
&end
#
# 600 VAL QQG 601 LEU H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 760, 773, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 601 LEU H 601 LEU QQD 3.69
&rst
ixpk= 0, nxpk= 0, iat= 773, 779, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 602 LEU H 604 ASN H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 792, 822, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 602 LEU H 602 LEU QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 796, 797,
&end
#
# 602 LEU H 602 LEU HG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 792, 799, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 601 LEU QQD 602 LEU H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 779, 792, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 601 LEU H 604 ASN H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 773, 822, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 603 SER H 604 ASN H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 811, 822, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 604 ASN H 605 ILE H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 602 LEU HA 604 ASN H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 794, 822, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 604 ASN H 604 ASN HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 604 ASN H 604 ASN HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 601 LEU QB 604 ASN H 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 777, 778,
&end
#
# 601 LEU QQD 604 ASN H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 779, 822, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 605 ILE H 606 LYS H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 836, 855, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 603 SER HA 605 ILE H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 813, 836, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 602 LEU HA 605 ILE H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 794, 836, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 604 ASN HB3 605 ILE H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 827, 836, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 601 LEU QB 605 ILE H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 777, 778,
&end
#
# 602 LEU QB 605 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797,
&end
#
# 605 ILE H 605 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 849, 850, 851,
&end
#
# 564 ALA HA 606 LYS H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 187, 855, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 605 ILE HA 606 LYS H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 563 PHE HB3 606 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 170, 855, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 565 LEU HB2 606 LYS H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 199, 855, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 564 ALA QB 606 LYS H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 189, 190, 191,
&end
#
# 563 PHE H 608 ILE H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 165, 891, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 556 TRP HH2 608 ILE H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 75, 891, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 607 PRO HA 608 ILE H 2.75
&rst
ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 607 PRO HB2 608 ILE H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 884, 891, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 608 ILE H 608 ILE HB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 891, 895, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 608 ILE H 608 ILE QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 901, 902,
&end
#
# 608 ILE H 608 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 904, 905, 906,
&end
#
# 566 TYR QD 567 TRP HE1 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 222, 231,
&end
#
# 556 TRP HB2 556 TRP HE1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 64, 70, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 556 TRP HE1 602 LEU QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 796, 797,
&end
#
# 556 TRP HE1 605 ILE QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 842, 843, 844,
&end
#
# 556 TRP HE1 605 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 849, 850, 851,
&end
#
# 608 ILE H 609 LEU H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 891, 910, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 607 PRO HB3 609 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 885, 910, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 608 ILE HB 609 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 895, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 609 LEU H 609 LEU QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 914, 915,
&end
#
# 558 PRO HB3 559 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 599 GLU H 599 GLU QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 749, 750,
&end
#
# 556 TRP H 557 LYS H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 60, 84, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 556 TRP HB2 557 LYS H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 64, 84, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 559 GLY H 580 LEU HG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 120, 460, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 561 GLU H 577 VAL HB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 139, 416, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 562 CYS H 577 VAL HB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 154, 416, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 565 LEU HB2 566 TYR H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 199, 214, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 566 TYR H 567 TRP H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 214, 235, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 561 GLU HA 576 GLU H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 141, 397, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 587 ALA H 600 VAL H 3.10
&rst
ixpk= 0, nxpk= 0, iat= 549, 757, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 556 TRP H 556 TRP HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 60, 65, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 591 PHE QB 592 ILE H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 617, 618,
&end
#
# 580 LEU HA 588 VAL H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 455, 559, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 588 VAL HA 599 GLU H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 561, 742, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 600 VAL QQG 605 ILE H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 760, 836, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 568 GLU H 568 GLU HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 568 GLU H 568 GLU HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 259, 264, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 568 GLU H 569 ASP H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 556 TRP HA 556 TRP HD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 62, 68, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 556 TRP HD1 602 LEU QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 796, 797,
&end
#
# 556 TRP HD1 605 ILE HB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 68, 840, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 556 TRP HD1 605 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 849, 850, 851,
&end
#
# 556 TRP HD1 604 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 68, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 556 TRP HZ2 607 PRO HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 73, 887, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 556 TRP HH2 607 PRO HA 2.98
&rst
ixpk= 0, nxpk= 0, iat= 75, 887, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 556 TRP HH2 560 ASP QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 131, 132,
&end
#
# 556 TRP HH2 562 CYS HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 75, 158, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 567 TRP HB3 567 TRP HD1 3.31
&rst
ixpk= 0, nxpk= 0, iat= 240, 243, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 567 TRP H 567 TRP HD1 3.04
&rst
ixpk= 0, nxpk= 0, iat= 235, 243, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 567 TRP HA 567 TRP HD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 237, 243, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 567 TRP HB2 567 TRP HD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 567 TRP HD1 568 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 243, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 566 TYR QD 567 TRP H 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 222, 231,
&end
#
# 566 TYR HA 566 TYR QD 3.11
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 222, 231,
&end
#
# 566 TYR QD 568 GLU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 222, 231,
&end
#
# 566 TYR QD 568 GLU QG 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 222, 231,
igr2= 266, 267,
&end
#
# 566 TYR QD 567 TRP HD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 222, 231,
&end
#
# 566 TYR H 566 TYR QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 222, 231,
&end
#
# 597 TYR HA 597 TYR QD 3.76
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 714, 723,
&end
#
# 596 ASN HA 597 TYR QD 3.66
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 714, 723,
&end
#
# 588 VAL HB 597 TYR QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 714, 723,
&end
#
# 590 LYS HB3 597 TYR QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 714, 723,
&end
#
# 590 LYS HD3 597 TYR QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 714, 723,
&end
#
# 590 LYS HB2 597 TYR QD 3.80
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 714, 723,
&end
#
# 588 VAL QG1 597 TYR QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 565, 566, 567,
igr2= 714, 723,
&end
#
# 590 LYS HG3 597 TYR QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 714, 723,
&end
#
# 597 TYR H 597 TYR QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 714, 723,
&end
#
# 597 TYR HA 597 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 716, 721,
&end
#
# 596 ASN QB 597 TYR QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 696, 697,
igr2= 716, 721,
&end
#
# 590 LYS HD2 597 TYR QE 3.32
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 716, 721,
&end
#
# 588 VAL QG1 597 TYR QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 565, 566, 567,
igr2= 716, 721,
&end
#
# 597 TYR H 597 TYR QE 3.83
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 716, 721,
&end
#
# 566 TYR QD 573 TYR QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 222, 231,
igr2= 350, 359,
&end
#
# 571 LYS H 573 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 350, 359,
&end
#
# 572 PHE H 573 TYR QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 350, 359,
&end
#
# 566 TYR H 573 TYR QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 350, 359,
&end
#
# 573 TYR HA 573 TYR QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 350, 359,
&end
#
# 571 LYS HA 573 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 350, 359,
&end
#
# 571 LYS HB2 573 TYR QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 350, 359,
&end
#
# 571 LYS HB3 573 TYR QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 350, 359,
&end
#
# 566 TYR QD 573 TYR QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 222, 231,
igr2= 352, 357,
&end
#
# 567 TRP H 573 TYR QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 352, 357,
&end
#
# 566 TYR H 573 TYR QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 352, 357,
&end
#
# 566 TYR HB2 573 TYR QE 3.51
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 352, 357,
&end
#
# 566 TYR HB3 573 TYR QE 3.51
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 352, 357,
&end
#
# 571 LYS HB2 573 TYR QE 3.25
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 352, 357,
&end
#
# 571 LYS HB3 573 TYR QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 352, 357,
&end
#
# 567 TRP HZ2 568 GLU HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 248, 263, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 567 TRP HZ2 568 GLU HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 248, 264, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 567 TRP HH2 568 GLU HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 250, 263, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 563 PHE HA 563 PHE QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 173, 181,
&end
#
# 563 PHE QD 572 PHE HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 173, 181,
&end
#
# 563 PHE QE 574 ARG QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 175, 179,
igr2= 367, 368,
&end
#
# 563 PHE QD 608 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 173, 181,
igr2= 904, 905, 906,
&end
#
# 563 PHE QE 608 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 175, 179,
igr2= 904, 905, 906,
&end
#
# 572 PHE H 572 PHE QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 330, 338,
&end
#
# 572 PHE QD 606 LYS H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 330, 338,
&end
#
# 572 PHE QD 573 TYR H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 330, 338,
&end
#
# 572 PHE QD 605 ILE HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 330, 338,
&end
#
# 563 PHE HB3 572 PHE QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 330, 338,
&end
#
# 565 LEU HB2 572 PHE QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 330, 338,
&end
#
# 565 LEU HB2 572 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 332, 336,
&end
#
# 591 PHE QD 592 ILE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 621, 629,
&end
#
# 573 TYR HB3 591 PHE QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 621, 629,
&end
#
# 575 ALA QB 591 PHE QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 391, 392, 393,
igr2= 621, 629,
&end
#
# 573 TYR HB2 591 PHE QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 621, 629,
&end
#
# 573 TYR HB2 591 PHE QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 623, 627,
&end
#
# 566 TYR QE 567 TRP HD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 224, 229,
&end
#
# 566 TYR QE 567 TRP HZ2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 224, 229,
&end
#
# 566 TYR QE 568 GLU H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 224, 229,
&end
#
# 566 TYR QE 568 GLU QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 224, 229,
igr2= 266, 267,
&end
#
# 566 TYR QE 568 GLU HB2 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 224, 229,
&end
#
# 566 TYR QE 568 GLU HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 224, 229,
&end
#
# 566 TYR QE 567 TRP H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 224, 229,
&end
#
# 566 TYR QE 567 TRP HE1 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 224, 229,
&end
#
# 573 TYR HA 594 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 679,
&end
#
# 573 TYR QD 594 TYR QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 350, 359,
igr2= 674, 679,
&end
#
# 591 PHE QB 594 TYR QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 617, 618,
igr2= 674, 679,
&end
#
# 591 PHE QB 594 TYR QD 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 617, 618,
igr2= 672, 681,
&end
#
# 566 TYR QD 568 GLU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 222, 231,
&end
#
# 566 TYR QD 568 GLU HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 222, 231,
&end
#
# 556 TRP HB2 580 LEU QQD 4.63
&rst
ixpk= 0, nxpk= 0, iat= 64, 459, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 556 TRP HB3 580 LEU QQD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 65, 459, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 556 TRP HE1 580 LEU QQD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 70, 459, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 556 TRP HZ2 562 CYS QB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 158, 159,
&end
#
# 556 TRP HH2 562 CYS QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 158, 159,
&end
#
# 557 LYS H 580 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 84, 459, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 558 PRO HA 580 LEU QQD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 116, 459, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 562 CYS QB 563 PHE H 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 158, 159,
&end
#
# 562 CYS QB 577 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 158, 159,
igr2= 422, 423, 424,
&end
#
# 562 CYS QB 589 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 158, 159,
igr2= 581, 582, 583,
&end
#
# 562 CYS QB 605 ILE HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 158, 159,
&end
#
# 562 CYS QB 605 ILE QG2 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 158, 159,
igr2= 842, 843, 844,
&end
#
# 562 CYS QB 605 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 158, 159,
igr2= 849, 850, 851,
&end
#
# 562 CYS QB 606 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 158, 159,
&end
#
# 562 CYS QB 608 ILE QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 158, 159,
igr2= 901, 902,
&end
#
# 565 LEU H 565 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat= 195, 201, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 565 LEU H 604 ASN QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 826, 827,
&end
#
# 565 LEU HA 565 LEU QQD 2.93
&rst
ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 565 LEU HB2 604 ASN QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 826, 827,
&end
#
# 565 LEU HB3 604 ASN QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 826, 827,
&end
#
# 565 LEU HG 566 TYR QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 218, 219,
&end
#
# 565 LEU HG 604 ASN QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 826, 827,
&end
#
# 565 LEU QQD 566 TYR H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 201, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 565 LEU QQD 566 TYR QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2= 218, 219,
&end
#
# 565 LEU QQD 567 TRP HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 201, 237, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, &end
#
# 565 LEU QQD 570 ASN H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 201, 286, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 565 LEU QQD 570 ASN HA 2.90
&rst
ixpk= 0, nxpk= 0, iat= 201, 288, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 565 LEU QQD 570 ASN HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 201, 290, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 565 LEU QQD 570 ASN HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 201, 291, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 565 LEU QQD 571 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 201, 300, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 565 LEU QQD 571 LYS HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 201, 302, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 565 LEU QQD 572 PHE H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 201, 322, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 565 LEU QQD 572 PHE HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 201, 324, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 565 LEU QQD 572 PHE QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 332, 336,
&end
#
# 565 LEU QQD 600 VAL QQG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 201, 760, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 565 LEU QQD 604 ASN QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 826, 827,
&end
#
# 566 TYR H 566 TYR QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 218, 219,
&end
#
# 566 TYR QB 567 TRP H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 218, 219,
&end
#
# 566 TYR QB 568 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 218, 219,
igr2= 266, 267,
&end
#
# 566 TYR QB 569 ASP H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 218, 219,
&end
#
# 566 TYR QB 571 LYS H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 218, 219,
&end
#
# 566 TYR QB 573 TYR QD 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 218, 219,
igr2= 350, 359,
&end
#
# 566 TYR QB 573 TYR QE 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 218, 219,
igr2= 352, 357,
&end
#
# 577 VAL HB 580 LEU QQD 5.01
&rst
ixpk= 0, nxpk= 0, iat= 416, 459, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, &end
#
# 577 VAL QG1 580 LEU QQD 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 418, 419, 420,
&end
#
# 579 ALA HA 580 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 445, 459, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 580 LEU H 580 LEU QQD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 453, 459, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 580 LEU HA 580 LEU QQD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 455, 459, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 580 LEU QB 580 LEU QQD 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 457, 458,
&end
#
# 580 LEU QQD 581 HIS H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 459, 472, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 580 LEU QQD 587 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 459, 549, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, &end
#
# 580 LEU QQD 587 ALA HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= 459, 551, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 580 LEU QQD 587 ALA QB 2.84
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 553, 554, 555,
&end
#
# 580 LEU QQD 589 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 459, 575, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, &end
#
# 580 LEU QQD 605 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 849, 850, 851,
&end
#
# 588 VAL HA 597 TYR QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 710, 711,
&end
#
# 588 VAL QG1 597 TYR QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 565, 566, 567,
igr2= 710, 711,
&end
#
# 590 LYS HA 597 TYR QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 710, 711,
&end
#
# 590 LYS HB2 590 LYS QE 4.12
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 604, 605,
&end
#
# 590 LYS HB3 590 LYS QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 604, 605,
&end
#
# 590 LYS QE 592 ILE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 604, 605,
&end
#
# 590 LYS QE 595 GLY H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 604, 605,
&end
#
# 590 LYS QE 595 GLY HA2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 604, 605,
&end
#
# 590 LYS QE 596 ASN H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 604, 605,
&end
#
# 596 ASN HA 597 TYR QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 710, 711,
&end
#
# 597 TYR H 597 TYR QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 710, 711,
&end
