NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
538519 |
2lkx   |
18015 | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
#
# 91 GUA H5'1 0 AMB pd_1.88 6
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
igr2= 44, 67,
&end
#
# 90 ADE H5'1 0 AMB pd_1.88 6
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 44, 67,
&end
#
# 91 GUA H8 0 AMB pd_3.30 6
&rst
ixpk= 0, nxpk= 0, iat=1896, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 73, 74, 49, 50,
&end
#
# 91 GUA H5'1 0 AMB pd_1.76 6
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 68, 46, 47,
&end
#
# 91 GUA H3' 0 AMB pd_1.76 6
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 68, 46, 47,
&end
#
# 90 ADE H5'1 0 AMB pd_1.76 6
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 68, 46, 47,
&end
#
# 75 ADE H1' 0 AMB pd_1.88 6
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 44, 67,
&end
#
# 74 ADE XXX 0 AMB pd_1.88 6
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 44, 67,
&end
#
# 76 THY H1' 0 AMB pd_1.76 6
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 68, 46, 47,
&end
#
# 74 ADE XXX 0 AMB pd_1.76 6
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 68, 46, 47,
&end
#
# 75 ADE H1' 0 AMB pd_1.76 6
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 68, 46, 47,
&end
#
# 88 THY H1' 0 AMB pd_3.30 6
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 73, 74, 49, 50,
&end
#
# 75 ADE H1' 0 AMB pd_3.30 6
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 73, 74, 49, 50,
&end
#
# 74 ADE XXX 0 AMB pd_3.30 6
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 73, 74, 49, 50,
&end
#
# 90 ADE H1' 0 AMB pd_3.30 6
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 73, 74, 49, 50,
&end
#
# 91 GUA H3' 0 AMB pd_3.30 6
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 73, 74, 49, 50,
&end
#
# 75 ADE H4' 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 74 ADE H3' 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 76 THY H1' 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820,
&end
#
# 75 ADE H2'2 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 74 ADE H1' 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 75 ADE H3' 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 76 THY BBB 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 75 ADE H1' 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 75 ADE H8 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 74 ADE H8 0 AMB pd_1.12 6
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 814, 815, 816, 818, 819, 820, 876,
&end
#
# 56 ALA QB 88 THY H3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 7.51, r4= 7.71,
rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
igr1= 956, 957, 958,
&end
#
# 60 LYS QPE 73 THY H3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1045,1046,
&end
#
# 52 LYS HD3 77 CYT CCC 7
&rst
ixpk= 0, nxpk= 0, iat= 879,1456, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 ARG HD2 90 ADE XXX 6
&rst
ixpk= 0, nxpk= 0, iat= 114,1873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 TYR CZ 85 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 7 ARG HD3 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= 115,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE HZ 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 171,1358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS DDD 86 GUA EEE 6
&rst
ixpk= 0, nxpk= 0, iat= 876,1741, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
# 52 LYS HHH 85 GUA EEE 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS HD2 77 CYT CCC 6
&rst
ixpk= 0, nxpk= 0, iat= 878,1456, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