#
# 597 TYR QB 598 GLU H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 710, 711,
&end
#
# 600 VAL HA 604 ASN QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 826, 827,
&end
#
# 600 VAL HB 604 ASN QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 826, 827,
&end
#
# 600 VAL QQG 604 ASN QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 826, 827,
&end
#
# 601 LEU H 604 ASN QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 826, 827,
&end
#
# 601 LEU QB 603 SER QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 777, 778,
igr2= 815, 816,
&end
#
# 601 LEU QB 604 ASN QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 777, 778,
igr2= 826, 827,
&end
#
# 601 LEU HG 603 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 815, 816,
&end
#
# 601 LEU HG 604 ASN QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 826, 827,
&end
#
# 601 LEU QQD 603 SER QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 815, 816,
&end
#
# 602 LEU QB 603 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 796, 797,
igr2= 815, 816,
&end
#
# 603 SER H 603 SER QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 815, 816,
&end
#
# 603 SER QB 604 ASN HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 815, 816,
&end
#
# 603 SER QB 605 ILE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 815, 816,
&end
#
# 604 ASN H 604 ASN QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 826, 827,
&end
#
# 617 DA2 QHC1 573 TYR QD 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1049,1050,1051,
igr2= 350, 359,
&end
#
# 617 DA2 QHC2 573 TYR QE 4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1053,1054,1055,
igr2= 352, 357,
&end
#
# 617 DA2 QHC2 594 TYR HE1 4
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1053,1054,1055,
&end
#
# 617 DA2 QHC1 594 TYR HD1 4
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1049,1050,1051,
&end
#
# 617 DA2 HCD3 566 TYR HE1 5
&rst
ixpk= 0, nxpk= 0, iat=1040, 224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 617 DA2 HCD1 566 TYR HE2 5
&rst
ixpk= 0, nxpk= 0, iat=1040, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 617 DA2 HCD2 594 TYR HE2 5
&rst
ixpk= 0, nxpk= 0, iat=1039, 679, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 617 DA2 HCD2 594 TYR HD2 4
&rst
ixpk= 0, nxpk= 0, iat=1039, 681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 617 DA2 QY 566 TYR HE2 4
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1053,1054,1055,
&end
#
# 617 DA2 QHC1 566 TYR HE1 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1049,1050,1051,
&end
#
# 618 TYR HH 568 GLU CD 6
&rst
ixpk= 0, nxpk= 0, iat=1072, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 576 GLU H 591 PHE HA 4.32 (#peak 2 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 2, nxpk= 0, iat= 405, 624, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 591 PHE HA 591 PHE QD 3.89 (#peak 4 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 4, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 627, 628,
&end
#
# 575 ALA HA 591 PHE HA 3.28 (#peak 5 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 5, nxpk= 0, iat= 392, 624, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 591 PHE HA 592 ILE HG12 4.40 (#peak 10 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 10, nxpk= 0, iat= 624, 643, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 575 ALA QB 591 PHE HA 3.36 (#peak 11 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 11, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 393, 394, 395,
&end
#
# 602 LEU QB 603 SER HA 3.98 (#peak 19 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 19, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 801, 802,
&end
#
# 601 LEU QQD 603 SER HA 4.71 (#peak 21 #SUP 0.42 #QF 0.42 )
&rst
ixpk= 21, nxpk= 0, iat= 777, 817, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 583 SER HA 583 SER QB 2.83 (#peak 25 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 25, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 507, 508,
&end
#
# 565 LEU HA 566 TYR H 3.05 (#peak 32 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 32, nxpk= 0, iat= 203, 225, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 565 LEU HA 573 TYR H 4.21 (#peak 33 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 33, nxpk= 0, iat= 203, 353, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 565 LEU HA 573 TYR QE 5.36 (#peak 35 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 35, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 359, 360,
&end
#
# 565 LEU HA 572 PHE QD 4.23 (#peak 36 #SUP 0.97 #QF 0.86 )
&rst
ixpk= 36, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 336, 337,
&end
#
# 565 LEU HA 572 PHE HA 3.37 (#peak 37 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 37, nxpk= 0, iat= 203, 333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 590 LYS HA 591 PHE QD 4.48 (#peak 44 #SUP 0.51 #QF 0.51 )
&rst
ixpk= 44, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 627, 628,
&end
#
# 590 LYS HA 590 LYS HG2 3.83 (#peak 47 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 47, nxpk= 0, iat= 600, 603, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 590 LYS HA 590 LYS HG3 3.85 (#peak 48 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 48, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 580 LEU HA 587 ALA QB 3.67 (#peak 55 #SUP 0.56 #QF 0.56 )
&rst
ixpk= 55, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 555, 556, 557,
&end
#
# 563 PHE HB3 564 ALA QB 4.97 (#peak 79 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 79, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 191, 192, 193,
&end
#
# 590 LYS HE3 596 ASN HA 4.46 (#peak 80 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 80, nxpk= 0, iat= 608, 700, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 590 LYS HG2 590 LYS HE3 4.16 (#peak 88 )
&rst
ixpk= 88, nxpk= 0, iat= 603, 608, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 563 PHE HB2 606 LYS H 4.52 (#peak 90 #SUP 0.80 #QF 0.68 )
&rst
ixpk= 90, nxpk= 0, iat= 177, 863, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 563 PHE H 563 PHE HB2 4.00 (#peak 91 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 91, nxpk= 0, iat= 175, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 590 LYS HE2 596 ASN HA 4.46 (#peak 94 #SUP 0.71 #QF 0.71 )
&rst
ixpk= 94, nxpk= 0, iat= 607, 700, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 590 LYS HB2 590 LYS HE2 4.69 (#peak 99 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 99, nxpk= 0, iat= 601, 607, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 590 LYS HG2 590 LYS HE2 4.16 (#peak 100 )
&rst
ixpk= 100, nxpk= 0, iat= 603, 607, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 571 LYS HA 573 TYR QE 4.77 (#peak 111 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 111, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 359, 360,
&end
#
# 571 LYS HA 572 PHE QD 4.36 (#peak 112 #SUP 0.90 #QF 0.87 )
&rst
ixpk= 112, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 336, 337,
&end
#
# 571 LYS HA 572 PHE QE 4.99 (#peak 112 #SUP 0.90 #QF 0.87 )
&rst
ixpk= 112, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 338, 339,
&end
#
# 571 LYS HA 572 PHE HB2 4.96 (#peak 115 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 115, nxpk= 0, iat= 309, 334, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 575 ALA HA 591 PHE H 4.41 (#peak 138 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 138, nxpk= 0, iat= 392, 623, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 575 ALA HA 592 ILE H 3.41 (#peak 140 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 140, nxpk= 0, iat= 392, 640, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 575 ALA HA 576 GLU QB 4.54 (#peak 142 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 142, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 407, 408,
&end
#
# 575 ALA HA 592 ILE HG12 3.82 (#peak 144 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 144, nxpk= 0, iat= 392, 643, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 570 ASN H 570 ASN HA 2.91 (#peak 148 )
&rst
ixpk= 148, nxpk= 0, iat= 293, 294, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 570 ASN HA 571 LYS H 3.46 (#peak 149 )
&rst
ixpk= 149, nxpk= 0, iat= 294, 308, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 569 ASP H 570 ASN HA 4.28 (#peak 150 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 150, nxpk= 0, iat= 281, 294, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 570 ASN HA 571 LYS HA 4.69 (#peak 151 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 151, nxpk= 0, iat= 294, 309, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 609 LEU HA 609 LEU QB 2.84 (#peak 166 )
&rst
ixpk= 166, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 919, 920,
&end
#
# 600 VAL HA 601 LEU H 2.91 (#peak 169 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 169, nxpk= 0, iat= 764, 780, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 564 ALA HA 605 ILE H 4.66 (#peak 193 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 193, nxpk= 0, iat= 190, 843, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 564 ALA HA 572 PHE QD 3.90 (#peak 194 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 194, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 336, 337,
&end
#
# 564 ALA HA 605 ILE HA 3.22 (#peak 196 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 196, nxpk= 0, iat= 190, 844, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 564 ALA HA 565 LEU HB2 4.46 (#peak 197 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 197, nxpk= 0, iat= 190, 204, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 599 GLU HA 600 VAL H 2.89 (#peak 202 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 202, nxpk= 0, iat= 751, 763, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 587 ALA H 599 GLU HA 3.57 (#peak 203 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 203, nxpk= 0, iat= 553, 751, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 588 VAL HA 599 GLU HA 3.21 (#peak 206 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 206, nxpk= 0, iat= 566, 751, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 599 GLU HA 599 GLU QG 3.59 (#peak 208 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 208, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 754, 755,
&end
#
# 599 GLU HA 599 GLU QB 3.02 (#peak 209 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 209, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 752, 753,
&end
#
# 588 VAL QG2 599 GLU HA 3.41 (#peak 211 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 211, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 571, 572, 573,
&end
#
# 589 VAL QG2 599 GLU HA 4.89 (#peak 212 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 212, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 587, 588, 589,
&end
#
# 566 TYR HA 573 TYR QD 4.48 (#peak 215 #SUP 0.49 #QF 0.49 )
&rst
ixpk= 215, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 357, 358,
&end
#
# 569 ASP HA 569 ASP HB3 2.90 (#peak 237 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 237, nxpk= 0, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 569 ASP HA 570 ASN HB2 4.30 (#peak 238 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 238, nxpk= 0, iat= 282, 295, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 569 ASP HA 569 ASP HB2 2.94 (#peak 239 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 239, nxpk= 0, iat= 282, 283, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 568 GLU HB2 569 ASP HA 5.50 (#peak 240 #SUP 0.61 #QF 0.61 )
&rst
ixpk= 240, nxpk= 0, iat= 269, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 579 ALA HA 580 LEU H 2.92 (#peak 241 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 241, nxpk= 0, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 557 LYS HA 579 ALA HA 5.50 (#peak 243 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 243, nxpk= 0, iat= 93, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 558 PRO HB2 579 ALA HA 3.70 (#peak 246 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 246, nxpk= 0, iat= 113, 448, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 579 ALA HA 580 LEU HG 4.24 (#peak 247 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 247, nxpk= 0, iat= 448, 464, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 577 VAL QG1 579 ALA HA 4.27 (#peak 250 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 250, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 421, 422, 423,
&end
#
# 560 ASP HA 577 VAL HB 4.06 (#peak 271 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 271, nxpk= 0, iat= 135, 420, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 562 CYS H 576 GLU HA 3.77 (#peak 275 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 275, nxpk= 0, iat= 159, 406, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 597 TYR HA 598 GLU HA 4.68 (#peak 286 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 286, nxpk= 0, iat= 718, 736, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 598 GLU HA 599 GLU QB 4.83 (#peak 294 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 294, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 752, 753,
&end
#
# 598 GLU HA 598 GLU QG 3.55 (#peak 295 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 295, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 739, 740,
&end
#
# 608 ILE HA 609 LEU H 3.54 (#peak 300 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 300, nxpk= 0, iat= 899, 917, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 563 PHE QD 608 ILE HA 3.68 (#peak 302 #SUP 0.65 #QF 0.41 )
&rst
ixpk= 302, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 179, 180,
&end
#
# 563 PHE QE 608 ILE HA 4.16 (#peak 302 #SUP 0.65 #QF 0.41 )
&rst
ixpk= 302, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 181, 182,
&end
#
# 562 CYS HA 608 ILE HA 4.12 (#peak 303 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 303, nxpk= 0, iat= 160, 899, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 608 ILE HA 608 ILE QG1 3.81 (#peak 308 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 308, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 901, 902,
&end
#
# 608 ILE HA 608 ILE QG2 3.03 (#peak 309 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 309, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 903, 904, 905,
&end
#
# 557 LYS H 580 LEU HG 4.45 (#peak 322 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 322, nxpk= 0, iat= 92, 464, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 557 LYS HA 580 LEU HG 4.20 (#peak 323 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 323, nxpk= 0, iat= 93, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 577 VAL QG1 580 LEU HG 4.63 (#peak 332 #SUP 0.57 #QF 0.57 )
&rst
ixpk= 332, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 421, 422, 423,
&end
#
# 578 GLU QG 579 ALA HA 4.42 (#peak 356 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 356, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 440, 441,
&end
#
# 578 GLU QG 588 VAL HB 3.77 (#peak 361 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 361, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 440, 441,
&end
#
# 578 GLU QG 579 ALA QB 4.67 (#peak 363 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 363, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 440, 441,
igr2= 449, 450, 451,
&end
#
# 568 GLU HB2 570 ASN H 5.50 (#peak 364 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 364, nxpk= 0, iat= 269, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 578 GLU H 588 VAL QG1 4.80 (#peak 372 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 372, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 568, 569, 570,
&end
#
# 588 VAL QG2 600 VAL H 4.76 (#peak 373 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 373, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 571, 572, 573,
&end
#
# 588 VAL QG1 589 VAL H 3.11 (#peak 374 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 374, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 568, 569, 570,
&end
#
# 588 VAL QG1 598 GLU H 3.78 (#peak 375 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 375, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 568, 569, 570,
&end
#
# 588 VAL H 588 VAL QG2 3.07 (#peak 376 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 376, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 571, 572, 573,
&end
#
# 588 VAL QG1 598 GLU HA 3.70 (#peak 381 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 381, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 568, 569, 570,
&end
#
# 588 VAL HA 588 VAL QG1 2.92 (#peak 382 #SUP 0.99 #QF 0.91 )
&rst
ixpk= 382, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 568, 569, 570,
&end
#
# 588 VAL HA 588 VAL QG2 3.35 (#peak 382 #SUP 0.99 #QF 0.91 )
&rst
ixpk= 382, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 571, 572, 573,
&end
#
# 588 VAL QG1 590 LYS HA 4.96 (#peak 383 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 383, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 568, 569, 570,
&end
#
# 588 VAL QG1 597 TYR HB2 3.61 (#peak 384 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 384, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 568, 569, 570,
&end
#
# 578 GLU H 589 VAL QG1 3.46 (#peak 415 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 415, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 584, 585, 586,
&end
#
# 589 VAL H 589 VAL QG1 3.40 (#peak 416 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 416, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 584, 585, 586,
&end
#
# 577 VAL H 589 VAL QG1 4.08 (#peak 417 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 417, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 584, 585, 586,
&end
#
# 589 VAL QG1 590 LYS H 4.04 (#peak 418 #SUP 0.56 #QF 0.56 )
&rst
ixpk= 418, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 584, 585, 586,
&end
#
# 576 GLU H 589 VAL QG1 5.50 (#peak 419 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 419, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 584, 585, 586,
&end
#
# 579 ALA H 589 VAL QG1 4.59 (#peak 420 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 420, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 584, 585, 586,
&end
#
# 589 VAL HA 589 VAL QG1 2.98 (#peak 421 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 421, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 584, 585, 586,
&end
#
# 588 VAL HA 589 VAL QG1 4.18 (#peak 422 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 422, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 584, 585, 586,
&end
#
# 577 VAL HA 589 VAL QG1 3.03 (#peak 423 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 423, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 584, 585, 586,
&end
#
# 577 VAL HB 589 VAL QG1 4.31 (#peak 424 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 424, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 584, 585, 586,
&end
#
# 589 VAL QG1 600 VAL HB 4.46 (#peak 425 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 425, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 584, 585, 586,
&end
#
# 587 ALA QB 589 VAL QG1 2.93 (#peak 427 #SUP 0.33 #QF 0.33 )
&rst
ixpk= 427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 555, 556, 557,
igr2= 584, 585, 586,
&end
#
# 589 VAL QG1 605 ILE QG2 3.01 (#peak 429 #SUP 0.99 #QF 0.98 )
&rst
ixpk= 429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 584, 585, 586,
igr2= 848, 849, 850,
&end
#
# 589 VAL QG1 605 ILE QD1 3.18 (#peak 430 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 430, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 584, 585, 586,
igr2= 851, 852, 853,
&end
#
# 589 VAL QG2 598 GLU QB 4.94 (#peak 445 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 587, 588, 589,
igr2= 737, 738,
&end
#
# 590 LYS HB2 597 TYR QE 4.18 (#peak 458 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 458, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 723, 724,
&end
#
# 576 GLU QB 590 LYS HB2 4.79 (#peak 461 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 461, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 407, 408,
&end
#
# 576 GLU H 590 LYS HB3 4.62 (#peak 477 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 477, nxpk= 0, iat= 405, 602, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 607 PRO HB3 608 ILE H 3.93 (#peak 485 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 485, nxpk= 0, iat= 885, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 556 TRP HZ2 562 CYS HB2 4.54 (#peak 496 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 496, nxpk= 0, iat= 80, 161, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 574 ARG H 592 ILE HG13 5.26 (#peak 523 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 523, nxpk= 0, iat= 373, 644, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 575 ALA HA 592 ILE HG13 3.66 (#peak 525 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 525, nxpk= 0, iat= 392, 644, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 591 PHE HA 592 ILE HG13 4.20 (#peak 527 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 527, nxpk= 0, iat= 624, 644, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 592 ILE QG2 592 ILE HG13 3.27 (#peak 531 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 531, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 645, 646, 647,
&end
#
# 592 ILE H 592 ILE HG12 3.85 (#peak 532 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 532, nxpk= 0, iat= 640, 643, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 558 PRO HB2 559 GLY H 3.81 (#peak 558 #SUP 0.94 #QF 0.67 )
&rst
ixpk= 558, nxpk= 0, iat= 113, 123, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 559 GLY H 577 VAL HB 4.22 (#peak 558 #SUP 0.94 #QF 0.67 )
&rst
ixpk= 558, nxpk= 0, iat= 123, 420, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 576 GLU HA 577 VAL HB 4.54 (#peak 561 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 561, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 558 PRO HB2 578 GLU HA 4.89 (#peak 562 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 562, nxpk= 0, iat= 113, 437, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 560 ASP QB 577 VAL HB 3.89 (#peak 566 #SUP 0.48 #QF 0.48 )
&rst
ixpk= 566, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 136, 137,
&end
#
# 561 GLU QB 608 ILE QG1 4.60 (#peak 584 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 149, 150,
igr2= 901, 902,
&end
#
# 561 GLU QB 592 ILE QD1 4.25 (#peak 586 #SUP 0.99 #QF 0.70 )
&rst
ixpk= 586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 149, 150,
igr2= 648, 649, 650,
&end
#
# 561 GLU QB 608 ILE QD1 3.79 (#peak 587 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 149, 150,
igr2= 906, 907, 908,
&end