# 8 THR QG2 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 134, 135, 136,
&end
#
# 6 GLN QPB 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 91, 92,
&end
#
# 52 LYS FFF 87 ADE H61 6
&rst
ixpk= 0, nxpk= 0, iat= 875,1773, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ARG HD2 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= 114,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 THR QG2 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 134, 135, 136,
&end
#
# 10 PHE QD 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.23,
igr1= 167, 175,
&end
#
# 52 LYS GGG 76 THY H3 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 TYR QD 84 GUA H1' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 463,
&end
#
# 7 ARG FFF 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= 111,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS GGG 76 THY BBB 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1422, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
# 52 LYS DDD 77 CYT CCC 7
&rst
ixpk= 0, nxpk= 0, iat= 876,1456, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 MET QE 82 CYT H1' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 504, 505, 506,
&end
#
# 52 LYS HHH 76 THY BBB 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1422, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
# 52 LYS HHH 76 THY H3 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 LYS QPE 87 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1045,1046,
&end
#
# 52 LYS DDD 76 THY H3 6
&rst
ixpk= 0, nxpk= 0, iat= 876,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ARG FFF 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= 111,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ARG DDD 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= 112,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN HB2 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 894,1358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 GLN III 74 ADE H1' 6
# &rst
# ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.23,
## igr1= 94, 95,
# &end
#
# 27 TYR CZ 84 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.23,
igr1= 456, 461,
&end
#
# 48 ARG QPD 83 GUA H1' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 794, 795,
&end
#
# 52 LYS GGG 86 GUA EEE 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS GGG 86 GUA H8 7
# &rst
# ixpk= 0, nxpk= 0, iat= 881,1735, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.50, &end
#
# 53 ASN HB3 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 895,1358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 THR HA 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= 130,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ARG QPD 84 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 794, 795,
&end
#
# 10 PHE CZ 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 169, 173,
&endH5 DC 77
#
# 27 TYR CZ 84 GUA H1' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 52 LYS GGG 85 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1702, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
# 52 LYS HHH 86 GUA EEE 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1741, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
52 LYS HHH 86 GUA H8 7
&rst
ixpk= 0, nxpk= 0, iat= 882,1735, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 ARG QPD 83 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 794, 795,
&end
#
# 7 ARG DDD 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= 112,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS HHH 85 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1702, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 MET QE 83 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 7.51, r4= 7.71,
igr1= 504, 505, 506,
&end
#
# 8 THR HB 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= 132,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 LYS QPE 86 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1045,1046,
&end
#
# 52 LYS GGG 77 CYT H42 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 ALA HA 74 ADE H1' 6
# &rst
# ixpk= 0, nxpk= 0, iat= 954,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS HHH 77 CYT H41 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1459, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE QD 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 175,
&end
#
# 52 LYS GGG 77 CYT CCC 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 LEU QD2 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 251, 252, 253,
&end
#
# 52 LYS HHH 77 CYT CCC 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE QD 74 ADE H4' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 175,
&end
#
# 52 LYS HHH 77 CYT H42 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS GGG 77 CYT H41 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1459, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE HZ 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= 171,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 PHE CZ 74 ADE H4' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 169, 173,
&end
#
# 56 ALA QB 86 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 956, 957, 958,
&end
#
# 48 ARG QPD 83 GUA H3' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 794, 795,
&end
#
# 8 THR QG2 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 134, 135, 136,
&end
#
# 52 LYS HHH 84 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= 882,1669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS GGG 77 CYT JJJ 7
&rst
ixpk= 0, nxpk= 0, iat= 881,1454, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 10 PHE QD 74 ADE H5'1 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 175,
&end
#
# 52 LYS GGG 84 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= 881,1669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 THR QG2 74 ADE H4' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 134, 135, 136,
&end
#
# 27 TYR QD 84 GUA H5'2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 463,
&end
#
# 10 PHE CZ 74 ADE H5'2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 169, 173,
&end
#
# 27 TYR QD 84 GUA H4' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 463,
&end
#
# 60 LYS QPE 88 THY M7 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1045,1046,
igr2=1803,1804,
&end
#
# 52 LYS HHH 77 CYT JJJ 7
&rst
ixpk= 0, nxpk= 0, iat= 882,1454, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 10 PHE CZ 74 ADE H5'1 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 169, 173,
&end
#
# 10 PHE CZ 74 ADE H3' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 169, 173,
&end
#
# 27 TYR QD 84 GUA H5'1 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 454, 463,
&end
#
# 8 THR QG2 74 ADE H5'1 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 134, 135, 136,
&end
#
# 10 PHE QD 74 ADE H5'2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 175,
&end
#
# 27 TYR CZ 84 GUA H5'2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 27 TYR CZ 84 GUA H5'1 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 27 TYR CZ 84 GUA H4' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 52 LYS GGG 76 THY M7 6
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1425,1426,
&end
#
# 52 LYS HHH 76 THY M7 6
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1425,1426,
&end