#
# 566 TYR H 566 TYR HB2 4.02 (#peak 612 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 612, nxpk= 0, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 569 ASP H 570 ASN HB2 4.98 (#peak 621 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 621, nxpk= 0, iat= 281, 295, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 605 ILE HB 606 LYS H 4.18 (#peak 627 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 627, nxpk= 0, iat= 845, 863, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 605 ILE H 605 ILE HB 3.65 (#peak 628 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 628, nxpk= 0, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 564 ALA HA 605 ILE HB 4.76 (#peak 629 #SUP 1.00 )
&rst
ixpk= 629, nxpk= 0, iat= 190, 845, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 602 LEU HA 605 ILE HB 4.28 (#peak 631 #SUP 1.00 )
&rst
ixpk= 631, nxpk= 0, iat= 800, 845, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 562 CYS HB3 605 ILE HB 5.17 (#peak 632 #SUP 1.00 )
&rst
ixpk= 632, nxpk= 0, iat= 162, 845, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 602 LEU QB 605 ILE HB 5.34 (#peak 633 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 633, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 801, 802,
&end
#
# 605 ILE HB 605 ILE QD1 3.41 (#peak 637 #SUP 1.00 )
&rst
ixpk= 637, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 851, 852, 853,
&end
#
# 568 GLU HA 568 GLU HB2 2.85 (#peak 645 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 645, nxpk= 0, iat= 268, 269, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 561 GLU HA 561 GLU QG 3.77 (#peak 659 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 659, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 151, 152,
&end
#
# 560 ASP HA 561 GLU QG 4.60 (#peak 660 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 660, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 151, 152,
&end
#
# 561 GLU QB 561 GLU QG 3.00 (#peak 664 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 149, 150,
igr2= 151, 152,
&end
#
# 596 ASN QB 597 TYR H 3.77 (#peak 675 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 675, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 701, 702,
&end
#
# 565 LEU H 604 ASN HB2 4.48 (#peak 679 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 679, nxpk= 0, iat= 202, 831, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 604 ASN HB2 605 ILE H 4.09 (#peak 680 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 680, nxpk= 0, iat= 831, 843, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 562 CYS HA 608 ILE HB 4.25 (#peak 702 #SUP 1.00 #QF 0.99 )
&rst
ixpk= 702, nxpk= 0, iat= 160, 900, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 592 ILE H 592 ILE HB 3.64 (#peak 709 #SUP 1.00 )
&rst
ixpk= 709, nxpk= 0, iat= 640, 642, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 575 ALA HA 592 ILE HB 4.53 (#peak 710 #SUP 1.00 )
&rst
ixpk= 710, nxpk= 0, iat= 392, 642, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 591 PHE HA 592 ILE HB 5.14 (#peak 712 #SUP 0.56 #QF 0.56 )
&rst
ixpk= 712, nxpk= 0, iat= 624, 642, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 565 LEU HB3 605 ILE H 5.38 (#peak 719 #SUP 0.51 #QF 0.51 )
&rst
ixpk= 719, nxpk= 0, iat= 205, 843, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 585 MET QE 586 THR HB 4.96 (#peak 731 #SUP 1.00 )
&rst
ixpk= 731, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 531, 532, 533,
&end
#
# 592 ILE H 592 ILE QD1 3.88 (#peak 748 #SUP 1.00 )
&rst
ixpk= 748, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 648, 649, 650,
&end
#
# 575 ALA HA 592 ILE QD1 3.67 (#peak 749 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 749, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 648, 649, 650,
&end
#
# 561 GLU QG 592 ILE QD1 4.40 (#peak 755 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 151, 152,
igr2= 648, 649, 650,
&end
#
# 576 GLU QG 592 ILE QD1 3.48 (#peak 757 #SUP 0.97 #QF 0.61 )
&rst
ixpk= 757, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 409, 410,
igr2= 648, 649, 650,
&end
#
# 576 GLU QB 592 ILE QD1 3.53 (#peak 758 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 407, 408,
igr2= 648, 649, 650,
&end
#
# 562 CYS H 608 ILE QD1 4.35 (#peak 762 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 762, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 906, 907, 908,
&end
#
# 562 CYS HA 608 ILE QD1 3.45 (#peak 766 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 766, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 906, 907, 908,
&end
#
# 574 ARG HA 608 ILE QD1 4.48 (#peak 767 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 767, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 906, 907, 908,
&end
#
# 608 ILE HA 608 ILE QD1 3.77 (#peak 768 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 768, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 906, 907, 908,
&end
#
# 561 GLU QG 608 ILE QD1 4.05 (#peak 770 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 151, 152,
igr2= 906, 907, 908,
&end
#
# 608 ILE HB 608 ILE QD1 3.19 (#peak 772 #SUP 1.00 )
&rst
ixpk= 772, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 906, 907, 908,
&end
#
# 608 ILE QG2 608 ILE QD1 2.57 (#peak 775 #SUP 0.57 #QF 0.57 )
&rst
ixpk= 775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 903, 904, 905,
igr2= 906, 907, 908,
&end
#
# 562 CYS H 608 ILE QG2 5.50 (#peak 777 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 777, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 903, 904, 905,
&end
#
# 608 ILE H 608 ILE QG2 3.48 (#peak 778 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 778, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 903, 904, 905,
&end
#
# 608 ILE QG2 609 LEU H 3.83 (#peak 779 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 779, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 903, 904, 905,
&end
#
# 563 PHE QE 608 ILE QG2 4.23 (#peak 781 #SUP 0.60 #QF 0.25 )
&rst
ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 181, 182,
igr2= 903, 904, 905,
&end
#
# 562 CYS HA 608 ILE QG2 4.03 (#peak 782 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 782, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 903, 904, 905,
&end
#
# 608 ILE QG2 609 LEU HA 4.10 (#peak 783 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 783, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 903, 904, 905,
&end
#
# 561 GLU QG 608 ILE QG2 4.67 (#peak 786 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 151, 152,
igr2= 903, 904, 905,
&end
#
# 608 ILE QG2 609 LEU QB 3.64 (#peak 789 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 903, 904, 905,
igr2= 919, 920,
&end
#
# 592 ILE QG2 593 ASP H 4.53 (#peak 794 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 794, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 645, 646, 647,
&end
#
# 576 GLU H 592 ILE QG2 4.01 (#peak 795 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 795, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 645, 646, 647,
&end
#
# 592 ILE H 592 ILE QG2 3.82 (#peak 796 #SUP 1.00 )
&rst
ixpk= 796, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 645, 646, 647,
&end
#
# 592 ILE HA 592 ILE QG2 2.97 (#peak 800 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 800, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 645, 646, 647,
&end
#
# 605 ILE QG2 606 LYS H 3.29 (#peak 812 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 812, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 848, 849, 850,
&end
#
# 589 VAL QG2 598 GLU H 3.67 (#peak 814 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 814, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 587, 588, 589,
&end
#
# 589 VAL QG2 590 LYS H 4.19 (#peak 815 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 815, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 587, 588, 589,
&end
#
# 605 ILE H 605 ILE QG2 3.80 (#peak 817 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 817, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 848, 849, 850,
&end
#
# 556 TRP HZ2 605 ILE QG2 3.56 (#peak 818 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 818, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 848, 849, 850,
&end
#
# 556 TRP HH2 605 ILE QG2 4.82 (#peak 820 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 820, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 848, 849, 850,
&end
#
# 564 ALA HA 605 ILE QG2 3.40 (#peak 821 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 821, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 848, 849, 850,
&end
#
# 605 ILE HA 605 ILE QG2 3.01 (#peak 822 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 822, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 848, 849, 850,
&end
#
# 588 VAL HA 589 VAL QG2 3.77 (#peak 823 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 823, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 587, 588, 589,
&end
#
# 562 CYS HB2 605 ILE QG2 3.58 (#peak 826 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 826, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 848, 849, 850,
&end
#
# 562 CYS HB3 605 ILE QG2 3.58 (#peak 827 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 827, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 848, 849, 850,
&end
#
# 589 VAL QG2 600 VAL HB 4.14 (#peak 828 #SUP 0.83 #QF 0.73 )
&rst
ixpk= 828, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 587, 588, 589,
&end
#
# 589 VAL QG2 598 GLU QG 4.31 (#peak 829 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 829, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 587, 588, 589,
igr2= 739, 740,
&end
#
# 564 ALA QB 589 VAL QG2 2.81 (#peak 831 #SUP 0.99 #QF 0.68 )
&rst
ixpk= 831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 191, 192, 193,
igr2= 587, 588, 589,
&end
#
# 605 ILE QG2 605 ILE QD1 2.77 (#peak 833 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 848, 849, 850,
igr2= 851, 852, 853,
&end
#
# 605 ILE H 605 ILE QG1 4.03 (#peak 836 #SUP 0.98 #QF 0.65 )
&rst
ixpk= 836, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 846, 847,
&end
#
# 556 TRP HZ2 605 ILE QG1 5.09 (#peak 837 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 837, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 846, 847,
&end
#
# 602 LEU HA 605 ILE QG1 4.11 (#peak 838 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 838, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 846, 847,
&end
#
# 605 ILE QG2 605 ILE QG1 3.73 (#peak 841 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 841, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 848, 849, 850,
igr2= 846, 847,
&end
#
# 562 CYS HA 608 ILE QG1 3.89 (#peak 844 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 844, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 901, 902,
&end
#
# 571 LYS QD 572 PHE HA 4.76 (#peak 861 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 861, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 314, 315,
&end
#
# 574 ARG QB 592 ILE HG12 4.06 (#peak 884 #SUP 0.28 #QF 0.28 )
&rst
ixpk= 884, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 375, 376,
&end
#
# 574 ARG QB 592 ILE QD1 3.65 (#peak 885 #SUP 0.29 #QF 0.29 )
&rst
ixpk= 885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 375, 376,
igr2= 648, 649, 650,
&end
#
# 574 ARG QB 608 ILE QD1 4.23 (#peak 888 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 888, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 375, 376,
igr2= 906, 907, 908,
&end
#
# 578 GLU QB 597 TYR QE 4.75 (#peak 889 #SUP 0.40 #QF 0.40 )
&rst
ixpk= 889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 438, 439,
igr2= 723, 724,
&end
#
# 588 VAL HA 599 GLU QB 4.75 (#peak 890 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 890, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 752, 753,
&end
#
# 574 ARG QB 574 ARG QD 3.48 (#peak 891 )
&rst
ixpk= 891, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 375, 376,
igr2= 379, 380,
&end
#
# 574 ARG QB 574 ARG QG 2.50 (#peak 892 )
&rst
ixpk= 892, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 375, 376,
igr2= 377, 378,
&end
#
# 578 GLU QB 579 ALA QB 4.08 (#peak 894 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 894, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 438, 439,
igr2= 449, 450, 451,
&end
#
# 578 GLU QB 588 VAL QG1 3.37 (#peak 896 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 438, 439,
igr2= 568, 569, 570,
&end
#
# 578 GLU H 589 VAL HB 4.96 (#peak 909 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 909, nxpk= 0, iat= 436, 583, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 575 ALA QB 589 VAL HB 3.23 (#peak 913 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 913, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 393, 394, 395,
&end
#
# 576 GLU QB 577 VAL H 3.73 (#peak 916 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 916, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 407, 408,
&end
#
# 576 GLU QB 592 ILE HG12 3.76 (#peak 922 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 922, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 407, 408,
&end
#
# 576 GLU QB 590 LYS HG2 4.56 (#peak 924 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 924, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 407, 408,
&end
#
# 600 VAL H 600 VAL HB 3.62 (#peak 931 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 931, nxpk= 0, iat= 763, 765, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 576 GLU QG 577 VAL H 4.46 (#peak 932 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 932, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 409, 410,
&end
#
# 562 CYS H 576 GLU QG 4.76 (#peak 933 #SUP 0.99 #QF 0.64 )
&rst
ixpk= 933, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 409, 410,
&end
#
# 576 GLU H 576 GLU QG 3.94 (#peak 934 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 934, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 409, 410,
&end
#
# 576 GLU HA 576 GLU QG 3.24 (#peak 935 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 935, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 409, 410,
&end
#
# 576 GLU QB 576 GLU QG 2.47 (#peak 941 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 941, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 407, 408,
igr2= 409, 410,
&end
#
# 576 GLU QG 592 ILE HG13 4.58 (#peak 942 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 942, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 409, 410,
&end
#
# 576 GLU QG 592 ILE QG2 3.07 (#peak 944 #SUP 0.57 #QF 0.57 )
&rst
ixpk= 944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 409, 410,
igr2= 645, 646, 647,
&end
#
# 600 VAL HB 605 ILE QD1 4.11 (#peak 946 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 946, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 851, 852, 853,
&end
#
# 607 PRO HB2 608 ILE HA 4.62 (#peak 959 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 959, nxpk= 0, iat= 884, 899, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 585 MET H 585 MET QG 4.49 (#peak 963 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 963, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 529, 530,
&end
#
# 585 MET HA 585 MET QG 3.69 (#peak 964 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 964, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 529, 530,
&end
#
# 585 MET QG 586 THR HB 5.30 (#peak 965 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 965, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 529, 530,
&end
#
# 585 MET QG 585 MET QE 3.35 (#peak 968 #SUP 1.00 #QF 0.61 )
&rst
ixpk= 968, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 529, 530,
igr2= 531, 532, 533,
&end
#
# 556 TRP HB2 602 LEU QQD 3.93 (#peak 972 #SUP 0.38 #QF 0.38 )
&rst
ixpk= 972, nxpk= 0, iat= 75, 796, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 559 GLY HA2 560 ASP QB 4.81 (#peak 986 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 986, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 136, 137,
&end
#
# 556 TRP HD1 580 LEU QB 4.60 (#peak 1008 #SUP 0.64 #QF 0.49 )
&rst
ixpk= 1008, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 462, 463,
&end
#
# 565 LEU HB2 605 ILE H 5.22 (#peak 1013 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 1013, nxpk= 0, iat= 204, 843, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 608 ILE QG1 609 LEU QB 5.29 (#peak 1023 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 1023, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 901, 902,
igr2= 919, 920,
&end
#
# 595 GLY HA2 596 ASN HA 4.54 (#peak 1048 #SUP 0.35 #QF 0.35 )
&rst
ixpk= 1048, nxpk= 0, iat= 689, 700, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 595 GLY HA3 596 ASN HA 4.63 (#peak 1057 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 1057, nxpk= 0, iat= 690, 700, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 590 LYS HG2 595 GLY HA3 5.50 (#peak 1062 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 1062, nxpk= 0, iat= 603, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 559 GLY HA2 576 GLU QB 5.10 (#peak 1071 #SUP 0.37 #QF 0.37 )
&rst
ixpk= 1071, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 407, 408,
&end
#
# 558 PRO HB2 559 GLY HA2 5.08 (#peak 1072 #SUP 0.73 #QF 0.28 )
&rst
ixpk= 1072, nxpk= 0, iat= 113, 124, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 559 GLY HA2 577 VAL HB 5.31 (#peak 1072 #SUP 0.73 #QF 0.28 )
&rst
ixpk= 1072, nxpk= 0, iat= 124, 420, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 556 TRP HD1 602 LEU HA 4.16 (#peak 1076 #SUP 1.00 #QF 0.76 )
&rst
ixpk= 1076, nxpk= 0, iat= 77, 800, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 601 LEU HA 602 LEU HA 4.40 (#peak 1078 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 1078, nxpk= 0, iat= 781, 800, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 602 LEU HA 602 LEU QB 2.95 (#peak 1080 #SUP 1.00 )
&rst
ixpk= 1080, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 801, 802,
&end
#
# 602 LEU HA 602 LEU HG 3.52 (#peak 1081 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 1081, nxpk= 0, iat= 800, 803, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 587 ALA QB 602 LEU HA 4.13 (#peak 1082 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 1082, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 555, 556, 557,
&end
#
# 602 LEU HA 605 ILE QG2 4.85 (#peak 1084 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1084, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 848, 849, 850,
&end
#
# 602 LEU HA 605 ILE QD1 3.35 (#peak 1085 #SUP 1.00 )
&rst
ixpk= 1085, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 851, 852, 853,
&end
#
# 567 TRP HA 570 ASN H 4.12 (#peak 1087 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 1087, nxpk= 0, iat= 249, 293, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 566 TYR HA 567 TRP HA 5.11 (#peak 1089 #SUP 1.00 #QF 0.98 )
&rst
ixpk= 1089, nxpk= 0, iat= 226, 249, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 586 THR HA 587 ALA HA 5.47 (#peak 1089 #SUP 1.00 #QF 0.98 )
&rst
ixpk= 1089, nxpk= 0, iat= 542, 554, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 567 TRP HA 567 TRP HB2 2.88 (#peak 1093 )
&rst
ixpk= 1093, nxpk= 0, iat= 249, 250, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 567 TRP HA 567 TRP HB3 2.94 (#peak 1094 )
&rst
ixpk= 1094, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 567 TRP HA 568 GLU HA 5.00 (#peak 1095 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 1095, nxpk= 0, iat= 249, 268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 586 THR HA 601 LEU QQD 4.25 (#peak 1096 #SUP 0.24 #QF 0.24 )
&rst
ixpk= 1096, nxpk= 0, iat= 542, 777, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 565 LEU HG 567 TRP HA 4.90 (#peak 1097 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 1097, nxpk= 0, iat= 206, 249, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 562 CYS H 574 ARG HA 5.27 (#peak 1109 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 1109, nxpk= 0, iat= 159, 374, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 565 LEU HB2 605 ILE HA 4.51 (#peak 1136 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 1136, nxpk= 0, iat= 204, 844, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 607 PRO HA 608 ILE HA 4.53 (#peak 1150 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 1150, nxpk= 0, iat= 883, 899, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 607 PRO HA 608 ILE HB 4.54 (#peak 1153 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 1153, nxpk= 0, iat= 883, 900, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 597 TYR HA 598 GLU H 3.03 (#peak 1157 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1157, nxpk= 0, iat= 718, 735, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 596 ASN HA 597 TYR HA 4.59 (#peak 1161 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 1161, nxpk= 0, iat= 700, 718, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 590 LYS HA 597 TYR HA 3.31 (#peak 1162 #SUP 1.00 )
&rst
ixpk= 1162, nxpk= 0, iat= 600, 718, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 588 VAL QG1 597 TYR HA 4.22 (#peak 1165 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 1165, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 568, 569, 570,
&end
#
# 563 PHE HA 573 TYR H 4.75 (#peak 1168 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 1168, nxpk= 0, iat= 176, 353, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 563 PHE HA 564 ALA QB 4.22 (#peak 1174 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 1174, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 191, 192, 193,
&end
#
# 563 PHE HA 575 ALA QB 4.46 (#peak 1175 #SUP 0.44 #QF 0.44 )
&rst
ixpk= 1175, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 393, 394, 395,
&end
#
# 578 GLU H 589 VAL HA 3.32 (#peak 1177 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 1177, nxpk= 0, iat= 436, 582, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 588 VAL HB 589 VAL HA 4.52 (#peak 1181 #SUP 0.50 #QF 0.50 )
&rst
ixpk= 1181, nxpk= 0, iat= 567, 582, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 577 VAL QG2 589 VAL HA 3.86 (#peak 1183 #SUP 0.47 #QF 0.47 )
&rst
ixpk= 1183, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 424, 425, 426,
&end
#
# 589 VAL HA 589 VAL QG2 3.94 (#peak 1185 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 1185, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 587, 588, 589,
&end
#
# 573 TYR HA 574 ARG H 3.12 (#peak 1186 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1186, nxpk= 0, iat= 354, 373, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 563 PHE QD 573 TYR HA 4.28 (#peak 1190 #SUP 0.85 #QF 0.62 )
&rst
ixpk= 1190, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 179, 180,
&end
#
# 563 PHE QE 573 TYR HA 4.72 (#peak 1190 #SUP 0.85 #QF 0.62 )
&rst
ixpk= 1190, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 181, 182,
&end
#
# 573 TYR HA 574 ARG HA 4.54 (#peak 1194 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 1194, nxpk= 0, iat= 354, 374, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 573 TYR HA 574 ARG QB 4.64 (#peak 1197 #SUP 0.42 #QF 0.42 )
&rst
ixpk= 1197, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 375, 376,
&end
#
# 586 THR HB 587 ALA H 3.18 (#peak 1202 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1202, nxpk= 0, iat= 543, 553, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 586 THR HB 599 GLU HA 3.62 (#peak 1203 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 1203, nxpk= 0, iat= 543, 751, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 586 THR HB 599 GLU QG 3.68 (#peak 1207 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 1207, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 754, 755,
&end
#
# 586 THR HB 599 GLU QB 3.40 (#peak 1208 #SUP 0.56 #QF 0.56 )
&rst
ixpk= 1208, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 752, 753,
&end
#
# 592 ILE HA 592 ILE HG13 3.75 (#peak 1218 #SUP 1.00 )
&rst
ixpk= 1218, nxpk= 0, iat= 641, 644, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 592 ILE HA 592 ILE HG12 3.77 (#peak 1219 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1219, nxpk= 0, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 590 LYS HG2 592 ILE HA 4.42 (#peak 1221 #SUP 0.33 #QF 0.33 )
&rst
ixpk= 1221, nxpk= 0, iat= 603, 641, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 577 VAL HA 578 GLU H 3.07 (#peak 1222 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 1222, nxpk= 0, iat= 419, 436, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 577 VAL HA 579 ALA H 4.26 (#peak 1225 #SUP 0.64 #QF 0.64 )
&rst
ixpk= 1225, nxpk= 0, iat= 419, 447, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 577 VAL HA 589 VAL HA 3.36 (#peak 1226 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 1226, nxpk= 0, iat= 419, 582, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 577 VAL HA 578 GLU HA 4.47 (#peak 1227 #SUP 0.71 #QF 0.71 )
&rst
ixpk= 1227, nxpk= 0, iat= 419, 437, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 577 VAL HA 589 VAL HB 4.31 (#peak 1231 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 1231, nxpk= 0, iat= 419, 583, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 577 VAL HA 587 ALA QB 5.18 (#peak 1232 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 1232, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 555, 556, 557,
&end
#
# 558 PRO HA 559 GLY H 2.91 (#peak 1240 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 1240, nxpk= 0, iat= 112, 123, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 558 PRO HA 560 ASP H 4.14 (#peak 1241 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 1241, nxpk= 0, iat= 112, 134, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 558 PRO HA 578 GLU HA 4.19 (#peak 1242 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 1242, nxpk= 0, iat= 112, 437, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 558 PRO HA 580 LEU HG 3.65 (#peak 1245 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 1245, nxpk= 0, iat= 112, 464, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 594 TYR HA 594 TYR QD 4.52 (#peak 1310 #SUP 0.46 #QF 0.46 )
&rst
ixpk= 1310, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 679, 680,
&end
#
# 591 PHE HA 594 TYR QD 4.45 (#peak 1311 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 1311, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 679, 680,
&end
#
# 567 TRP HH2 568 GLU HB3 5.50 (#peak 1318 #SUP 0.71 #QF 0.71 )
&rst
ixpk= 1318, nxpk= 0, iat= 257, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 565 LEU H 565 LEU QD2 4.77 (#peak 1329 #SUP 1.00 #QF 0.97 )
&rst
ixpk= 1329, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 210, 211, 212,
&end
#
# 565 LEU HB2 565 LEU QD1 4.03 (#peak 1338 #SUP 1.00 )
&rst
ixpk= 1338, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 207, 208, 209,
&end
#
# 565 LEU HB2 565 LEU QD2 4.03 (#peak 1338 #SUP 1.00 )
&rst
ixpk= 1338, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 210, 211, 212,
&end
#
# 565 LEU QD1 600 VAL QQG 5.48 (#peak 1339 #SUP 0.98 #QF 0.57 )
&rst
ixpk= 1339, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 207, 208, 209,
&end
#
# 565 LEU QD2 600 VAL QQG 5.48 (#peak 1339 #SUP 0.98 #QF 0.57 )
&rst
ixpk= 1339, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 210, 211, 212,
&end
#
# 556 TRP HZ2 605 ILE QD1 4.78 (#peak 1346 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1346, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 851, 852, 853,
&end
#
# 605 ILE HA 605 ILE QD1 4.04 (#peak 1347 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1347, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 851, 852, 853,
&end
#
# 602 LEU QB 605 ILE QD1 4.12 (#peak 1350 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 1350, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 801, 802,
igr2= 851, 852, 853,
&end
#
# 587 ALA QB 605 ILE QD1 2.97 (#peak 1352 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 555, 556, 557,
igr2= 851, 852, 853,
&end
#
# 578 GLU H 579 ALA QB 4.49 (#peak 1361 #SUP 1.00 )
&rst
ixpk= 1361, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 449, 450, 451,
&end
#
# 579 ALA QB 580 LEU H 3.41 (#peak 1363 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1363, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 449, 450, 451,
&end
#
# 579 ALA QB 588 VAL H 3.74 (#peak 1364 #SUP 1.00 )
&rst
ixpk= 1364, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 449, 450, 451,
&end
#
# 579 ALA QB 581 HIS H 5.11 (#peak 1365 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 1365, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 449, 450, 451,
&end
#
# 579 ALA H 579 ALA QB 3.08 (#peak 1366 #SUP 1.00 )
&rst
ixpk= 1366, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 449, 450, 451,
&end
#
# 579 ALA QB 587 ALA HA 5.23 (#peak 1367 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 1367, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 449, 450, 451,
&end
#
# 579 ALA QB 588 VAL HB 2.74 (#peak 1372 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 1372, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 449, 450, 451,
&end
#
# 579 ALA QB 588 VAL QG2 2.79 (#peak 1376 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 1376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 449, 450, 451,
igr2= 571, 572, 573,
&end
#
# 587 ALA QB 600 VAL H 3.96 (#peak 1378 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 1378, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 555, 556, 557,
&end
#
# 600 VAL H 600 VAL QQG 3.66 (#peak 1379 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1379, nxpk= 0, iat= 763, 760, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 587 ALA H 587 ALA QB 3.15 (#peak 1380 #SUP 1.00 )
&rst
ixpk= 1380, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 555, 556, 557,
&end
#
# 587 ALA QB 588 VAL H 2.98 (#peak 1381 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 1381, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 555, 556, 557,
&end
#
# 600 VAL QQG 604 ASN H 4.16 (#peak 1382 #SUP 0.64 #QF 0.64 )
&rst
ixpk= 1382, nxpk= 0, iat= 760, 829, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 581 HIS H 587 ALA QB 4.29 (#peak 1383 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 1383, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 555, 556, 557,
&end
#
# 565 LEU H 600 VAL QQG 3.61 (#peak 1384 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 1384, nxpk= 0, iat= 202, 760, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 599 GLU HA 600 VAL QQG 3.86 (#peak 1386 #SUP 0.83 #QF 0.77 )
&rst
ixpk= 1386, nxpk= 0, iat= 751, 760, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 600 VAL QQG 605 ILE HA 4.25 (#peak 1386 #SUP 0.83 #QF 0.77 )
&rst
ixpk= 1386, nxpk= 0, iat= 760, 844, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 600 VAL HA 600 VAL QQG 3.07 (#peak 1389 #SUP 1.00 )
&rst
ixpk= 1389, nxpk= 0, iat= 764, 760, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 600 VAL QQG 601 LEU HA 4.60 (#peak 1390 #SUP 0.50 #QF 0.50 )
&rst
ixpk= 1390, nxpk= 0, iat= 760, 781, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 600 VAL QQG 604 ASN HB2 3.75 (#peak 1392 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1392, nxpk= 0, iat= 760, 831, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 600 VAL QQG 604 ASN HB3 3.75 (#peak 1393 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 1393, nxpk= 0, iat= 760, 832, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 598 GLU QB 600 VAL QQG 4.37 (#peak 1394 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 1394, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 737, 738,
&end
#
# 580 LEU QB 587 ALA QB 3.38 (#peak 1397 #SUP 0.77 #QF 0.33 )
&rst
ixpk= 1397, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 462, 463,
igr2= 555, 556, 557,
&end
#
# 600 VAL QQG 605 ILE QG1 2.88 (#peak 1398 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 1398, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 846, 847,
&end
#
# 587 ALA QB 605 ILE QG1 3.51 (#peak 1399 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 1399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 555, 556, 557,
igr2= 846, 847,
&end
#
# 589 VAL QG2 600 VAL QQG 2.98 (#peak 1401 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 1401, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 587, 588, 589,
&end
#
# 564 ALA H 564 ALA QB 3.10 (#peak 1412 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1412, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 191, 192, 193,
&end
#
# 563 PHE H 564 ALA QB 5.36 (#peak 1413 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 1413, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 191, 192, 193,
&end
#
# 564 ALA QB 605 ILE HA 3.51 (#peak 1417 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1417, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 191, 192, 193,
&end
#
# 564 ALA QB 605 ILE QG2 3.15 (#peak 1418 #SUP 0.98 #QF 0.68 )
&rst
ixpk= 1418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 191, 192, 193,
igr2= 848, 849, 850,
&end
#
# 585 MET HA 601 LEU QQD 3.58 (#peak 1441 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 1441, nxpk= 0, iat= 526, 777, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 585 MET QB 601 LEU QQD 4.08 (#peak 1444 #SUP 0.61 #QF 0.61 )
&rst
ixpk= 1444, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 527, 528,
&end
#
# 601 LEU QQD 602 LEU HG 3.55 (#peak 1445 #SUP 0.42 #QF 0.42 )
&rst
ixpk= 1445, nxpk= 0, iat= 777, 803, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 565 LEU H 565 LEU HG 4.73 (#peak 1462 #SUP 1.00 )
&rst
ixpk= 1462, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 565 LEU HG 604 ASN HA 5.11 (#peak 1464 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1464, nxpk= 0, iat= 206, 830, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 565 LEU HG 570 ASN HA 3.70 (#peak 1465 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 1465, nxpk= 0, iat= 206, 294, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 556 TRP HE1 602 LEU QQD 4.62 (#peak 1475 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 1475, nxpk= 0, iat= 78, 796, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 587 ALA H 602 LEU QQD 4.16 (#peak 1476 #SUP 0.47 #QF 0.47 )
&rst
ixpk= 1476, nxpk= 0, iat= 553, 796, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 588 VAL H 602 LEU QQD 4.88 (#peak 1477 #SUP 0.51 #QF 0.51 )
&rst
ixpk= 1477, nxpk= 0, iat= 565, 796, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, &end
#
# 602 LEU H 602 LEU QQD 3.75 (#peak 1478 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 1478, nxpk= 0, iat= 799, 796, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 556 TRP H 602 LEU QQD 4.61 (#peak 1479 #SUP 0.72 #QF 0.44 )
&rst
ixpk= 1479, nxpk= 0, iat= 73, 796, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 556 TRP HD1 602 LEU QQD 3.23 (#peak 1480 #SUP 0.40 #QF 0.40 )
&rst
ixpk= 1480, nxpk= 0, iat= 77, 796, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 602 LEU HA 602 LEU QQD 2.87 (#peak 1483 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 1483, nxpk= 0, iat= 800, 796, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 602 LEU QB 602 LEU QQD 2.83 (#peak 1484 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 1484, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 801, 802,
&end
#
# 602 LEU QQD 605 ILE QD1 2.90 (#peak 1489 #SUP 0.64 #QF 0.64 )
&rst
ixpk= 1489, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 851, 852, 853,
&end
#
# 577 VAL QG2 578 GLU H 3.86 (#peak 1490 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 1490, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 424, 425, 426,
&end
#
# 577 VAL H 577 VAL QG2 2.95 (#peak 1491 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1491, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 424, 425, 426,
&end
#
# 562 CYS H 577 VAL QG2 4.49 (#peak 1492 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 1492, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 424, 425, 426,
&end
#
# 560 ASP H 577 VAL QG2 3.70 (#peak 1493 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1493, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 424, 425, 426,
&end
#
# 556 TRP HZ2 577 VAL QG2 5.01 (#peak 1494 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 1494, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 424, 425, 426,
&end
#
# 576 GLU HA 577 VAL QG2 4.16 (#peak 1495 #SUP 0.61 #QF 0.61 )
&rst
ixpk= 1495, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 424, 425, 426,
&end
#
# 560 ASP HA 577 VAL QG2 4.85 (#peak 1496 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 1496, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 424, 425, 426,
&end
#
# 558 PRO HA 577 VAL QG2 4.45 (#peak 1497 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 1497, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 424, 425, 426,
&end
#
# 577 VAL HA 577 VAL QG2 3.11 (#peak 1498 #SUP 1.00 )
&rst
ixpk= 1498, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 424, 425, 426,
&end
#
# 577 VAL QG2 587 ALA QB 4.03 (#peak 1502 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 1502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 424, 425, 426,
igr2= 555, 556, 557,
&end
#
# 577 VAL QG2 605 ILE QG2 3.72 (#peak 1505 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 1505, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 424, 425, 426,
igr2= 848, 849, 850,
&end
#
# 577 VAL QG2 605 ILE QD1 3.37 (#peak 1506 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 1506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 424, 425, 426,
igr2= 851, 852, 853,
&end
#
# 559 GLY H 577 VAL QG1 3.28 (#peak 1507 #SUP 1.00 #QF 0.92 )
&rst
ixpk= 1507, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 421, 422, 423,
&end
#
# 577 VAL QG1 578 GLU H 3.66 (#peak 1507 #SUP 1.00 #QF 0.92 )
&rst
ixpk= 1507, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 421, 422, 423,
&end
#
# 577 VAL QG1 580 LEU H 3.63 (#peak 1508 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 1508, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 421, 422, 423,
&end
#
# 560 ASP H 577 VAL QG1 3.81 (#peak 1510 #SUP 1.00 )
&rst
ixpk= 1510, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 421, 422, 423,
&end
#
# 577 VAL QG1 579 ALA H 3.36 (#peak 1511 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1511, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 421, 422, 423,
&end
#
# 577 VAL QG1 589 VAL HA 4.20 (#peak 1512 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 1512, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 421, 422, 423,
&end
#
# 560 ASP HA 577 VAL QG1 5.14 (#peak 1513 #SUP 0.92 #QF 0.78 )
&rst
ixpk= 1513, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 421, 422, 423,
&end
#
# 577 VAL QG1 580 LEU HA 5.43 (#peak 1513 #SUP 0.92 #QF 0.78 )
&rst
ixpk= 1513, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 421, 422, 423,
&end
#
# 559 GLY HA3 577 VAL QG1 4.87 (#peak 1514 #SUP 1.00 #QF 0.53 )
&rst
ixpk= 1514, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 421, 422, 423,
&end
#
# 558 PRO HA 577 VAL QG1 3.23 (#peak 1515 #SUP 1.00 )
&rst
ixpk= 1515, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 421, 422, 423,
&end
#
# 577 VAL HA 577 VAL QG1 3.14 (#peak 1516 #SUP 1.00 )
&rst
ixpk= 1516, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 421, 422, 423,
&end
#
# 556 TRP HB3 577 VAL QG1 4.21 (#peak 1517 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 1517, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 421, 422, 423,
&end
#
# 558 PRO HB3 577 VAL QG1 3.92 (#peak 1518 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 1518, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 421, 422, 423,
&end
#
# 577 VAL QG1 579 ALA QB 4.58 (#peak 1520 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 1520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 421, 422, 423,
igr2= 449, 450, 451,
&end
#
# 577 VAL QG1 605 ILE QD1 4.59 (#peak 1525 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1525, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 421, 422, 423,
igr2= 851, 852, 853,
&end
#
# 575 ALA QB 590 LYS H 3.67 (#peak 1543 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 1543, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 393, 394, 395,
&end
#
# 597 TYR HB3 598 GLU H 4.22 (#peak 1594 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1594, nxpk= 0, iat= 720, 735, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 597 TYR H 597 TYR HB3 4.06 (#peak 1595 #SUP 1.00 )
&rst
ixpk= 1595, nxpk= 0, iat= 717, 720, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 571 LYS QG 571 LYS QE 3.94 (#peak 1624 )
&rst
ixpk= 1624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 312, 313,
igr2= 316, 317,
&end
#
# 575 ALA HA 592 ILE QG2 4.60 (#peak 1628 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 1628, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 645, 646, 647,
&end
#
# 608 ILE HA 609 LEU HA 4.67 (#peak 1630 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 1630, nxpk= 0, iat= 899, 918, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 560 ASP HA 561 GLU QB 4.72 (#peak 1644 #SUP 0.38 #QF 0.38 )
&rst
ixpk= 1644, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 149, 150,
&end
#
# 592 ILE H 592 ILE HG13 3.86 (#peak 1665 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1665, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 596 ASN H 596 ASN QB 4.09 (#peak 1697 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 1697, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 701, 702,
&end
#
# 563 PHE HA 608 ILE QD1 4.62 (#peak 1702 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 1702, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 906, 907, 908,
&end
#
# 561 GLU QG 608 ILE QG1 5.34 (#peak 1709 #SUP 0.87 #QF 0.51 )
&rst
ixpk= 1709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 151, 152,
igr2= 901, 902,
&end
#
# 574 ARG QB 592 ILE H 4.44 (#peak 1715 #SUP 0.31 #QF 0.31 )
&rst
ixpk= 1715, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 375, 376,
&end
#
# 574 ARG QB 575 ALA H 3.74 (#peak 1716 #SUP 0.36 #QF 0.36 )
&rst
ixpk= 1716, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 375, 376,
&end
#
# 607 PRO HB2 609 LEU QB 5.50 (#peak 1727 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 1727, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 919, 920,
&end
#
# 607 PRO HB2 608 ILE QG1 5.50 (#peak 1728 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 1728, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 901, 902,
&end
#
# 585 MET QG 586 THR H 4.91 (#peak 1732 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 1732, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 529, 530,
&end
#
# 558 PRO HA 580 LEU QB 5.00 (#peak 1744 #SUP 0.85 #QF 0.64 )
&rst
ixpk= 1744, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 462, 463,
&end
#
# 601 LEU QB 602 LEU HA 5.47 (#peak 1744 #SUP 0.85 #QF 0.64 )
&rst
ixpk= 1744, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 782, 783,
&end
#
# 590 LYS HE3 595 GLY HA2 5.31 (#peak 1753 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 1753, nxpk= 0, iat= 608, 689, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 590 LYS HD2 595 GLY HA3 5.50 (#peak 1757 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 1757, nxpk= 0, iat= 605, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 586 THR HA 602 LEU HA 4.72 (#peak 1762 #SUP 0.28 #QF 0.28 )
&rst
ixpk= 1762, nxpk= 0, iat= 542, 800, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 567 TRP HA 569 ASP H 4.73 (#peak 1765 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 1765, nxpk= 0, iat= 249, 281, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 566 TYR QD 567 TRP HA 5.24 (#peak 1766 #SUP 0.51 #QF 0.51 )
&rst
ixpk= 1766, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 229, 230,
&end
#
# 578 GLU QB 578 GLU QG 2.63 (#peak 1967 )
&rst
ixpk= 1967, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 438, 439,
igr2= 440, 441,
&end
#
# 601 LEU QB 601 LEU QQD 2.49 (#peak 1973 #SUP 0.93 #QF 0.87 )
&rst
ixpk= 1973, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 782, 783,
&end
#
# 588 VAL QG1 597 TYR HB3 3.61 (#peak 1984 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 1984, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 568, 569, 570,
&end
#
# 586 THR QG2 601 LEU HA 2.89 (#peak 1986 #SUP 0.41 #QF 0.41 )
&rst
ixpk= 1986, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 545, 546, 547,
&end
#
# 586 THR H 586 THR QG2 3.71 (#peak 1991 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 1991, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 545, 546, 547,
&end
#
# 586 THR QG2 602 LEU H 4.42 (#peak 1992 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 1992, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 545, 546, 547,
&end
#
# 586 THR QG2 587 ALA H 3.72 (#peak 1993 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 1993, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 545, 546, 547,
&end
#
# 586 THR QG2 600 VAL H 4.06 (#peak 1994 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 1994, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 545, 546, 547,
&end
#
# 585 MET QE 586 THR QG2 2.98 (#peak 1995 #SUP 0.47 #QF 0.47 )
&rst
ixpk= 1995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 531, 532, 533,
igr2= 545, 546, 547,
&end
#
# 577 VAL QG1 588 VAL HB 5.38 (#peak 2006 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 2006, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 421, 422, 423,
&end
#
# 574 ARG H 574 ARG QB 3.34 (#peak 2017 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 2017, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 375, 376,
&end
#
# 586 THR QG2 599 GLU QB 3.78 (#peak 2028 #SUP 0.54 #QF 0.38 )
&rst
ixpk= 2028, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 545, 546, 547,
igr2= 752, 753,
&end
#
# 599 GLU QB 600 VAL QQG 4.65 (#peak 2029 #SUP 0.31 #QF 0.31 )
&rst
ixpk= 2029, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 752, 753,
&end
#
# 586 THR HA 599 GLU QB 4.78 (#peak 2031 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 2031, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 752, 753,
&end
#
# 599 GLU QB 599 GLU QG 2.65 (#peak 2034 )
&rst
ixpk= 2034, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 752, 753,
igr2= 754, 755,
&end