#
# 48 ARG DDD 84 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= 792,1669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ARG FFF 84 GUA H8 6
&rst
ixpk= 0, nxpk= 0, iat= 791,1669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 ALA QB 87 ADE H61 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 956, 957, 958,
&end
#
# 56 ALA QB 73 THY H1' 6
# &rst
# ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.71,
# igr1= 956, 957, 958,
# &end
#
# 30 MET QE 82 CYT H4' 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 504, 505, 506,
&end
#
# 49 VAL HA 76 THY M7 6
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1425,1426,
&end
#
# 49 VAL HA 76 THY BBB 6.5
&rst
ixpk= 0, nxpk= 0, iat= 810,1422, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 49 VAL HA 74 ADE H8 7
&rst
ixpk= 0, nxpk= 0, iat= 810,1358, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.50, &end
#
# 49 VAL HA 75 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 810,1390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 VAL HB 75 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 812,1390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 THR HN 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= 128,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
&end
#
# 53 ASN KKK 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 899,1358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN KKK 75 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 899,1390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN LLL 74 ADE XXX 6
&rst
ixpk= 0, nxpk= 0, iat= 900,1367, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.50, &end
#
# 53 ASN LLL 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 900,1358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN LLL 74 ADE H1' 6
&rst
ixpk= 0, nxpk= 0, iat= 900,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN LLL 75 ADE H62 6
&rst
ixpk= 0, nxpk= 0, iat= 900,1396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN LLL 75 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 900,1390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN HN 74 ADE H8 6
&rst
ixpk= 0, nxpk= 0, iat= 890,1358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS NZ 77 CYT H42 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
igr1= 884, 885, 886,
&end
#
# 52 LYS NZ 75 ADE H62 8
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 884, 885, 886,
&end
#
# 52 LYS NZ 86 GUA EEE 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 884, 885, 886,
&end
#
# 52 LYS NZ 77 CYT CCC 8
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 884, 885, 886,
&end
#
# 52 LYS NZ 87 ADE H62 6.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 884, 885, 886,
&end
#
# 52 LYS NZ 77 CYT H41 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 884, 885, 886,
&end
#
# 57 LYS QPE 73 THY BBB 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 975, 976,
&end
#
# 85 GUA H1 86 GUA H1 2.505 5.142 (# 1.35E+007 3.77 2.64 2.637 )
&rst
ixpk= 1, nxpk= 0, iat=1708,1741, r1= 2.01, r2= 2.51, r3= 5.14, r4= 5.64,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 86 GUA H1 85 GUA H1 2.433 4.993 (# 1.61E+007 3.66 2.56 2.561 )
&rst
ixpk= 1, nxpk= 0, iat=1741,1708, r1= 1.93, r2= 2.43, r3= 4.99, r4= 5.49, &end
#
# 86 GUA H1 86 GUA H1* 2.757 5.660 (# 7.61E+006 4.15 2.9 2.902 )
&rst
ixpk= 7, nxpk= 0, iat=1741,1732, r1= 2.26, r2= 2.76, r3= 5.86, r4= 6.16, &end
#
# 86 GUA H1 77 CYT H1* 2.553 5.241 (# 1.21E+007 3.84 2.69 2.688 )
&rst
ixpk= 1, nxpk= 0, iat=1741,1451, r1= 2.05, r2= 2.55, r3= 5.44, r4= 5.74, &end
#
# 91 GUA H1 92 ADE H2 2.862 5.875 (# 6.08E+006 4.3 3.01 3.013 )
&rst
ixpk= 6, nxpk= 0, iat=1902,1938, r1= 2.36, r2= 2.86, r3= 5.88, r4= 6.38, &end