#
# 565 LEU HB3 566 TYR HA 5.30 (#peak 2061 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 2061, nxpk= 0, iat= 205, 226, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 565 LEU HB2 604 ASN HA 4.88 (#peak 2062 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 2062, nxpk= 0, iat= 204, 830, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 585 MET HA 585 MET QB 3.01 (#peak 2076 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 2076, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 527, 528,
&end
#
# 602 LEU QB 602 LEU HG 2.97 (#peak 2082 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 2082, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 801, 802,
&end
#
# 587 ALA H 600 VAL HB 4.97 (#peak 2089 #SUP 0.80 #QF 0.73 )
&rst
ixpk= 2089, nxpk= 0, iat= 553, 765, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 578 GLU QB 579 ALA H 3.78 (#peak 2097 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 2097, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 438, 439,
&end
#
# 569 ASP HB3 571 LYS HB2 4.85 (#peak 2099 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 2099, nxpk= 0, iat= 284, 310, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 571 LYS H 571 LYS HB2 4.04 (#peak 2105 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 2105, nxpk= 0, iat= 308, 310, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 571 LYS HB2 572 PHE H 4.52 (#peak 2107 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 2107, nxpk= 0, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 598 GLU QG 599 GLU H 4.51 (#peak 2108 #SUP 0.39 #QF 0.39 )
&rst
ixpk= 2108, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 739, 740,
&end
#
# 585 MET QB 586 THR QG2 4.17 (#peak 2123 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 2123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 527, 528,
igr2= 545, 546, 547,
&end
#
# 592 ILE HB 592 ILE QD1 3.36 (#peak 2129 #SUP 1.00 )
&rst
ixpk= 2129, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 648, 649, 650,
&end
#
# 592 ILE HA 592 ILE QD1 3.82 (#peak 2130 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 2130, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 648, 649, 650,
&end
#
# 592 ILE QG2 592 ILE QD1 2.40 (#peak 2131 )
&rst
ixpk= 2131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 645, 646, 647,
igr2= 648, 649, 650,
&end
#
# 587 ALA QB 602 LEU QQD 2.54 (#peak 2132 #SUP 0.40 #QF 0.40 )
&rst
ixpk= 2132, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 555, 556, 557,
&end
#
# 565 LEU HG 566 TYR H 4.73 (#peak 2139 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 2139, nxpk= 0, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 565 LEU HA 565 LEU HG 3.99 (#peak 2140 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 2140, nxpk= 0, iat= 203, 206, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 565 LEU HG 600 VAL QQG 5.03 (#peak 2141 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 2141, nxpk= 0, iat= 206, 760, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, &end
#
# 564 ALA QB 565 LEU HA 5.04 (#peak 2144 #SUP 0.98 #QF 0.87 )
&rst
ixpk= 2144, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 191, 192, 193,
&end
#
# 565 LEU HA 600 VAL QQG 5.42 (#peak 2144 #SUP 0.98 #QF 0.87 )
&rst
ixpk= 2144, nxpk= 0, iat= 203, 760, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12, &end
#
# 565 LEU HB2 600 VAL QQG 4.28 (#peak 2145 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 2145, nxpk= 0, iat= 204, 760, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 565 LEU HB3 600 VAL QQG 4.75 (#peak 2146 #SUP 0.83 #QF 0.41 )
&rst
ixpk= 2146, nxpk= 0, iat= 205, 760, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 591 PHE QB 594 TYR HA 4.85 (#peak 2158 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 2158, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 625, 626,
&end
#
# 575 ALA HA 591 PHE QB 4.92 (#peak 2159 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 2159, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 625, 626,
&end
#
# 573 TYR HB3 591 PHE QB 4.92 (#peak 2160 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 2160, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 625, 626,
&end
#
# 569 ASP HB2 570 ASN HB3 5.33 (#peak 2165 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 2165, nxpk= 0, iat= 283, 296, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 565 LEU HG 570 ASN HB2 5.50 (#peak 2167 #SUP 0.99 #QF 0.77 )
&rst
ixpk= 2167, nxpk= 0, iat= 206, 295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 565 LEU HG 572 PHE QD 5.46 (#peak 2168 #SUP 0.78 #QF 0.41 )
&rst
ixpk= 2168, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 336, 337,
&end
#
# 565 LEU HG 572 PHE QE 5.50 (#peak 2168 #SUP 0.78 #QF 0.41 )
&rst
ixpk= 2168, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 338, 339,
&end
#
# 565 LEU HG 571 LYS H 5.31 (#peak 2169 #SUP 1.00 )
&rst
ixpk= 2169, nxpk= 0, iat= 206, 308, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 590 LYS HA 590 LYS HD3 4.87 (#peak 2176 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 2176, nxpk= 0, iat= 600, 606, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 590 LYS HA 590 LYS HD2 4.54 (#peak 2177 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 2177, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 590 LYS H 590 LYS HD3 5.05 (#peak 2178 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 2178, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 590 LYS HD2 596 ASN H 5.11 (#peak 2179 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 2179, nxpk= 0, iat= 605, 699, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 575 ALA QB 590 LYS HB3 4.79 (#peak 2189 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 2189, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 393, 394, 395,
&end
#
# 571 LYS HB3 572 PHE QD 5.37 (#peak 2190 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 2190, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 336, 337,
&end
#
# 590 LYS HB2 597 TYR HA 5.04 (#peak 2193 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 2193, nxpk= 0, iat= 601, 718, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 576 GLU H 590 LYS HB2 5.31 (#peak 2194 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 2194, nxpk= 0, iat= 405, 601, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 592 ILE HG12 608 ILE QD1 5.50 (#peak 2196 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 2196, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 906, 907, 908,
&end
#
# 576 GLU QG 592 ILE HG12 5.41 (#peak 2198 #SUP 1.00 #QF 0.59 )
&rst
ixpk= 2198, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 409, 410,
&end
#
# 570 ASN HB3 571 LYS QG 5.50 (#peak 2199 #SUP 0.36 #QF 0.36 )
&rst
ixpk= 2199, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 312, 313,
&end
#
# 590 LYS HD3 596 ASN HA 5.04 (#peak 2214 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 2214, nxpk= 0, iat= 606, 700, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 571 LYS HB3 571 LYS QG 2.86 (#peak 2231 )
&rst
ixpk= 2231, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 312, 313,
&end
#
# 569 ASP HB2 571 LYS HB2 4.34 (#peak 2244 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 2244, nxpk= 0, iat= 283, 310, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 590 LYS H 590 LYS HB3 3.82 (#peak 2253 #SUP 0.48 #QF 0.48 )
&rst
ixpk= 2253, nxpk= 0, iat= 599, 602, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 590 LYS HA 596 ASN HA 4.63 (#peak 2258 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 2258, nxpk= 0, iat= 600, 700, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 590 LYS HB2 590 LYS HE3 4.69 (#peak 2273 #SUP 1.00 )
&rst
ixpk= 2273, nxpk= 0, iat= 601, 608, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 563 PHE HA 574 ARG HA 3.36 (#peak 2288 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 2288, nxpk= 0, iat= 176, 374, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 574 ARG HA 575 ALA H 2.92 (#peak 2292 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 2292, nxpk= 0, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 574 ARG HA 575 ALA QB 4.45 (#peak 2296 #SUP 0.94 #QF 0.62 )
&rst
ixpk= 2296, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 393, 394, 395,
&end
#
# 574 ARG HA 592 ILE QD1 4.80 (#peak 2296 #SUP 0.94 #QF 0.62 )
&rst
ixpk= 2296, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 648, 649, 650,
&end
#
# 559 GLY H 578 GLU HA 3.74 (#peak 2299 #SUP 0.99 #QF 0.75 )
&rst
ixpk= 2299, nxpk= 0, iat= 123, 437, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 578 GLU HA 589 VAL HA 5.10 (#peak 2302 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 2302, nxpk= 0, iat= 437, 582, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 578 GLU HA 579 ALA QB 4.62 (#peak 2305 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 2305, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 449, 450, 451,
&end
#
# 577 VAL QG1 578 GLU HA 4.30 (#peak 2306 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 2306, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 421, 422, 423,
&end
#
# 556 TRP HB3 577 VAL QG2 4.49 (#peak 2311 #SUP 0.57 #QF 0.57 )
&rst
ixpk= 2311, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 424, 425, 426,
&end
#
# 562 CYS HA 575 ALA H 4.83 (#peak 2329 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 2329, nxpk= 0, iat= 160, 391, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 561 GLU HA 577 VAL HB 4.38 (#peak 2335 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 2335, nxpk= 0, iat= 148, 420, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 561 GLU HA 576 GLU QB 4.25 (#peak 2336 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 2336, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 407, 408,
&end
#
# 571 LYS HA 572 PHE H 2.93 (#peak 2342 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 2342, nxpk= 0, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 601 LEU HA 602 LEU H 2.99 (#peak 2343 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 2343, nxpk= 0, iat= 781, 799, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 572 PHE HA 572 PHE QD 3.52 (#peak 2346 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 2346, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 336, 337,
&end
#
# 572 PHE HA 573 TYR H 3.04 (#peak 2349 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 2349, nxpk= 0, iat= 333, 353, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 558 PRO HB3 579 ALA HA 3.88 (#peak 2354 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 2354, nxpk= 0, iat= 114, 448, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 580 LEU HA 587 ALA HA 3.21 (#peak 2357 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2357, nxpk= 0, iat= 461, 554, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 581 HIS H 587 ALA HA 4.08 (#peak 2360 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 2360, nxpk= 0, iat= 481, 554, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 587 ALA HA 588 VAL H 3.04 (#peak 2361 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 2361, nxpk= 0, iat= 554, 565, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 590 LYS HD2 595 GLY HA2 5.00 (#peak 2371 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 2371, nxpk= 0, iat= 605, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 590 LYS HG2 595 GLY HA2 4.78 (#peak 2372 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 2372, nxpk= 0, iat= 603, 689, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 590 LYS HG3 595 GLY HA2 5.26 (#peak 2373 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 2373, nxpk= 0, iat= 604, 689, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 590 LYS HG3 595 GLY HA3 5.07 (#peak 2376 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 2376, nxpk= 0, iat= 604, 690, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 591 PHE QB 595 GLY HA3 5.50 (#peak 2382 #SUP 0.20 #QF 0.20 )
&rst
ixpk= 2382, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 625, 626,
&end
#
# 589 VAL QG1 599 GLU HA 5.50 (#peak 2384 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 2384, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 584, 585, 586,
&end
#
# 556 TRP HE1 602 LEU HA 5.23 (#peak 2395 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 2395, nxpk= 0, iat= 78, 800, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 565 LEU HB3 604 ASN HA 4.23 (#peak 2399 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 2399, nxpk= 0, iat= 205, 830, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 565 LEU H 604 ASN HA 4.84 (#peak 2400 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 2400, nxpk= 0, iat= 202, 830, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 604 ASN HA 605 ILE H 3.51 (#peak 2401 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 2401, nxpk= 0, iat= 830, 843, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 563 PHE H 608 ILE HA 5.17 (#peak 2406 #SUP 0.48 #QF 0.48 )
&rst
ixpk= 2406, nxpk= 0, iat= 175, 899, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 556 TRP HH2 562 CYS HB3 4.43 (#peak 2419 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 2419, nxpk= 0, iat= 82, 162, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 556 TRP HZ2 562 CYS HB3 4.54 (#peak 2420 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2420, nxpk= 0, iat= 80, 162, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 558 PRO HB2 579 ALA QB 5.45 (#peak 2439 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 2439, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 449, 450, 451,
&end
#
# 558 PRO HB2 579 ALA H 5.38 (#peak 2441 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 2441, nxpk= 0, iat= 113, 447, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 563 PHE HB3 574 ARG HA 5.50 (#peak 2451 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 2451, nxpk= 0, iat= 178, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 563 PHE HB3 572 PHE H 5.50 (#peak 2453 #SUP 0.38 #QF 0.38 )
&rst
ixpk= 2453, nxpk= 0, iat= 178, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 590 LYS HE2 595 GLY HA2 5.31 (#peak 2458 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 2458, nxpk= 0, iat= 607, 689, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 564 ALA QB 605 ILE QD1 4.02 (#peak 2461 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 2461, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 191, 192, 193,
igr2= 851, 852, 853,
&end
#
# 564 ALA QB 589 VAL QG1 3.27 (#peak 2462 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 2462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 191, 192, 193,
igr2= 584, 585, 586,
&end
#
# 564 ALA QB 565 LEU H 3.11 (#peak 2470 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 2470, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 191, 192, 193,
&end
#
# 564 ALA QB 573 TYR H 4.49 (#peak 2471 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 2471, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 191, 192, 193,
&end
#
# 565 LEU HB2 572 PHE HA 5.46 (#peak 2472 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 2472, nxpk= 0, iat= 204, 333, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 569 ASP HB3 571 LYS H 5.50 (#peak 2495 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 2495, nxpk= 0, iat= 284, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 569 ASP HB3 570 ASN H 4.89 (#peak 2496 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 2496, nxpk= 0, iat= 284, 293, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 569 ASP HB2 571 LYS H 5.20 (#peak 2499 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 2499, nxpk= 0, iat= 283, 308, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 569 ASP HB2 570 ASN H 5.06 (#peak 2500 #SUP 0.42 #QF 0.42 )
&rst
ixpk= 2500, nxpk= 0, iat= 283, 293, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 565 LEU HG 570 ASN HB3 5.34 (#peak 2505 #SUP 0.40 #QF 0.40 )
&rst
ixpk= 2505, nxpk= 0, iat= 206, 296, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 569 ASP H 570 ASN HB3 5.50 (#peak 2507 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 2507, nxpk= 0, iat= 281, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 570 ASN HB3 571 LYS H 4.78 (#peak 2508 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 2508, nxpk= 0, iat= 296, 308, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 590 LYS HB3 597 TYR QE 5.50 (#peak 2515 #SUP 0.39 #QF 0.39 )
&rst
ixpk= 2515, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 723, 724,
&end
#
# 563 PHE HA 572 PHE HB2 5.50 (#peak 2521 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 2521, nxpk= 0, iat= 176, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 564 ALA QB 572 PHE HB3 5.38 (#peak 2531 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 2531, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 191, 192, 193,
&end
#
# 565 LEU HA 572 PHE HB3 5.04 (#peak 2532 #SUP 0.57 #QF 0.57 )
&rst
ixpk= 2532, nxpk= 0, iat= 203, 335, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 563 PHE HA 572 PHE HB3 4.95 (#peak 2534 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 2534, nxpk= 0, iat= 176, 335, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 564 ALA H 572 PHE HB3 5.16 (#peak 2535 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 2535, nxpk= 0, iat= 189, 335, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 573 TYR HB3 574 ARG QB 4.95 (#peak 2536 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 2536, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 375, 376,
&end
#
# 573 TYR HB3 594 TYR QE 5.00 (#peak 2539 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 2539, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 681, 682,
&end
#
# 576 GLU QB 578 GLU H 5.50 (#peak 2549 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 2549, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 407, 408,
&end
#
# 577 VAL QG1 578 GLU QB 4.81 (#peak 2551 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 2551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 421, 422, 423,
igr2= 438, 439,
&end
#
# 579 ALA QB 597 TYR QE 5.50 (#peak 2555 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 2555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 449, 450, 451,
igr2= 723, 724,
&end
#
# 579 ALA QB 597 TYR QD 5.05 (#peak 2556 #SUP 0.64 #QF 0.64 )
&rst
ixpk= 2556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 449, 450, 451,
igr2= 721, 722,
&end
#
# 586 THR HB 600 VAL H 4.27 (#peak 2560 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 2560, nxpk= 0, iat= 543, 763, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 590 LYS HB3 597 TYR HA 5.50 (#peak 2565 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 2565, nxpk= 0, iat= 602, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 590 LYS HB2 598 GLU H 5.49 (#peak 2566 #SUP 0.71 #QF 0.71 )
&rst
ixpk= 2566, nxpk= 0, iat= 601, 735, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 591 PHE QB 593 ASP H 5.40 (#peak 2567 #SUP 0.44 #QF 0.44 )
&rst
ixpk= 2567, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 625, 626,
&end
#
# 598 GLU QB 599 GLU QB 4.57 (#peak 2584 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 737, 738,
igr2= 752, 753,
&end
#
# 601 LEU QQD 603 SER HB2 4.78 (#peak 2595 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 2595, nxpk= 0, iat= 777, 818, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 601 LEU QQD 603 SER HB3 4.78 (#peak 2605 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 2605, nxpk= 0, iat= 777, 819, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 600 VAL HB 604 ASN HB2 5.50 (#peak 2609 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 2609, nxpk= 0, iat= 765, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 600 VAL HB 604 ASN HB3 5.50 (#peak 2611 #SUP 0.40 #QF 0.40 )
&rst
ixpk= 2611, nxpk= 0, iat= 765, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 589 VAL QG1 605 ILE HB 5.36 (#peak 2613 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2613, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 584, 585, 586,
&end
#
# 562 CYS HB2 605 ILE HB 5.17 (#peak 2614 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 2614, nxpk= 0, iat= 161, 845, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 556 TRP HZ2 605 ILE HB 4.94 (#peak 2615 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 2615, nxpk= 0, iat= 80, 845, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 604 ASN H 605 ILE HB 5.31 (#peak 2616 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 2616, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 565 LEU H 605 ILE HB 5.50 (#peak 2618 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 2618, nxpk= 0, iat= 202, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 563 PHE H 605 ILE HB 5.50 (#peak 2619 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 2619, nxpk= 0, iat= 175, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 556 TRP HE1 605 ILE HB 4.72 (#peak 2620 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 2620, nxpk= 0, iat= 78, 845, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 564 ALA QB 605 ILE HB 4.91 (#peak 2621 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 2621, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 191, 192, 193,
&end
#
# 556 TRP HZ2 607 PRO HB3 4.97 (#peak 2624 #SUP 0.61 #QF 0.61 )
&rst
ixpk= 2624, nxpk= 0, iat= 80, 885, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 608 ILE HA 609 LEU QB 5.02 (#peak 2631 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 2631, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 919, 920,
&end
#
# 566 TYR HA 567 TRP HB3 5.02 (#peak 2635 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 2635, nxpk= 0, iat= 226, 251, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 600 VAL HA 601 LEU HA 4.54 (#peak 2653 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 2653, nxpk= 0, iat= 764, 781, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 564 ALA HA 565 LEU HA 5.10 (#peak 2656 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2656, nxpk= 0, iat= 190, 203, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 563 PHE HB3 564 ALA HA 4.94 (#peak 2657 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 2657, nxpk= 0, iat= 178, 190, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 565 LEU HA 572 PHE H 4.92 (#peak 2658 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 2658, nxpk= 0, iat= 203, 332, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 565 LEU HA 571 LYS HA 5.49 (#peak 2660 #SUP 0.51 #QF 0.51 )
&rst
ixpk= 2660, nxpk= 0, iat= 203, 309, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 565 LEU HA 570 ASN HA 5.25 (#peak 2661 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 2661, nxpk= 0, iat= 203, 294, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 576 GLU QB 577 VAL HB 5.24 (#peak 2663 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 2663, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 407, 408,
&end