#
# 86 GUA H1 76 THY H3 2.654 5.447 (# 9.58E+006 3.99 2.79 2.793 )
&rst
ixpk= 9, nxpk= 0, iat=1741,1431, r1= 2.15, r2= 2.65, r3= 5.45, r4= 5.95, &end
#
# 93 GUA H1 70 CYT H41 2.782 5.710 (# 7.21E+006 4.18 2.93 2.928 )
&rst
ixpk= 7, nxpk= 0, iat=1967,1239, r1= 2.28, r2= 2.78, r3= 5.71, r4= 6.21, &end
#
# 91 GUA H1 72 CYT H41 2.687 5.514 (# 8.89E+006 4.04 2.83 2.828 )
&rst
ixpk= 8, nxpk= 0, iat=1902,1301, r1= 2.19, r2= 2.69, r3= 5.51, r4= 6.01, &end
#
# 86 GUA H1 78 CYT H42 2.781 5.709 (# 7.22E+006 4.18 2.93 2.928 )
&rst
ixpk= 7, nxpk= 0, iat=1741,1490, r1= 2.28, r2= 2.78, r3= 5.71, r4= 6.21, &end
#
# 85 GUA H1 78 CYT H42 2.304 4.729 (# 2.24E+007 3.46 2.43 2.425 )
&rst
ixpk= 2, nxpk= 0, iat=1708,1490, r1= 1.80, r2= 2.10, r3= 4.73, r4= 5.23, &end
#
# 86 GUA H1 77 CYT H42 1.995 4.399 (# 3.45E+007 3.22 2.26 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1741,1460, r1= 1.50, r2= 2.00, r3= 4.40, r4= 4.90, &end
#
# 86 GUA H1 77 CYT H5 1.995 4.466 (# 3.15E+007 3.27 2.29 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1741,1456, r1= 1.50, r2= 2.00, r3= 4.67, r4= 4.97, &end
#
# 85 GUA H1 79 CYT H5 2.826 5.801 (# 6.57E+006 4.25 2.97 2.975 )
&rst
ixpk= 6, nxpk= 0, iat=1708,1516, r1= 2.33, r2= 2.83, r3= 5.80, r4= 6.30, &end
#
# 85 GUA H1 77 CYT H5 2.709 5.560 (# 8.47E+006 4.07 2.85 2.851 )
&rst
ixpk= 8, nxpk= 0, iat=1708,1456, r1= 2.21, r2= 2.71, r3= 5.75, r4= 6.06, &end
#
# 91 GUA H1 72 CYT H5 2.620 5.378 (# 1.03E+007 3.94 2.76 2.758 )
&rst
ixpk= 1, nxpk= 0, iat=1902,1298, r1= 2.12, r2= 2.62, r3= 5.38, r4= 5.88, &end
#
# 86 GUA H1 78 CYT H5 2.578 5.291 (# 1.14E+007 3.88 2.71 2.714 )
&rst
ixpk= 1, nxpk= 0, iat=1741,1486, r1= 2.08, r2= 2.58, r3= 5.7, r4= 5.9, &end
#
# 86 GUA H1 76 THY M7 2.850 6 (# 6.24E+006 4.29 3 3.000 )
&rst
ixpk= 6, nxpk= 0, iat=1741, -1, r1= 2.35, r2= 2.85, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 87 ADE H1* 86 GUA H1 2.680 5.500 (# 9.03E+006 4.03 2.82 2.821 )
&rst
ixpk= 9, nxpk= 0, iat=1765,1741, r1= 2.18, r2= 2.68, r3= 5.70, r4= 6.00, &end
#
# 77 CYT H1* 86 GUA H1 2.549 5.233 (# 1.22E+007 3.83 2.68 2.684 )
&rst
ixpk= 1, nxpk= 0, iat=1451,1741, r1= 2.05, r2= 2.55, r3= 5.53, r4= 5.73, &end
#
# 88 THY H1* 87 ADE H1* 1.995 4.545 (# 2.84E+007 3.33 2.33 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1797,1765, r1= 1.50, r2= 2.00, r3= 4.55, r4= 5.05, &end
#
# 93 GUA H1* 94 CYT H1* 2.378 4.880 (# 1.85E+007 3.58 2.5 2.503 )
&rst
ixpk= 1, nxpk= 0, iat=1958,1991, r1= 1.88, r2= 2.38, r3= 4.88, r4= 5.38, &end
#
# 80 CYT H1* 81 GUA H1* 2.439 5.007 (# 1.59E+007 3.67 2.57 2.568 )
&rst
ixpk= 1, nxpk= 0, iat=1541,1571, r1= 1.94, r2= 2.44, r3= 5.01, r4= 5.51, &end
#
# 87 ADE H1* 88 THY H1* 1.995 4.513 (# 2.96E+007 3.31 2.31 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1765,1797, r1= 1.50, r2= 2.00, r3= 4.51, r4= 5.01, &end
#
# 77 CYT H1* 87 ADE H2 1.995 4.231 (# 4.36E+007 3.1 2.17 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1451,1777, r1= 1.50, r2= 2.00, r3= 4.23, r4= 4.73, &end
#
# 88 THY H1* 75 ADE H2 2.353 4.830 (# 1.97E+007 3.54 2.48 2.477 )
&rst
ixpk= 1, nxpk= 0, iat=1797,1399, r1= 1.85, r2= 2.35, r3= 4.83, r4= 5.33, &end
#
# 80 CYT H1* 80 CYT H2*1 1.995 3.601 (# 1.15E+008 2.64 1.85 2.400 2.24-2.39 )
&rst
ixpk= 1, nxpk= 0, iat=1541,1557, r1= 1.50, r2= 2.00, r3= 3.60, r4= 4.10, &end
#
# 88 THY H1* 88 THY H2*1 1.995 4.017 (# 5.96E+007 2.94 2.06 2.400 2.24-2.39 )
&rst
ixpk= 5, nxpk= 0, iat=1797,1815, r1= 1.50, r2= 2.00, r3= 4.02, r4= 4.52, &end
#
# 88 THY H1* 89 THY H2*1 2.697 5.536 (# 8.69E+006 4.06 2.84 2.839 )
&rst
ixpk= 8, nxpk= 0, iat=1797,1847, r1= 2.20, r2= 2.70, r3= 5.54, r4= 6.04, &end
#
# 75 ADE H1* 75 ADE H2*2 1.995 4.329 (# 3.80E+007 3.17 2.22 2.400 2.24-2.39 )
&rst