#
# 592 ILE HA 595 GLY H 5.16 (#peak 2667 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 2667, nxpk= 0, iat= 641, 688, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 591 PHE H 592 ILE HA 5.50 (#peak 2668 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 2668, nxpk= 0, iat= 623, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 592 ILE HA 595 GLY HA2 5.03 (#peak 2669 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 2669, nxpk= 0, iat= 641, 689, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 575 ALA H 592 ILE HG13 5.50 (#peak 2672 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 2672, nxpk= 0, iat= 391, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 592 ILE QG2 595 GLY HA2 5.50 (#peak 2673 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 2673, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 645, 646, 647,
&end
#
# 563 PHE H 608 ILE QD1 4.73 (#peak 2675 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 2675, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 906, 907, 908,
&end
#
# 575 ALA H 608 ILE QD1 4.83 (#peak 2676 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2676, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 906, 907, 908,
&end
#
# 562 CYS HB3 605 ILE QD1 5.50 (#peak 2678 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 2678, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 851, 852, 853,
&end
#
# 564 ALA HA 605 ILE QD1 4.95 (#peak 2679 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 2679, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 851, 852, 853,
&end
#
# 604 ASN H 605 ILE QD1 5.14 (#peak 2681 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 2681, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 851, 852, 853,
&end
#
# 562 CYS HB2 605 ILE QD1 5.50 (#peak 2682 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 2682, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 851, 852, 853,
&end
#
# 580 LEU HA 605 ILE QD1 5.17 (#peak 2683 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 2683, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 851, 852, 853,
&end
#
# 589 VAL HA 605 ILE QD1 5.50 (#peak 2684 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 2684, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 851, 852, 853,
&end
#
# 556 TRP HB3 605 ILE QD1 5.44 (#peak 2685 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 2685, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 851, 852, 853,
&end
#
# 608 ILE QG2 608 ILE QG1 3.11 (#peak 2686 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 2686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 903, 904, 905,
igr2= 901, 902,
&end
#
# 608 ILE QG1 609 LEU H 5.43 (#peak 2687 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 2687, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 901, 902,
&end
#
# 563 PHE QD 608 ILE QG1 5.49 (#peak 2690 #SUP 0.89 #QF 0.66 )
&rst
ixpk= 2690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 179, 180,
igr2= 901, 902,
&end
#
# 563 PHE QE 608 ILE QG1 5.50 (#peak 2690 #SUP 0.89 #QF 0.66 )
&rst
ixpk= 2690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 181, 182,
igr2= 901, 902,
&end
#
# 605 ILE HA 605 ILE QG1 4.18 (#peak 2691 #SUP 1.00 )
&rst
ixpk= 2691, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 846, 847,
&end
#
# 564 ALA HA 605 ILE QG1 5.22 (#peak 2693 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 2693, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 846, 847,
&end
#
# 604 ASN H 605 ILE QG1 5.31 (#peak 2694 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 2694, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 846, 847,
&end
#
# 605 ILE QG1 606 LYS H 5.04 (#peak 2695 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 2695, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 846, 847,
&end
#
# 556 TRP HE1 605 ILE QG1 4.80 (#peak 2696 #SUP 1.00 )
&rst
ixpk= 2696, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 846, 847,
&end
#
# 556 TRP HB3 589 VAL QG1 5.50 (#peak 2698 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 2698, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 584, 585, 586,
&end
#
# 578 GLU HA 589 VAL QG1 5.50 (#peak 2699 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 2699, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 584, 585, 586,
&end
#
# 564 ALA HA 589 VAL QG1 5.24 (#peak 2700 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 2700, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 584, 585, 586,
&end
#
# 575 ALA QB 589 VAL QG2 2.85 (#peak 2703 #SUP 0.50 #QF 0.50 )
&rst
ixpk= 2703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 393, 394, 395,
igr2= 587, 588, 589,
&end
#
# 556 TRP HA 557 LYS H 2.76 (#peak 21 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 21, nxpk= 0, iat= 74, 92, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 556 TRP HB3 557 LYS H 3.11 (#peak 25 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 25, nxpk= 0, iat= 76, 92, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 557 LYS H 577 VAL QG2 4.10 (#peak 31 #SUP 0.33 #QF 0.33 )
&rst
ixpk= 31, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 424, 425, 426,
&end
#
# 559 GLY H 560 ASP H 3.01 (#peak 33 #SUP 0.71 #QF 0.71 )
&rst
ixpk= 33, nxpk= 0, iat= 123, 134, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 560 ASP H 577 VAL H 3.78 (#peak 34 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 34, nxpk= 0, iat= 134, 418, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 560 ASP H 577 VAL HB 2.99 (#peak 44 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 44, nxpk= 0, iat= 134, 420, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 560 ASP H 576 GLU QB 4.71 (#peak 45 #SUP 0.46 #QF 0.46 )
&rst
ixpk= 45, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 407, 408,
&end
#
# 578 GLU H 590 LYS H 3.84 (#peak 49 #SUP 0.45 #QF 0.45 )
&rst
ixpk= 49, nxpk= 0, iat= 436, 599, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 589 VAL H 590 LYS H 4.38 (#peak 51 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 51, nxpk= 0, iat= 581, 599, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 561 GLU H 577 VAL H 4.63 (#peak 52 #SUP 0.27 #QF 0.27 )
&rst
ixpk= 52, nxpk= 0, iat= 147, 418, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 590 LYS H 598 GLU H 5.20 (#peak 53 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 53, nxpk= 0, iat= 599, 735, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 576 GLU H 590 LYS H 3.83 (#peak 55 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 55, nxpk= 0, iat= 405, 599, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 560 ASP H 561 GLU H 3.92 (#peak 56 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 56, nxpk= 0, iat= 134, 147, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 589 VAL HA 590 LYS H 2.87 (#peak 57 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 57, nxpk= 0, iat= 582, 599, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 560 ASP HA 561 GLU H 2.65 (#peak 58 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 58, nxpk= 0, iat= 135, 147, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 577 VAL HA 590 LYS H 3.96 (#peak 60 #SUP 0.47 #QF 0.47 )
&rst
ixpk= 60, nxpk= 0, iat= 419, 599, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 560 ASP QB 561 GLU H 3.93 (#peak 63 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 63, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 136, 137,
&end
#
# 561 GLU H 561 GLU QG 3.53 (#peak 64 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 64, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 151, 152,
&end
#
# 561 GLU H 561 GLU QB 2.95 (#peak 67 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 67, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 149, 150,
&end
#
# 561 GLU H 576 GLU QB 5.05 (#peak 68 #SUP 0.47 #QF 0.47 )
&rst
ixpk= 68, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 407, 408,
&end
#
# 576 GLU QB 590 LYS H 4.02 (#peak 69 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 69, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 407, 408,
&end
#
# 589 VAL HB 590 LYS H 3.34 (#peak 71 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 71, nxpk= 0, iat= 583, 599, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 590 LYS H 590 LYS HB2 3.78 (#peak 73 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 73, nxpk= 0, iat= 599, 601, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 590 LYS H 590 LYS HG2 4.37 (#peak 79 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 79, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 562 CYS H 575 ALA H 3.64 (#peak 84 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 84, nxpk= 0, iat= 159, 391, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 561 GLU HA 562 CYS H 2.82 (#peak 87 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 87, nxpk= 0, iat= 148, 159, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 561 GLU QG 562 CYS H 4.95 (#peak 92 #SUP 0.99 #QF 0.64 )
&rst
ixpk= 92, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 151, 152,
&end
#
# 561 GLU QB 562 CYS H 3.44 (#peak 94 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 94, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 149, 150,
&end
#
# 562 CYS H 592 ILE QD1 3.72 (#peak 95 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 95, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 648, 649, 650,
&end
#
# 563 PHE H 606 LYS H 3.96 (#peak 98 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 98, nxpk= 0, iat= 175, 863, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 556 TRP HZ2 563 PHE H 4.99 (#peak 100 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 100, nxpk= 0, iat= 80, 175, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 563 PHE H 563 PHE QD 4.06 (#peak 101 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 101, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 179, 180,
&end
#
# 562 CYS HA 563 PHE H 2.99 (#peak 104 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 104, nxpk= 0, iat= 160, 175, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 562 CYS HB2 563 PHE H 3.60 (#peak 105 #SUP 0.98 #QF 0.96 )
&rst
ixpk= 105, nxpk= 0, iat= 161, 175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 563 PHE H 563 PHE HB3 4.05 (#peak 105 #SUP 0.98 #QF 0.96 )
&rst
ixpk= 105, nxpk= 0, iat= 175, 178, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 562 CYS HB3 563 PHE H 3.60 (#peak 106 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 106, nxpk= 0, iat= 162, 175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 563 PHE H 605 ILE QG2 4.13 (#peak 110 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 110, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 848, 849, 850,
&end
#
# 564 ALA H 573 TYR H 3.64 (#peak 112 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 112, nxpk= 0, iat= 189, 353, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 564 ALA H 573 TYR QD 5.25 (#peak 114 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 114, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 357, 358,
&end
#
# 563 PHE QD 564 ALA H 3.97 (#peak 116 #SUP 0.47 #QF 0.47 )
&rst
ixpk= 116, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 179, 180,
&end
#
# 563 PHE HA 564 ALA H 2.91 (#peak 119 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 119, nxpk= 0, iat= 176, 189, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 564 ALA H 574 ARG HA 4.32 (#peak 121 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 121, nxpk= 0, iat= 189, 374, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 563 PHE HB3 564 ALA H 3.80 (#peak 122 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 122, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 564 ALA H 575 ALA QB 4.06 (#peak 124 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 124, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 393, 394, 395,
&end
#
# 564 ALA H 589 VAL QG2 5.16 (#peak 125 #SUP 0.95 #QF 0.50 )
&rst
ixpk= 125, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 587, 588, 589,
&end
#
# 564 ALA H 605 ILE QG2 5.33 (#peak 125 #SUP 0.95 #QF 0.50 )
&rst
ixpk= 125, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 848, 849, 850,
&end
#
# 565 LEU H 606 LYS H 4.28 (#peak 126 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 126, nxpk= 0, iat= 202, 863, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 565 LEU H 572 PHE QD 3.74 (#peak 128 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 128, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 336, 337,
&end
#
# 564 ALA HA 565 LEU H 2.82 (#peak 129 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 129, nxpk= 0, iat= 190, 202, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 565 LEU H 605 ILE HA 3.68 (#peak 130 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 130, nxpk= 0, iat= 202, 844, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 565 LEU H 604 ASN HB3 4.48 (#peak 132 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 132, nxpk= 0, iat= 202, 832, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 565 LEU H 565 LEU HB2 3.08 (#peak 133 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 133, nxpk= 0, iat= 202, 204, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 565 LEU H 565 LEU HB3 3.11 (#peak 135 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 135, nxpk= 0, iat= 202, 205, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 565 LEU H 605 ILE QG2 4.22 (#peak 136 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 136, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 848, 849, 850,
&end
#
# 565 LEU H 565 LEU QD1 4.77 (#peak 137 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 137, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 207, 208, 209,
&end
#
# 566 TYR H 566 TYR HB3 4.02 (#peak 141 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 141, nxpk= 0, iat= 225, 228, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 566 TYR HA 567 TRP H 3.19 (#peak 147 #SUP 0.56 #QF 0.56 )
&rst
ixpk= 147, nxpk= 0, iat= 226, 248, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 567 TRP H 568 GLU H 4.12 (#peak 149 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 149, nxpk= 0, iat= 248, 267, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 567 TRP H 567 TRP HB2 3.86 (#peak 150 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 150, nxpk= 0, iat= 248, 250, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 567 TRP H 567 TRP HB3 3.45 (#peak 151 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 151, nxpk= 0, iat= 248, 251, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 569 ASP H 570 ASN H 2.90 (#peak 153 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 153, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 569 ASP H 571 LYS H 3.83 (#peak 155 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 155, nxpk= 0, iat= 281, 308, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 568 GLU QG 569 ASP H 3.59 (#peak 171 #SUP 0.99 #QF 0.80 )
&rst
ixpk= 171, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 271, 272,
&end
#
# 569 ASP H 569 ASP HB2 4.00 (#peak 175 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 175, nxpk= 0, iat= 281, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 568 GLU HB2 569 ASP H 3.98 (#peak 176 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 176, nxpk= 0, iat= 269, 281, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 568 GLU HB3 569 ASP H 4.04 (#peak 177 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 177, nxpk= 0, iat= 270, 281, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 570 ASN H 571 LYS H 3.28 (#peak 180 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 180, nxpk= 0, iat= 293, 308, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 570 ASN H 573 TYR QE 4.77 (#peak 182 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 182, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 359, 360,
&end
#
# 570 ASN H 570 ASN HB3 3.91 (#peak 186 #SUP 1.00 )
&rst
ixpk= 186, nxpk= 0, iat= 293, 296, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 568 GLU QG 570 ASN H 4.92 (#peak 187 #SUP 0.99 #QF 0.84 )
&rst
ixpk= 187, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 271, 272,
&end
#
# 568 GLU HA 570 ASN H 5.09 (#peak 188 #SUP 0.97 #QF 0.88 )
&rst
ixpk= 188, nxpk= 0, iat= 268, 293, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 570 ASN H 570 ASN HB2 3.78 (#peak 189 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 189, nxpk= 0, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 566 TYR H 571 LYS H 4.12 (#peak 192 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 192, nxpk= 0, iat= 225, 308, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 571 LYS H 573 TYR QE 3.70 (#peak 195 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 195, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 359, 360,
&end
#
# 566 TYR HB2 571 LYS H 4.56 (#peak 199 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 199, nxpk= 0, iat= 227, 308, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 566 TYR HB3 571 LYS H 4.56 (#peak 200 #SUP 0.99 #QF 0.89 )
&rst
ixpk= 200, nxpk= 0, iat= 228, 308, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 573 TYR H 573 TYR QD 4.16 (#peak 209 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 209, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 357, 358,
&end
#
# 563 PHE QD 573 TYR H 4.58 (#peak 210 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 210, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 179, 180,
&end
#
# 573 TYR H 573 TYR HB2 4.08 (#peak 214 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 214, nxpk= 0, iat= 353, 355, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 572 PHE HB2 573 TYR H 4.34 (#peak 215 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 215, nxpk= 0, iat= 334, 353, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 572 PHE HB3 573 TYR H 4.19 (#peak 216 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 216, nxpk= 0, iat= 335, 353, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 587 ALA H 602 LEU H 5.01 (#peak 220 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 220, nxpk= 0, iat= 553, 799, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 573 TYR QD 574 ARG H 4.24 (#peak 222 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 222, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 357, 358,
&end
#
# 586 THR H 587 ALA H 5.14 (#peak 223 #SUP 0.93 #QF 0.83 )
&rst
ixpk= 223, nxpk= 0, iat= 541, 553, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 563 PHE QD 574 ARG H 5.21 (#peak 225 #SUP 0.89 #QF 0.74 )
&rst
ixpk= 225, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 179, 180,
&end
#
# 563 PHE QE 574 ARG H 5.40 (#peak 225 #SUP 0.89 #QF 0.74 )
&rst
ixpk= 225, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 181, 182,
&end
#
# 587 ALA H 601 LEU HA 4.34 (#peak 229 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 229, nxpk= 0, iat= 553, 781, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 573 TYR HB3 574 ARG H 3.32 (#peak 233 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 233, nxpk= 0, iat= 356, 373, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 573 TYR HB2 574 ARG H 4.09 (#peak 234 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 234, nxpk= 0, iat= 355, 373, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 563 PHE HA 575 ALA H 3.97 (#peak 243 #SUP 0.97 #QF 0.53 )
&rst
ixpk= 243, nxpk= 0, iat= 176, 391, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 575 ALA H 575 ALA QB 3.85 (#peak 249 #SUP 0.95 #QF 0.76 )
&rst
ixpk= 249, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 393, 394, 395,
&end
#
# 575 ALA H 592 ILE QD1 4.22 (#peak 249 #SUP 0.95 #QF 0.76 )
&rst
ixpk= 249, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 648, 649, 650,
&end
#
# 576 GLU H 592 ILE H 4.34 (#peak 252 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 252, nxpk= 0, iat= 405, 640, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 572 PHE H 573 TYR QE 5.15 (#peak 253 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 253, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 359, 360,
&end
#
# 575 ALA HA 576 GLU H 3.08 (#peak 255 #SUP 0.88 #QF 0.59 )
&rst
ixpk= 255, nxpk= 0, iat= 392, 405, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 572 PHE H 572 PHE HB2 3.29 (#peak 257 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 257, nxpk= 0, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 572 PHE H 572 PHE HB3 3.69 (#peak 258 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 258, nxpk= 0, iat= 332, 335, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 571 LYS QD 572 PHE H 4.26 (#peak 259 #SUP 0.94 #QF 0.68 )
&rst
ixpk= 259, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 314, 315,
&end
#
# 576 GLU H 576 GLU QB 3.23 (#peak 260 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 260, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 407, 408,
&end
#
# 571 LYS HB3 572 PHE H 3.50 (#peak 261 #SUP 0.82 #QF 0.57 )
&rst
ixpk= 261, nxpk= 0, iat= 311, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 576 GLU H 592 ILE HG13 3.94 (#peak 261 #SUP 0.82 #QF 0.57 )
&rst
ixpk= 261, nxpk= 0, iat= 405, 644, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 576 GLU H 592 ILE HG12 3.83 (#peak 262 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 262, nxpk= 0, iat= 405, 643, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 575 ALA QB 576 GLU H 3.49 (#peak 263 #SUP 0.87 #QF 0.59 )
&rst
ixpk= 263, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 393, 394, 395,
&end
#
# 576 GLU H 592 ILE QD1 3.70 (#peak 263 #SUP 0.87 #QF 0.59 )
&rst
ixpk= 263, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 648, 649, 650,
&end
#
# 577 VAL H 578 GLU H 4.78 (#peak 264 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 264, nxpk= 0, iat= 418, 436, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 562 CYS H 577 VAL H 4.24 (#peak 266 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 266, nxpk= 0, iat= 159, 418, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 576 GLU H 577 VAL H 4.45 (#peak 267 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 267, nxpk= 0, iat= 405, 418, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 576 GLU HA 577 VAL H 2.89 (#peak 271 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 271, nxpk= 0, iat= 406, 418, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 559 GLY HA2 577 VAL H 5.43 (#peak 275 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 275, nxpk= 0, iat= 124, 418, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 577 VAL H 577 VAL HB 3.22 (#peak 277 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 277, nxpk= 0, iat= 418, 420, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 561 GLU QB 577 VAL H 4.70 (#peak 278 #SUP 0.85 #QF 0.31 )
&rst
ixpk= 278, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 149, 150,
&end
#
# 578 GLU H 578 GLU QG 4.41 (#peak 289 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 289, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 440, 441,
&end
#
# 578 GLU H 588 VAL HB 3.89 (#peak 291 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 291, nxpk= 0, iat= 436, 567, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 578 GLU H 579 ALA H 3.08 (#peak 293 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 293, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 579 ALA H 588 VAL H 3.53 (#peak 295 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 295, nxpk= 0, iat= 447, 565, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 579 ALA H 589 VAL HA 4.18 (#peak 299 #SUP 0.80 #QF 0.80 )
&rst
ixpk= 299, nxpk= 0, iat= 447, 582, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 579 ALA H 588 VAL HB 2.92 (#peak 303 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 303, nxpk= 0, iat= 447, 567, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 579 ALA H 588 VAL QG1 4.32 (#peak 305 #SUP 0.99 #QF 0.39 )
&rst
ixpk= 305, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 568, 569, 570,
&end
#
# 579 ALA H 588 VAL QG2 4.51 (#peak 305 #SUP 0.99 #QF 0.39 )
&rst
ixpk= 305, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 571, 572, 573,
&end
#
# 557 LYS HA 580 LEU H 4.19 (#peak 311 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 311, nxpk= 0, iat= 93, 460, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 580 LEU H 580 LEU QB 3.49 (#peak 314 #SUP 0.88 #QF 0.52 )
&rst
ixpk= 314, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 462, 463,
&end
#
# 580 LEU H 580 LEU HG 3.68 (#peak 314 #SUP 0.88 #QF 0.52 )
&rst
ixpk= 314, nxpk= 0, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 580 LEU H 580 LEU QD1 4.63 (#peak 317 #SUP 0.91 #QF 0.62 )
&rst
ixpk= 317, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 465, 466, 467,
&end
#
# 580 LEU H 580 LEU QD2 4.63 (#peak 318 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 318, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 468, 469, 470,
&end
#
# 580 LEU HA 581 HIS H 2.82 (#peak 329 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 329, nxpk= 0, iat= 461, 481, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 580 LEU QB 581 HIS H 3.90 (#peak 334 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 334, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 462, 463,
&end
#
# 602 LEU H 603 SER H 3.86 (#peak 337 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 337, nxpk= 0, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 603 SER H 605 ILE H 4.51 (#peak 340 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 340, nxpk= 0, iat= 816, 843, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 601 LEU HG 603 SER H 3.54 (#peak 345 #SUP 0.87 #QF 0.33 )
&rst
ixpk= 345, nxpk= 0, iat= 784, 816, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 602 LEU QB 603 SER H 3.43 (#peak 345 #SUP 0.87 #QF 0.33 )
&rst
ixpk= 345, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 801, 802,
&end
#
# 602 LEU HG 603 SER H 4.48 (#peak 347 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 347, nxpk= 0, iat= 803, 816, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 601 LEU QQD 603 SER H 3.98 (#peak 348 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 348, nxpk= 0, iat= 777, 816, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 585 MET H 585 MET QB 3.92 (#peak 361 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 361, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 527, 528,
&end
#
# 585 MET H 586 THR H 3.83 (#peak 363 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 363, nxpk= 0, iat= 525, 541, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 585 MET QB 586 THR H 4.23 (#peak 368 #SUP 0.96 #QF 0.91 )
&rst
ixpk= 368, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 527, 528,
&end
#
# 585 MET QE 586 THR H 4.78 (#peak 368 #SUP 0.96 #QF 0.91 )
&rst
ixpk= 368, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 531, 532, 533,
&end
#
# 578 GLU H 588 VAL H 4.78 (#peak 371 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 371, nxpk= 0, iat= 436, 565, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 587 ALA H 588 VAL H 4.92 (#peak 373 #SUP 0.87 #QF 0.53 )
&rst
ixpk= 373, nxpk= 0, iat= 553, 565, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 588 VAL H 589 VAL H 5.29 (#peak 373 #SUP 0.87 #QF 0.53 )
&rst
ixpk= 373, nxpk= 0, iat= 565, 581, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 581 HIS H 588 VAL H 4.55 (#peak 374 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 374, nxpk= 0, iat= 481, 565, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 596 ASN HA 597 TYR H 2.95 (#peak 377 #SUP 0.90 #QF 0.74 )
&rst
ixpk= 377, nxpk= 0, iat= 700, 717, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 597 TYR H 597 TYR HB2 4.06 (#peak 378 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 378, nxpk= 0, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 588 VAL H 588 VAL HB 3.38 (#peak 380 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 380, nxpk= 0, iat= 565, 567, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 577 VAL QG1 588 VAL H 4.87 (#peak 383 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 383, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 421, 422, 423,
&end
#
# 589 VAL H 598 GLU H 3.69 (#peak 386 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 386, nxpk= 0, iat= 581, 735, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 589 VAL H 597 TYR HA 4.49 (#peak 389 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 389, nxpk= 0, iat= 581, 718, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 588 VAL HA 589 VAL H 2.79 (#peak 393 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 393, nxpk= 0, iat= 566, 581, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 589 VAL H 590 LYS HA 4.86 (#peak 396 #SUP 0.49 #QF 0.49 )
&rst
ixpk= 396, nxpk= 0, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 578 GLU QB 589 VAL H 4.93 (#peak 398 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 398, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 438, 439,
&end
#
# 589 VAL H 600 VAL QQG 4.57 (#peak 400 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 400, nxpk= 0, iat= 581, 760, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, &end
#
# 589 VAL H 589 VAL QG2 3.03 (#peak 404 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 404, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 587, 588, 589,
&end
#
# 591 PHE H 591 PHE QD 3.81 (#peak 408 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 408, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 627, 628,
&end
#
# 591 PHE H 597 TYR HA 3.73 (#peak 409 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 409, nxpk= 0, iat= 623, 718, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 590 LYS HA 591 PHE H 2.95 (#peak 410 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 410, nxpk= 0, iat= 600, 623, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 591 PHE H 591 PHE QB 3.07 (#peak 412 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 412, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 625, 626,
&end
#
# 590 LYS HG2 591 PHE H 4.32 (#peak 413 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 413, nxpk= 0, iat= 603, 623, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 590 LYS HG3 591 PHE H 4.01 (#peak 414 #SUP 0.46 #QF 0.46 )
&rst
ixpk= 414, nxpk= 0, iat= 604, 623, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 556 TRP H 556 TRP HD1 4.16 (#peak 418 #SUP 0.38 #QF 0.38 )
&rst
ixpk= 418, nxpk= 0, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 591 PHE HA 592 ILE H 2.78 (#peak 423 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 423, nxpk= 0, iat= 624, 640, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 556 TRP H 556 TRP HB2 3.16 (#peak 424 #SUP 0.37 #QF 0.37 )
&rst
ixpk= 424, nxpk= 0, iat= 73, 75, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 592 ILE HB 593 ASP H 4.04 (#peak 438 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 438, nxpk= 0, iat= 642, 659, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 591 PHE QB 595 GLY H 4.39 (#peak 448 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 448, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 625, 626,
&end
#
# 595 GLY H 596 ASN H 3.47 (#peak 455 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 455, nxpk= 0, iat= 688, 699, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 591 PHE QD 596 ASN H 4.58 (#peak 456 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 456, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 627, 628,
&end
#
# 591 PHE QB 596 ASN H 3.40 (#peak 461 #SUP 0.58 #QF 0.58 )
&rst
ixpk= 461, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 625, 626,
&end
#
# 597 TYR H 598 GLU H 4.57 (#peak 466 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 466, nxpk= 0, iat= 717, 735, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 588 VAL HA 598 GLU H 4.50 (#peak 469 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 469, nxpk= 0, iat= 566, 735, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 590 LYS HA 598 GLU H 4.18 (#peak 470 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 470, nxpk= 0, iat= 600, 735, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 597 TYR HB2 598 GLU H 4.22 (#peak 471 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 471, nxpk= 0, iat= 719, 735, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 598 GLU H 598 GLU QG 4.22 (#peak 473 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 473, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 739, 740,
&end
#
# 598 GLU HA 599 GLU H 2.81 (#peak 479 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 479, nxpk= 0, iat= 736, 750, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 598 GLU QB 599 GLU H 3.39 (#peak 480 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 480, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 737, 738,
&end
#
# 599 GLU H 599 GLU QB 2.88 (#peak 481 #SUP 0.70 #QF 0.70 )
&rst
ixpk= 481, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 752, 753,
&end
#
# 588 VAL QG1 599 GLU H 4.37 (#peak 482 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 482, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 568, 569, 570,
&end
#
# 599 GLU QB 600 VAL H 3.33 (#peak 489 #SUP 0.65 #QF 0.65 )
&rst
ixpk= 489, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 752, 753,
&end
#
# 600 VAL H 601 LEU H 4.34 (#peak 493 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 493, nxpk= 0, iat= 763, 780, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 601 LEU H 602 LEU H 4.77 (#peak 494 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 494, nxpk= 0, iat= 780, 799, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 601 LEU H 604 ASN HB2 4.73 (#peak 498 #SUP 0.38 #QF 0.38 )
&rst
ixpk= 498, nxpk= 0, iat= 780, 831, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 601 LEU H 604 ASN HB3 4.73 (#peak 500 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 500, nxpk= 0, iat= 780, 832, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 600 VAL HB 601 LEU H 4.26 (#peak 501 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 501, nxpk= 0, iat= 765, 780, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 601 LEU H 601 LEU QB 2.89 (#peak 502 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 502, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 782, 783,
&end
#
# 600 VAL QQG 601 LEU H 3.73 (#peak 504 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 504, nxpk= 0, iat= 760, 780, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 601 LEU H 601 LEU QQD 3.69 (#peak 505 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 505, nxpk= 0, iat= 780, 777, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 602 LEU H 604 ASN H 4.43 (#peak 506 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 506, nxpk= 0, iat= 799, 829, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 602 LEU H 602 LEU QB 3.06 (#peak 513 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 513, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 801, 802,
&end
#
# 602 LEU H 602 LEU HG 3.47 (#peak 514 #SUP 0.64 #QF 0.64 )
&rst
ixpk= 514, nxpk= 0, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 601 LEU QQD 602 LEU H 3.47 (#peak 515 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 515, nxpk= 0, iat= 777, 799, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 601 LEU H 604 ASN H 5.29 (#peak 517 #SUP 0.78 #QF 0.78 )
&rst
ixpk= 517, nxpk= 0, iat= 780, 829, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 603 SER H 604 ASN H 3.46 (#peak 519 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 519, nxpk= 0, iat= 816, 829, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 604 ASN H 605 ILE H 3.12 (#peak 521 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 521, nxpk= 0, iat= 829, 843, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 602 LEU HA 604 ASN H 4.10 (#peak 527 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 527, nxpk= 0, iat= 800, 829, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 604 ASN H 604 ASN HB2 3.63 (#peak 529 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 529, nxpk= 0, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 604 ASN H 604 ASN HB3 3.63 (#peak 530 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 530, nxpk= 0, iat= 829, 832, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 601 LEU QB 604 ASN H 3.31 (#peak 531 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 531, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 782, 783,
&end
#
# 601 LEU QQD 604 ASN H 4.11 (#peak 536 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 536, nxpk= 0, iat= 777, 829, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 605 ILE H 606 LYS H 4.51 (#peak 538 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 538, nxpk= 0, iat= 843, 863, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 603 SER HA 605 ILE H 4.34 (#peak 544 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 544, nxpk= 0, iat= 817, 843, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 602 LEU HA 605 ILE H 4.45 (#peak 545 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 545, nxpk= 0, iat= 800, 843, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 604 ASN HB3 605 ILE H 4.09 (#peak 546 #SUP 0.50 #QF 0.50 )
&rst
ixpk= 546, nxpk= 0, iat= 832, 843, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 601 LEU QB 605 ILE H 5.11 (#peak 547 #SUP 0.98 #QF 0.95 )
&rst
ixpk= 547, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 782, 783,
&end
#
# 602 LEU QB 605 ILE H 5.50 (#peak 547 #SUP 0.98 #QF 0.95 )
&rst
ixpk= 547, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 801, 802,
&end
#
# 605 ILE H 605 ILE QD1 3.87 (#peak 552 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 552, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 851, 852, 853,
&end
#
# 564 ALA HA 606 LYS H 4.02 (#peak 560 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 560, nxpk= 0, iat= 190, 863, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 605 ILE HA 606 LYS H 2.99 (#peak 561 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 561, nxpk= 0, iat= 844, 863, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 563 PHE HB3 606 LYS H 4.41 (#peak 563 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 563, nxpk= 0, iat= 178, 863, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 565 LEU HB2 606 LYS H 5.10 (#peak 567 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 567, nxpk= 0, iat= 204, 863, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 564 ALA QB 606 LYS H 4.65 (#peak 570 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 570, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 191, 192, 193,
&end
#
# 563 PHE H 608 ILE H 4.73 (#peak 573 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 573, nxpk= 0, iat= 175, 898, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 556 TRP HH2 608 ILE H 4.86 (#peak 576 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 576, nxpk= 0, iat= 82, 898, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 607 PRO HA 608 ILE H 2.75 (#peak 577 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 577, nxpk= 0, iat= 883, 898, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 607 PRO HB2 608 ILE H 3.46 (#peak 579 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 579, nxpk= 0, iat= 884, 898, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 608 ILE H 608 ILE HB 3.04 (#peak 580 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 580, nxpk= 0, iat= 898, 900, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 608 ILE H 608 ILE QG1 3.66 (#peak 582 #SUP 0.73 #QF 0.73 )
&rst
ixpk= 582, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 901, 902,
&end
#
# 608 ILE H 608 ILE QD1 4.48 (#peak 584 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 584, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 906, 907, 908,
&end
#
# 566 TYR QD 567 TRP HE1 4.44 (#peak 588 )
&rst
ixpk= 588, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 229, 230,
&end
#
# 556 TRP HB2 556 TRP HE1 4.80 (#peak 597 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 597, nxpk= 0, iat= 75, 78, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 556 TRP HE1 602 LEU QB 4.23 (#peak 598 #SUP 0.88 #QF 0.88 )
&rst
ixpk= 598, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 801, 802,
&end
#
# 556 TRP HE1 605 ILE QG2 3.67 (#peak 601 #SUP 0.77 #QF 0.77 )
&rst
ixpk= 601, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 848, 849, 850,
&end
#
# 556 TRP HE1 605 ILE QD1 3.64 (#peak 602 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 602, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 851, 852, 853,
&end
#
# 608 ILE H 609 LEU H 4.27 (#peak 603 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 603, nxpk= 0, iat= 898, 917, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 607 PRO HB3 609 LEU H 4.52 (#peak 607 #SUP 0.62 #QF 0.62 )
&rst
ixpk= 607, nxpk= 0, iat= 885, 917, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 608 ILE HB 609 LEU H 4.00 (#peak 609 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 609, nxpk= 0, iat= 900, 917, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 609 LEU H 609 LEU QB 3.28 (#peak 610 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 610, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 919, 920,
&end
#
# 558 PRO HB3 559 GLY H 4.50 (#peak 624 #SUP 0.81 #QF 0.81 )
&rst
ixpk= 624, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 599 GLU H 599 GLU QG 4.47 (#peak 629 #SUP 0.87 #QF 0.87 )
&rst
ixpk= 629, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 754, 755,
&end
#
# 556 TRP H 557 LYS H 4.63 (#peak 637 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 637, nxpk= 0, iat= 73, 92, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 556 TRP HB2 557 LYS H 4.17 (#peak 638 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 638, nxpk= 0, iat= 75, 92, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 559 GLY H 580 LEU HG 5.21 (#peak 641 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 641, nxpk= 0, iat= 123, 464, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 561 GLU H 577 VAL HB 4.80 (#peak 644 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 644, nxpk= 0, iat= 147, 420, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 562 CYS H 577 VAL HB 5.03 (#peak 645 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 645, nxpk= 0, iat= 159, 420, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 565 LEU HB2 566 TYR H 4.73 (#peak 649 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 649, nxpk= 0, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 566 TYR H 567 TRP H 4.61 (#peak 650 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 650, nxpk= 0, iat= 225, 248, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 561 GLU HA 576 GLU H 4.55 (#peak 657 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 657, nxpk= 0, iat= 148, 405, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 587 ALA H 600 VAL H 3.10 (#peak 658 #SUP 0.52 #QF 0.52 )
&rst
ixpk= 658, nxpk= 0, iat= 553, 763, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 556 TRP H 556 TRP HB3 3.77 (#peak 663 #SUP 0.97 #QF 0.57 )
&rst
ixpk= 663, nxpk= 0, iat= 73, 76, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 591 PHE QB 592 ILE H 3.94 (#peak 663 #SUP 0.97 #QF 0.57 )
&rst
ixpk= 663, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 625, 626,
&end
#
# 580 LEU HA 588 VAL H 3.41 (#peak 665 #SUP 0.33 #QF 0.33 )
&rst
ixpk= 665, nxpk= 0, iat= 461, 565, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 588 VAL HA 599 GLU H 4.69 (#peak 667 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 667, nxpk= 0, iat= 566, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 600 VAL QQG 605 ILE H 4.06 (#peak 670 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 670, nxpk= 0, iat= 760, 843, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 568 GLU H 568 GLU HB2 3.34 (#peak 678 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 678, nxpk= 0, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 568 GLU H 568 GLU HB3 3.21 (#peak 679 #SUP 0.49 #QF 0.49 )
&rst
ixpk= 679, nxpk= 0, iat= 267, 270, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 568 GLU H 569 ASP H 3.65 (#peak 683 )
&rst
ixpk= 683, nxpk= 0, iat= 267, 281, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 556 TRP HA 556 TRP HD1 4.57 (#peak 20 #SUP 0.68 #QF 0.68 )
&rst
ixpk= 20, nxpk= 0, iat= 74, 77, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 556 TRP HD1 602 LEU QB 3.80 (#peak 25 #SUP 0.70 #QF 0.23 )
&rst
ixpk= 25, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 801, 802,
&end
#
# 556 TRP HD1 605 ILE HB 4.03 (#peak 26 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 26, nxpk= 0, iat= 77, 845, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 556 TRP HD1 605 ILE QD1 4.06 (#peak 28 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 28, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 851, 852, 853,
&end
#
# 556 TRP HD1 604 ASN H 5.50 (#peak 34 #SUP 0.74 #QF 0.74 )
&rst
ixpk= 34, nxpk= 0, iat= 77, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 556 TRP HZ2 607 PRO HA 3.89 (#peak 49 #SUP 0.86 #QF 0.86 )
&rst
ixpk= 49, nxpk= 0, iat= 80, 883, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 556 TRP HH2 607 PRO HA 2.98 (#peak 66 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 66, nxpk= 0, iat= 82, 883, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 556 TRP HH2 560 ASP QB 4.86 (#peak 70 #SUP 0.55 #QF 0.55 )
&rst
ixpk= 70, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 136, 137,
&end
#
# 556 TRP HH2 562 CYS HB2 4.43 (#peak 71 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 71, nxpk= 0, iat= 82, 161, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 567 TRP HB3 567 TRP HD1 3.31 (#peak 78 #SUP 0.42 #QF 0.42 )
&rst
ixpk= 78, nxpk= 0, iat= 251, 252, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 567 TRP H 567 TRP HD1 3.04 (#peak 79 #SUP 0.32 #QF 0.32 )
&rst