ixpk= 3, nxpk= 0, iat=1387,1406, r1= 1.50, r2= 2.00, r3= 4.33, r4= 4.83, &end
#
# 77 CYT H1* 77 CYT H2*2 1.995 3.192 (# 2.37E+008 2.34 1.64 2.400 2.24-2.39 )
&rst
ixpk= 2, nxpk= 0, iat=1451,1468, r1= 1.50, r2= 2.00, r3= 3.19, r4= 3.69, &end
#
# 92 ADE H1* 92 ADE H2*2 1.995 3.412 (# 1.58E+008 2.5 1.75 2.400 2.24-2.39 )
&rst
ixpk= 1, nxpk= 0, iat=1926,1945, r1= 1.50, r2= 2.00, r3= 3.41, r4= 3.91, &end
#
# 90 ADE H1* 90 ADE H2*2 2.529 5.396 (# 1.01E+007 3.95 2.77 2.767 2.24-2.39 )
&rst
ixpk= 1, nxpk= 0, iat=1861,1880, r1= 2.13, r2= 2.33, r3= 5.40, r4= 5.90, &end
#
# 86 GUA H1* 86 GUA H2*2 1.995 3.838 (# 7.82E+007 2.81 1.97 2.400 2.24-2.39 )
&rst
ixpk= 7, nxpk= 0, iat=1732,1752, r1= 1.50, r2= 2.00, r3= 3.84, r4= 4.34, &end
#
# 77 CYT H1* 76 THY H3 2.872 5.894 (# 5.96E+006 4.32 3.02 3.023 )
&rst
ixpk= 5, nxpk= 0, iat=1451,1431, r1= 2.37, r2= 2.87, r3= 5.89, r4= 6.39, &end
#
# 88 THY H1* 88 THY H3 2.664 5.467 (# 9.37E+006 4.01 2.8 2.804 )
&rst
ixpk= 9, nxpk= 0, iat=1797,1809, r1= 2.16, r2= 2.66, r3= 5.47, r4= 5.97, &end
#
# 88 THY H1* 76 THY H3 2.898 5.948 (# 5.65E+006 4.36 3.05 3.050 )
&rst
ixpk= 5, nxpk= 0, iat=1797,1431, r1= 2.40, r2= 2.90, r3= 5.95, r4= 6.45, &end
#
# 74 ADE H1* 74 ADE H3* 2.498 5.127 (# 1.38E+007 3.76 2.63 2.629 3.83-4.03 )
&rst
ixpk= 1, nxpk= 0, iat=1355,1371, r1= 2.00, r2= 2.50, r3= 5.13, r4= 5.63, &end
#
# 91 GUA H1* 91 GUA H3* 2.377 4.878 (# 1.86E+007 3.57 2.5 2.502 3.83-4.03 )
&rst
ixpk= 1, nxpk= 0, iat=1893,1910, r1= 1.88, r2= 2.38, r3= 4.88, r4= 5.38, &end
#
# 69 GUA H1* 70 CYT H5 1.995 4.075 (# 5.46E+007 2.99 2.09 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1198,1236, r1= 1.50, r2= 2.00, r3= 4.07, r4= 4.57, &end
#
# 93 GUA H1* 94 CYT H5 1.995 4.192 (# 4.61E+007 3.07 2.15 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1958,1996, r1= 1.50, r2= 2.00, r3= 4.19, r4= 4.69, &end
#
# 70 CYT H1* 70 CYT H5 2.297 5.714 (##+1 2.28E+007 3.45 2.42 2.417 )
&rst
ixpk= 2, nxpk= 0, iat=1231,1236, r1= 1.80, r2= 2.30, r3= 5.71, r4= 6.21, &end
#
# 88 THY H1* 89 THY H6 1.995 4.317 (# 3.86E+007 3.16 2.21 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1797,1832, r1= 1.50, r2= 2.00, r3= 4.32, r4= 4.82, &end
#
# 88 THY H1* 88 THY H6 1.995 4.079 (# 5.43E+007 2.99 2.09 2.400 3.55-3.75 )
&rst
ixpk= 5, nxpk= 0, iat=1797,1800, r1= 1.50, r2= 2.00, r3= 4.08, r4= 4.58, &end
#
# 70 CYT H1* 71 THY H6 1.995 3.695 (# 9.83E+007 2.71 1.89 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1231,1264, r1= 1.50, r2= 2.00, r3= 3.69, r4= 4.19, &end
#
# 80 CYT H1* 80 CYT H6 1.995 3.641 (# 1.07E+008 2.67 1.87 2.400 3.55-3.75 )
&rst
ixpk= 1, nxpk= 0, iat=1541,1544, r1= 1.50, r2= 2.00, r3= 3.64, r4= 4.14, &end
#
# 77 CYT H1* 78 CYT H6 1.995 3.860 (# 7.56E+007 2.83 1.98 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1451,1484, r1= 1.50, r2= 2.00, r3= 4.06, r4= 4.36, &end
#
# 90 ADE H1* 91 GUA H8 2.298 4.717 (# 2.27E+007 3.46 2.42 2.419 )
&rst
ixpk= 2, nxpk= 0, iat=1861,1896, r1= 1.80, r2= 2.30, r3= 4.72, r4= 5.22, &end
#
# 74 ADE H1* 74 ADE H8 2.405 4.936 (# 1.73E+007 3.62 2.53 2.531 3.80-3.90 )
&rst
ixpk= 1, nxpk= 0, iat=1355,1358, r1= 1.90, r2= 2.40, r3= 4.94, r4= 5.44, &end
#
# 91 GUA H1* 92 ADE H8 2.856 5.862 (# 6.16E+006 4.29 3.01 3.006 )
&rst
ixpk= 6, nxpk= 0, iat=1893,1929, r1= 2.36, r2= 2.86, r3= 5.86, r4= 6.36, &end
#
# 86 GUA H1* 87 ADE H8 1.995 3.737 (# 9.18E+007 2.74 1.92 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1732,1768, r1= 1.50, r2= 2.00, r3= 3.74, r4= 4.24, &end
#
# 92 ADE H1* 92 ADE H8 1.995 3.990 (# 6.20E+007 2.92 2.05 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1926,1929, r1= 1.50, r2= 2.00, r3= 3.99, r4= 4.49, &end
#
# 91 GUA H1* 91 GUA H8 2.431 4.990 (# 1.62E+007 3.66 2.56 2.559 3.80-3.90 )
&rst
ixpk= 1, nxpk= 0, iat=1893,1896, r1= 1.93, r2= 2.43, r3= 4.99, r4= 5.49, &end
#
# 87 ADE H1* 87 ADE H8 1.995 3.874 (# 7.40E+007 2.84 1.99 2.400 3.80-3.90 )
&rst
ixpk= 7, nxpk= 0, iat=1765,1768, r1= 1.50, r2= 2.00, r3= 3.87, r4= 4.37, &end
#
# 84 GUA H1* 85 GUA H8 1.995 3.701 (# 9.74E+007 2.71 1.9 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1666,1702, r1= 1.50, r2= 2.00, r3= 3.70, r4= 4.20, &end
#
# 87 ADE H1* 88 THY M7 1.995 6 (# 5.60E+007 2.97 2.08 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1765, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1803,1804,1805,
&end
#
# 87 ADE H1* 89 THY M7 2.520 6 (# 1.30E+007 3.79 2.65 2.653 )
&rst
ixpk= 1, nxpk= 0, iat=1765, -1, r1= 2.02, r2= 2.52, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 88 THY H1* 89 THY M7 1.995 6 (# 6.67E+007 2.89 2.02 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1797, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 89 THY H1* 89 THY M7 2.455 6 (# 1.53E+007 3.69 2.58 2.584 )
&rst
ixpk= 1, nxpk= 0, iat=1829, -1, r1= 1.95, r2= 2.45, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 75 ADE H1* 76 THY M7 1.995 6 (# 2.81E+007 3.34 2.33 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1387, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 88 THY H1* 88 THY M7 2.289 6 (# 2.32E+007 3.44 2.41 2.410 )
&rst
ixpk= 2, nxpk= 0, iat=1797, -1, r1= 1.79, r2= 2.29, r3= 7.21, r4= 7.71,
igr2=1803,1804,1805,
&end
#
# 86 GUA H1* 88 THY M7 2.482 6 (# 1.43E+007 3.73 2.61 2.613 )
&rst
ixpk= 1, nxpk= 0, iat=1732, -1, r1= 1.98, r2= 2.48, r3= 7.21, r4= 7.71,
igr2=1803,1804,1805,
&end
#
# 92 ADE H2 93 GUA H1 3.015 6.189 (# 4.45E+006 4.53 3.17 3.174 )
&rst
ixpk= 4, nxpk= 0, iat=1938,1967, r1= 2.52, r2= 3.02, r3= 6.19, r4= 6.69, &end
#
# 87 ADE H2 77 CYT H1* 1.995 4.173 (# 4.74E+007 3.06 2.14 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1777,1451, r1= 1.50, r2= 2.00, r3= 4.17, r4= 4.67, &end
#
# 90 ADE H2 74 ADE H2 2.566 5.267 (# 1.17E+007 3.86 2.7 2.701 )
&rst
ixpk= 1, nxpk= 0, iat=1873,1367, r1= 2.07, r2= 2.57, r3= 5.27, r4= 5.77, &end
#
# 90 ADE H2 73 THY H3 2.298 4.718 (# 2.27E+007 3.46 2.42 2.419 )
&rst
ixpk= 2, nxpk= 0, iat=1873,1335, r1= 1.80, r2= 2.30, r3= 4.72, r4= 5.22, &end
#
# 90 ADE H2 89 THY H3 2.830 5.810 (# 6.50E+006 4.26 2.98 2.979 )
&rst
ixpk= 6, nxpk= 0, iat=1873,1841, r1= 2.33, r2= 2.83, r3= 5.81, r4= 6.31, &end
#
# 74 ADE H2 73 THY H3 2.765 5.676 (# 7.48E+006 4.16 2.91 2.911 )
&rst
ixpk= 7, nxpk= 0, iat=1367,1335, r1= 2.27, r2= 2.77, r3= 5.68, r4= 6.18, &end
#
# 75 ADE H2 89 THY H3 1.995 3.959 (# 6.50E+007 2.9 2.03 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1399,1841, r1= 1.50, r2= 2.00, r3= 3.96, r4= 4.46, &end
#
# 92 ADE H2 71 THY H3 1.995 4.274 (# 4.10E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1938,1273, r1= 1.50, r2= 2.00, r3= 4.27, r4= 4.77, &end
#
# 87 ADE H2 77 CYT H5 2.325 5.00 (# 2.12E+007 3.5 2.45 2.447 )
&rst
ixpk= 2, nxpk= 0, iat=1777,1456, r1= 1.83, r2= 2.33, r3= 5.30, r4= 5.57, &end
#
# 87 ADE H2 88 THY H6 2.358 4.840 (# 1.94E+007 3.55 2.48 2.482 )
&rst
ixpk= 1, nxpk= 0, iat=1777,1800, r1= 1.86, r2= 2.36, r3= 5.50, r4= 5.74, &end
#
# 87 ADE H2 76 THY M7 2.433 6 (# 1.61E+007 3.66 2.56 2.561 )
&rst
ixpk= 1, nxpk= 0, iat=1777, -1, r1= 1.93, r2= 2.43, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 80 CYT H2*1 81 GUA H1* 2.735 5.614 (# 7.99E+006 4.11 2.88 2.879 )
&rst
ixpk= 7, nxpk= 0, iat=1557,1571, r1= 2.23, r2= 2.73, r3= 5.61, r4= 6.11, &end
#
# 75 ADE H2*1 75 ADE H1* 1.995 4.297 (# 3.98E+007 3.15 2.2 2.400 2.65-3.01 )
&rst
ixpk= 3, nxpk= 0, iat=1405,1387, r1= 1.50, r2= 2.00, r3= 4.30, r4= 4.80, &end