ixpk= 79, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 567 TRP HA 567 TRP HD1 4.59 (#peak 90 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 90, nxpk= 0, iat= 249, 252, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 567 TRP HB2 567 TRP HD1 3.88 (#peak 91 #SUP 0.51 #QF 0.51 )
&rst
ixpk= 91, nxpk= 0, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 567 TRP HD1 568 GLU HB3 5.50 (#peak 97 #SUP 0.56 #QF 0.56 )
&rst
ixpk= 97, nxpk= 0, iat= 252, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 566 TYR QD 567 TRP H 3.51 (#peak 98 )
&rst
ixpk= 98, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 229, 230,
&end
#
# 566 TYR HA 566 TYR QD 3.11 (#peak 101 )
&rst
ixpk= 101, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 229, 230,
&end
#
# 566 TYR QD 568 GLU H 4.34 (#peak 102 )
&rst
ixpk= 102, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 229, 230,
&end
#
# 566 TYR QD 568 GLU QG 3.71 (#peak 104 )
&rst
ixpk= 104, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 229, 230,
igr2= 271, 272,
&end
#
# 566 TYR QD 567 TRP HD1 3.55 (#peak 114 #SUP 0.93 #QF 0.80 )
&rst
ixpk= 114, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 229, 230,
&end
#
# 566 TYR H 566 TYR QD 4.13 (#peak 115 )
&rst
ixpk= 115, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 229, 230,
&end
#
# 597 TYR HA 597 TYR QD 3.76 (#peak 117 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 117, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 721, 722,
&end
#
# 596 ASN HA 597 TYR QD 3.66 (#peak 119 #SUP 0.72 #QF 0.72 )
&rst
ixpk= 119, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 721, 722,
&end
#
# 588 VAL HB 597 TYR QD 4.14 (#peak 124 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 124, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 721, 722,
&end
#
# 590 LYS HB3 597 TYR QD 4.02 (#peak 125 #SUP 0.60 #QF 0.60 )
&rst
ixpk= 125, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 721, 722,
&end
#
# 590 LYS HD3 597 TYR QD 4.13 (#peak 126 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 126, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 721, 722,
&end
#
# 590 LYS HB2 597 TYR QD 3.80 (#peak 127 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 127, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 721, 722,
&end
#
# 588 VAL QG1 597 TYR QD 3.07 (#peak 128 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 568, 569, 570,
igr2= 721, 722,
&end
#
# 590 LYS HG3 597 TYR QD 4.85 (#peak 130 #SUP 0.53 #QF 0.53 )
&rst
ixpk= 130, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 721, 722,
&end
#
# 597 TYR H 597 TYR QD 3.30 (#peak 131 #SUP 0.59 #QF 0.59 )
&rst
ixpk= 131, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 721, 722,
&end
#
# 597 TYR HA 597 TYR QE 5.50 (#peak 134 #SUP 0.46 #QF 0.46 )
&rst
ixpk= 134, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 723, 724,
&end
#
# 596 ASN QB 597 TYR QE 4.77 (#peak 140 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 140, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 701, 702,
igr2= 723, 724,
&end
#
# 590 LYS HD2 597 TYR QE 3.32 (#peak 142 #SUP 0.40 #QF 0.40 )
&rst
ixpk= 142, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 723, 724,
&end
#
# 588 VAL QG1 597 TYR QE 3.70 (#peak 144 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 568, 569, 570,
igr2= 723, 724,
&end
#
# 597 TYR H 597 TYR QE 3.83 (#peak 147 #SUP 0.89 #QF 0.89 )
&rst
ixpk= 147, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 723, 724,
&end
#
# 566 TYR QD 573 TYR QD 4.10 (#peak 150 #SUP 0.67 #QF 0.67 )
&rst
ixpk= 150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 229, 230,
igr2= 357, 358,
&end
#
# 571 LYS H 573 TYR QD 4.50 (#peak 151 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 151, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 357, 358,
&end
#
# 572 PHE H 573 TYR QD 4.96 (#peak 153 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 153, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 357, 358,
&end
#
# 566 TYR H 573 TYR QD 3.74 (#peak 155 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 155, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 357, 358,
&end
#
# 573 TYR HA 573 TYR QD 3.29 (#peak 158 #SUP 0.92 #QF 0.92 )
&rst
ixpk= 158, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 357, 358,
&end
#
# 571 LYS HA 573 TYR QD 5.50 (#peak 160 #SUP 0.34 #QF 0.34 )
&rst
ixpk= 160, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 357, 358,
&end
#
# 571 LYS HB2 573 TYR QD 4.76 (#peak 165 #SUP 0.97 #QF 0.97 )
&rst
ixpk= 165, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 357, 358,
&end
#
# 571 LYS HB3 573 TYR QD 4.21 (#peak 166 #SUP 0.76 #QF 0.76 )
&rst
ixpk= 166, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 357, 358,
&end
#
# 566 TYR QD 573 TYR QE 3.30 (#peak 174 #SUP 0.91 #QF 0.91 )
&rst
ixpk= 174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 229, 230,
igr2= 359, 360,
&end
#
# 567 TRP H 573 TYR QE 4.93 (#peak 175 #SUP 0.90 #QF 0.90 )
&rst
ixpk= 175, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 359, 360,
&end
#
# 566 TYR H 573 TYR QE 4.38 (#peak 177 #SUP 0.95 #QF 0.95 )
&rst
ixpk= 177, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 359, 360,
&end
#
# 566 TYR HB2 573 TYR QE 3.51 (#peak 181 #SUP 0.85 #QF 0.85 )
&rst
ixpk= 181, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 359, 360,
&end
#
# 566 TYR HB3 573 TYR QE 3.51 (#peak 183 #SUP 0.99 #QF 0.99 )
&rst
ixpk= 183, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 359, 360,
&end
#
# 571 LYS HB2 573 TYR QE 3.25 (#peak 184 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 184, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 359, 360,
&end
#
# 571 LYS HB3 573 TYR QE 3.50 (#peak 185 #SUP 0.98 #QF 0.98 )
&rst
ixpk= 185, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 359, 360,
&end
#
# 567 TRP HZ2 568 GLU HB2 4.71 (#peak 194 #SUP 0.82 #QF 0.82 )
&rst
ixpk= 194, nxpk= 0, iat= 255, 269, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 567 TRP HZ2 568 GLU HB3 5.41 (#peak 195 #SUP 0.37 #QF 0.37 )
&rst
ixpk= 195, nxpk= 0, iat= 255, 270, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 567 TRP HH2 568 GLU HB2 4.33 (#peak 197 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 197, nxpk= 0, iat= 257, 269, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 563 PHE HA 563 PHE QD 3.52 (#peak 205 #SUP 0.93 #QF 0.93 )
&rst
ixpk= 205, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 179, 180,
&end
#
# 563 PHE QD 572 PHE HB2 3.58 (#peak 211 #SUP 0.71 #QF 0.71 )
&rst
ixpk= 211, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 179, 180,
&end
#
# 563 PHE QE 574 ARG QB 4.34 (#peak 212 #SUP 0.55 #QF 0.25 )
&rst
ixpk= 212, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 181, 182,
igr2= 375, 376,
&end
#
# 563 PHE QD 608 ILE QD1 4.59 (#peak 216 #SUP 0.81 #QF 0.59 )
&rst
ixpk= 216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 179, 180,
igr2= 906, 907, 908,
&end
#
# 563 PHE QE 608 ILE QD1 4.81 (#peak 216 #SUP 0.81 #QF 0.59 )
&rst
ixpk= 216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 181, 182,
igr2= 906, 907, 908,
&end
#
# 572 PHE H 572 PHE QD 3.58 (#peak 217 #SUP 0.69 #QF 0.69 )
&rst
ixpk= 217, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 336, 337,
&end
#
# 572 PHE QD 606 LYS H 4.07 (#peak 219 #SUP 0.63 #QF 0.63 )
&rst
ixpk= 219, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 336, 337,
&end
#
# 572 PHE QD 573 TYR H 4.76 (#peak 220 #SUP 0.75 #QF 0.75 )
&rst
ixpk= 220, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 336, 337,
&end
#
# 572 PHE QD 605 ILE HA 4.17 (#peak 223 #SUP 0.42 #QF 0.42 )
&rst
ixpk= 223, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 336, 337,
&end
#
# 563 PHE HB3 572 PHE QD 3.94 (#peak 226 #SUP 0.54 #QF 0.54 )
&rst
ixpk= 226, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 336, 337,
&end
#
# 565 LEU HB2 572 PHE QD 5.35 (#peak 228 #SUP 0.91 #QF 0.75 )
&rst
ixpk= 228, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 336, 337,
&end
#
# 565 LEU HB2 572 PHE QE 5.50 (#peak 228 #SUP 0.91 #QF 0.75 )
&rst
ixpk= 228, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 338, 339,
&end
#
# 591 PHE QD 592 ILE H 4.74 (#peak 230 #SUP 0.83 #QF 0.83 )
&rst
ixpk= 230, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 627, 628,
&end
#
# 573 TYR HB3 591 PHE QD 4.16 (#peak 235 #SUP 0.36 #QF 0.36 )
&rst
ixpk= 235, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 627, 628,
&end
#
# 575 ALA QB 591 PHE QD 4.26 (#peak 240 #SUP 0.75 #QF 0.64 )
&rst
ixpk= 240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 393, 394, 395,
igr2= 627, 628,
&end
#
# 573 TYR HB2 591 PHE QD 4.11 (#peak 243 #SUP 0.75 #QF 0.59 )
&rst
ixpk= 243, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 627, 628,
&end
#
# 573 TYR HB2 591 PHE QE 4.46 (#peak 243 #SUP 0.75 #QF 0.59 )
&rst
ixpk= 243, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 629, 630,
&end
#
# 566 TYR QE 567 TRP HD1 3.45 (#peak 249 )
&rst
ixpk= 249, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 231, 232,
&end
#
# 566 TYR QE 567 TRP HZ2 4.51 (#peak 250 #SUP 0.94 #QF 0.94 )
&rst
ixpk= 250, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 231, 232,
&end
#
# 566 TYR QE 568 GLU H 4.02 (#peak 251 )
&rst
ixpk= 251, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 231, 232,
&end
#
# 566 TYR QE 568 GLU QG 3.39 (#peak 254 )
&rst
ixpk= 254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 231, 232,
igr2= 271, 272,
&end
#
# 566 TYR QE 568 GLU HB2 3.09 (#peak 256 )
&rst
ixpk= 256, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 231, 232,
&end
#
# 566 TYR QE 568 GLU HB3 3.42 (#peak 257 )
&rst
ixpk= 257, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 231, 232,
&end
#
# 566 TYR QE 567 TRP H 4.30 (#peak 258 )
&rst
ixpk= 258, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 231, 232,
&end
#
# 566 TYR QE 567 TRP HE1 3.47 (#peak 259 )
&rst
ixpk= 259, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 231, 232,
&end
#
# 573 TYR HA 594 TYR QE 5.50 (#peak 266 #SUP 0.84 #QF 0.84 )
&rst
ixpk= 266, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 681, 682,
&end
#
# 573 TYR QD 594 TYR QE 3.69 (#peak 268 #SUP 0.96 #QF 0.96 )
&rst
ixpk= 268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 357, 358,
igr2= 681, 682,
&end
#
# 591 PHE QB 594 TYR QE 3.61 (#peak 272 #SUP 0.79 #QF 0.79 )
&rst
ixpk= 272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 625, 626,
igr2= 681, 682,
&end
#
# 591 PHE QB 594 TYR QD 2.78 (#peak 277 #SUP 0.66 #QF 0.66 )
&rst
ixpk= 277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 625, 626,
igr2= 679, 680,
&end
#
# 566 TYR QD 568 GLU HB2 4.09 (#peak 280 )
&rst
ixpk= 280, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 229, 230,
&end
#
# 566 TYR QD 568 GLU HB3 4.54 (#peak 281 )
&rst
ixpk= 281, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 229, 230,
&end
#
# 556 TRP HB2 580 LEU QQD 4.63 (#peak 1443 )
&rst
ixpk= 1443, nxpk= 0, iat= 75, 457, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 556 TRP HB3 580 LEU QQD 3.91 (#peak 2312 )
&rst
ixpk= 2312, nxpk= 0, iat= 76, 457, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 556 TRP HE1 580 LEU QQD 4.36 (#peak 1436 )
&rst
ixpk= 1436, nxpk= 0, iat= 78, 457, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 556 TRP HZ2 562 CYS QB 3.83 (#peak 2420 )
&rst
ixpk= 2420, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 161, 162,
&end
#
# 556 TRP HH2 562 CYS QB 3.73 (#peak 71 )
&rst
ixpk= 71, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 161, 162,
&end
#
# 557 LYS H 580 LEU QQD 4.55 (#peak 30 )
&rst
ixpk= 30, nxpk= 0, iat= 92, 457, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 558 PRO HA 580 LEU QQD 3.51 (#peak 1442 )
&rst
ixpk= 1442, nxpk= 0, iat= 112, 457, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 562 CYS QB 563 PHE H 2.89 (#peak 106 )
&rst
ixpk= 106, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 161, 162,
&end
#
# 562 CYS QB 577 VAL QG2 4.44 (#peak 1500 )
&rst
ixpk= 1500, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 161, 162,
igr2= 424, 425, 426,
&end
#
# 562 CYS QB 589 VAL QG1 5.13 (#peak 2697 )
&rst
ixpk= 2697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 161, 162,
igr2= 584, 585, 586,
&end
#
# 562 CYS QB 605 ILE HB 4.44 (#peak 632 )
&rst
ixpk= 632, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 161, 162,
&end
#
# 562 CYS QB 605 ILE QG2 3.06 (#peak 827 )
&rst
ixpk= 827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 161, 162,
igr2= 848, 849, 850,
&end
#
# 562 CYS QB 605 ILE QD1 4.82 (#peak 2682 )
&rst
ixpk= 2682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 161, 162,
igr2= 851, 852, 853,
&end
#
# 562 CYS QB 606 LYS H 4.67 (#peak 564 )
&rst
ixpk= 564, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 161, 162,
&end
#
# 562 CYS QB 608 ILE QG1 5.34 (#peak 1709 )
&rst
ixpk= 1709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 161, 162,
igr2= 901, 902,
&end
#
# 565 LEU H 565 LEU QQD 3.78 (#peak 137 )
&rst
ixpk= 137, nxpk= 0, iat= 202, 199, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 565 LEU H 604 ASN QB 3.94 (#peak 679 )
&rst
ixpk= 679, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 831, 832,
&end
#
# 565 LEU HA 565 LEU QQD 2.93 (#peak 1335 )
&rst
ixpk= 1335, nxpk= 0, iat= 203, 199, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 565 LEU HB2 604 ASN QB 3.52 (#peak 684 )
&rst
ixpk= 684, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 831, 832,
&end
#
# 565 LEU HB3 604 ASN QB 3.68 (#peak 686 )
&rst
ixpk= 686, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 831, 832,
&end
#
# 565 LEU HG 566 TYR QB 5.34 (#peak 2167 )
&rst
ixpk= 2167, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 227, 228,
&end
#
# 565 LEU HG 604 ASN QB 4.05 (#peak 1698 )
&rst
ixpk= 1698, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 831, 832,
&end
#
# 565 LEU QQD 566 TYR H 3.30 (#peak 1325 )
&rst
ixpk= 1325, nxpk= 0, iat= 199, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 565 LEU QQD 566 TYR QB 4.13 (#peak 1337 )
&rst
ixpk= 1337, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2= 227, 228,
&end
#
# 565 LEU QQD 567 TRP HA 5.16 (#peak 1098 )
&rst
ixpk= 1098, nxpk= 0, iat= 199, 249, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, &end
#
# 565 LEU QQD 570 ASN H 4.29 (#peak 1327 )
&rst
ixpk= 1327, nxpk= 0, iat= 199, 293, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 565 LEU QQD 570 ASN HA 2.90 (#peak 1334 )
&rst
ixpk= 1334, nxpk= 0, iat= 199, 294, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 565 LEU QQD 570 ASN HB2 4.40 (#peak 626 )
&rst
ixpk= 626, nxpk= 0, iat= 199, 295, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 565 LEU QQD 570 ASN HB3 3.71 (#peak 1336 )
&rst
ixpk= 1336, nxpk= 0, iat= 199, 296, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 565 LEU QQD 571 LYS H 3.67 (#peak 1328 )
&rst
ixpk= 1328, nxpk= 0, iat= 199, 308, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 565 LEU QQD 571 LYS HA 3.74 (#peak 1333 )
&rst
ixpk= 1333, nxpk= 0, iat= 199, 309, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 565 LEU QQD 572 PHE H 4.30 (#peak 1326 )
&rst
ixpk= 1326, nxpk= 0, iat= 199, 332, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 565 LEU QQD 572 PHE HA 3.80 (#peak 1332 )
&rst
ixpk= 1332, nxpk= 0, iat= 199, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 565 LEU QQD 572 PHE QE 3.92 (#peak 1331 )
&rst
ixpk= 1331, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 338, 339,
&end
#
# 565 LEU QQD 600 VAL QQG 4.74 (#peak 1339 )
&rst
ixpk= 1339, nxpk= 0, iat= 199, 760, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, &end
#
# 565 LEU QQD 604 ASN QB 4.90 (#peak 2607 )
&rst
ixpk= 2607, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 831, 832,
&end
#
# 566 TYR H 566 TYR QB 3.52 (#peak 612 )
&rst
ixpk= 612, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 227, 228,
&end
#
# 566 TYR QB 567 TRP H 3.97 (#peak 152 )
&rst
ixpk= 152, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 227, 228,
&end
#
# 566 TYR QB 568 GLU QG 5.00 (#peak 2475 )
&rst
ixpk= 2475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 227, 228,
igr2= 271, 272,
&end
#
# 566 TYR QB 569 ASP H 4.04 (#peak 169 )
&rst
ixpk= 169, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 227, 228,
&end
#
# 566 TYR QB 571 LYS H 3.99 (#peak 199 )
&rst
ixpk= 199, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 227, 228,
&end
#
# 566 TYR QB 573 TYR QD 3.03 (#peak 163 )
&rst
ixpk= 163, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 227, 228,
igr2= 357, 358,
&end
#
# 566 TYR QB 573 TYR QE 3.01 (#peak 181 )
&rst
ixpk= 181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 227, 228,
igr2= 359, 360,
&end
#
# 577 VAL HB 580 LEU QQD 5.01 (#peak 2440 )
&rst
ixpk= 2440, nxpk= 0, iat= 420, 457, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, &end
#
# 577 VAL QG1 580 LEU QQD 2.86 (#peak 1522 )
&rst
ixpk= 1522, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 421, 422, 423,
&end
#
# 579 ALA HA 580 LEU QQD 4.15 (#peak 249 )
&rst
ixpk= 249, nxpk= 0, iat= 448, 457, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 580 LEU H 580 LEU QQD 3.87 (#peak 318 )
&rst
ixpk= 318, nxpk= 0, iat= 460, 457, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 580 LEU HA 580 LEU QQD 3.85 (#peak 57 )
&rst
ixpk= 57, nxpk= 0, iat= 461, 457, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 580 LEU QB 580 LEU QQD 2.76 (#peak 1975 )
&rst
ixpk= 1975, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 462, 463,
&end
#
# 580 LEU QQD 581 HIS H 4.18 (#peak 336 )
&rst
ixpk= 336, nxpk= 0, iat= 457, 481, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 580 LEU QQD 587 ALA H 4.97 (#peak 1437 )
&rst
ixpk= 1437, nxpk= 0, iat= 457, 553, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, &end
#
# 580 LEU QQD 587 ALA HA 3.52 (#peak 2364 )
&rst
ixpk= 2364, nxpk= 0, iat= 457, 554, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 580 LEU QQD 587 ALA QB 2.84 (#peak 1446 )
&rst
ixpk= 1446, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 555, 556, 557,
&end
#
# 580 LEU QQD 589 VAL H 5.24 (#peak 1437 )
&rst
ixpk= 1437, nxpk= 0, iat= 457, 581, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, &end
#
# 580 LEU QQD 605 ILE QD1 3.70 (#peak 1448 )
&rst
ixpk= 1448, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 851, 852, 853,
&end
#
# 588 VAL HA 597 TYR QB 5.34 (#peak 2575 )
&rst
ixpk= 2575, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 719, 720,
&end
#
# 588 VAL QG1 597 TYR QB 3.09 (#peak 1984 )
&rst
ixpk= 1984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 568, 569, 570,
igr2= 719, 720,
&end
#
# 590 LYS HA 597 TYR QB 4.52 (#peak 46 )
&rst
ixpk= 46, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 719, 720,
&end
#
# 590 LYS HB2 590 LYS QE 4.12 (#peak 99 )
&rst
ixpk= 99, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 607, 608,
&end
#
# 590 LYS HB3 590 LYS QE 5.14 (#peak 478 )
&rst
ixpk= 478, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 607, 608,
&end
#
# 590 LYS QE 592 ILE HA 5.08 (#peak 1216 )
&rst
ixpk= 1216, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 607, 608,
&end
#
# 590 LYS QE 595 GLY H 4.41 (#peak 450 )
&rst
ixpk= 450, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 607, 608,
&end
#
# 590 LYS QE 595 GLY HA2 4.48 (#peak 1753 )
&rst
ixpk= 1753, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 607, 608,
&end
#
# 590 LYS QE 596 ASN H 4.14 (#peak 664 )
&rst
ixpk= 664, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 607, 608,
&end
#
# 596 ASN HA 597 TYR QB 5.34 (#peak 2575 )
&rst
ixpk= 2575, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 719, 720,
&end
#
# 597 TYR H 597 TYR QB 3.39 (#peak 378 )
&rst
ixpk= 378, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 719, 720,
&end
#
# 597 TYR QB 598 GLU H 3.63 (#peak 471 )
&rst
ixpk= 471, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 719, 720,
&end
#
# 600 VAL HA 604 ASN QB 5.02 (#peak 173 )
&rst
ixpk= 173, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 831, 832,
&end
#
# 600 VAL HB 604 ASN QB 4.70 (#peak 2611 )
&rst
ixpk= 2611, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 831, 832,
&end
#
# 600 VAL QQG 604 ASN QB 3.20 (#peak 1393 )
&rst
ixpk= 1393, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 831, 832,
&end
#
# 601 LEU H 604 ASN QB 3.89 (#peak 500 )
&rst
ixpk= 500, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 831, 832,
&end
#
# 601 LEU QB 603 SER QB 4.41 (#peak 1252 )
&rst
ixpk= 1252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 782, 783,
igr2= 818, 819,
&end
#
# 601 LEU QB 604 ASN QB 4.57 (#peak 1011 )
&rst
ixpk= 1011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 782, 783,
igr2= 831, 832,
&end
#
# 601 LEU HG 603 SER QB 5.34 (#peak 2604 )
&rst
ixpk= 2604, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 818, 819,
&end
#
# 601 LEU HG 604 ASN QB 4.88 (#peak 551 )
&rst
ixpk= 551, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 831, 832,
&end
#
# 601 LEU QQD 603 SER QB 4.16 (#peak 2605 )
&rst
ixpk= 2605, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 818, 819,
&end
#
# 602 LEU QB 603 SER QB 5.34 (#peak 2604 )
&rst
ixpk= 2604, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 801, 802,
igr2= 818, 819,
&end
#
# 603 SER H 603 SER QB 3.63 (#peak 2601 )
&rst
ixpk= 2601, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 818, 819,
&end
#
# 603 SER QB 604 ASN HA 5.16 (#peak 2592 )
&rst
ixpk= 2592, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 818, 819,
&end
#
# 603 SER QB 605 ILE H 5.34 (#peak 2593 )
&rst
ixpk= 2593, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 818, 819,
&end
#
# 604 ASN H 604 ASN QB 3.01 (#peak 530)
&rst
ixpk= 530, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 831, 832,
&end
#
# 617 DA2 QHC1 573 TYR QD 5.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1055,1056,1057,
igr2= 357, 358,
&end
#
# 617 DA2 QHC2 573 TYR QE 4.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1052,1053,1054,
igr2= 359, 360,
&end
#
# 617 DA2 QHC2 594 TYR HE1 4.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1052,1053,1054,
&end
#
# 617 DA2 QHC1 594 TYR HD1 4.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1055,1056,1057,
&end
#
# 617 DA2 HCD1 566 TYR HE1 5.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat=1048, 231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 617 DA2 HCD1 566 TYR HE2 5.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat=1048, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 617 DA2 HCD2 594 TYR HE2 5.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat=1047, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 617 DA2 HCD2 594 TYR HD2 4.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat=1047, 680, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 617 DA2 QHC2 566 TYR HE2 4.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1052,1053,1054,
&end
#
# 617 DA2 QHC1 566 TYR HE1 4.5 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1055,1056,1057,
&end
#
# 618 TYR HH 568 GLU CD 6.0 (#peak 9999)
&rst
ixpk= 9999, nxpk= 0, iat=1078, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
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