#
# 88 THY H2*1 88 THY H1* 1.995 4.178 (# 4.70E+007 3.06 2.14 2.400 2.65-3.01 )
&rst
ixpk= 4, nxpk= 0, iat=1815,1797, r1= 1.50, r2= 2.00, r3= 4.18, r4= 4.68, &end
#
# 80 CYT H2*1 80 CYT H1* 1.995 3.508 (# 1.34E+008 2.57 1.8 2.400 2.65-3.01 )
&rst
ixpk= 1, nxpk= 0, iat=1557,1541, r1= 1.50, r2= 2.00, r3= 3.51, r4= 4.01, &end
#
# 78 CYT H2*1 78 CYT H2*2 1.653 3.259 (# 2.09E+008 2.39 1.67 1.740 )
&rst
ixpk= 2, nxpk= 0, iat=1497,1498, r1= 1.15, r2= 1.65, r3= 3.26, r4= 3.76, &end
#
# 85 GUA H2*1 85 GUA H2*2 1.653 3.686 (# 9.97E+007 2.7 1.89 1.740 )
&rst
ixpk= 9, nxpk= 0, iat=1718,1719, r1= 1.15, r2= 1.65, r3= 3.69, r4= 4.19, &end
#
# 86 GUA H2*1 86 GUA H2*2 1.653 3.815 (# 8.12E+007 2.79 1.96 1.740 )
&rst
ixpk= 8, nxpk= 0, iat=1751,1752, r1= 1.15, r2= 1.65, r3= 3.82, r4= 4.32, &end
#
# 77 CYT H2*1 77 CYT H5 1.995 4.278 (# 4.08E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1467,1456, r1= 1.50, r2= 2.00, r3= 4.48, r4= 4.78, &end
#
# 78 CYT H2*1 79 CYT H5 1.995 4.209 (# 4.50E+007 3.08 2.16 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1497,1516, r1= 1.50, r2= 2.00, r3= 4.21, r4= 4.71, &end
#
# 93 GUA H2*1 94 CYT H5 2.291 4.703 (# 2.31E+007 3.45 2.41 2.412 )
&rst
ixpk= 2, nxpk= 0, iat=1977,1996, r1= 1.79, r2= 2.29, r3= 4.70, r4= 5.20, &end
#
# 76 THY H2*1 77 CYT H5 1.995 4.395 (# 3.47E+007 3.22 2.25 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1437,1456, r1= 1.50, r2= 2.00, r3= 4.39, r4= 4.89, &end
#
# 80 CYT H2*1 80 CYT H5 1.995 4.157 (# 6.51E+007 2.9 2.03 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1557,1546, r1= 1.50, r2= 2.00, r3= 4.36, r4= 4.66, &end
#
# 72 CYT H2*1 72 CYT H5 2.342 4.808 (# 2.03E+007 3.52 2.47 2.466 )
&rst
ixpk= 2, nxpk= 0, iat=1309,1298, r1= 1.84, r2= 2.34, r3= 4.81, r4= 5.31, &end
#
# 79 CYT H2*1 80 CYT H6 1.995 3.744 (# 9.08E+007 2.74 1.92 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1527,1544, r1= 1.50, r2= 2.00, r3= 3.74, r4= 4.24, &end
#
# 80 CYT H2*1 80 CYT H6 1.995 3.441 (# 1.51E+008 2.52 1.76 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1557,1544, r1= 1.50, r2= 2.00, r3= 3.44, r4= 3.94, &end
#
# 89 THY H2*1 89 THY H6 1.995 4.307 (# 3.92E+007 3.16 2.21 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1847,1832, r1= 1.50, r2= 2.00, r3= 4.31, r4= 4.81, &end
#
# 88 THY H2*1 88 THY H6 1.995 4.315 (# 3.88E+007 3.16 2.21 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1815,1800, r1= 1.50, r2= 2.00, r3= 4.32, r4= 4.82, &end
#
# 88 THY H2*1 89 THY H6 2.341 4.805 (# 2.03E+007 3.52 2.46 2.464 )
&rst
ixpk= 2, nxpk= 0, iat=1815,1832, r1= 1.84, r2= 2.34, r3= 4.80, r4= 5.30, &end
#
# 90 ADE H2*1 90 ADE H8 1.995 3.796 (# 8.36E+007 2.78 1.95 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1879,1864, r1= 1.50, r2= 2.00, r3= 3.80, r4= 4.30, &end
#
# 82 CYT H2*1 83 GUA H8 1.995 3.724 (# 9.38E+007 2.73 1.91 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1619,1636, r1= 1.50, r2= 2.00, r3= 3.72, r4= 4.22, &end
#
# 89 THY H2*1 90 ADE H8 1.995 4.498 (# 3.02E+007 3.3 2.31 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1847,1864, r1= 1.50, r2= 2.00, r3= 4.50, r4= 5.00, &end
#
# 73 THY H2*1 74 ADE H8 2.669 5.479 (# 9.24E+006 4.01 2.81 2.810 )
&rst
ixpk= 9, nxpk= 0, iat=1341,1358, r1= 2.17, r2= 2.67, r3= 5.48, r4= 5.98, &end
#
# 80 CYT H2*1 81 GUA H8 1.995 4.072 (# 5.49E+007 2.98 2.09 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1557,1574, r1= 1.50, r2= 2.00, r3= 4.07, r4= 4.57, &end
#
# 86 GUA H2*1 87 ADE H8 1.995 3.970 (# 6.39E+007 2.91 2.04 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1751,1768, r1= 1.50, r2= 2.00, r3= 3.97, r4= 4.47, &end
#
# 84 GUA H2*1 85 GUA H8 1.995 3.664 (# 1.03E+008 2.68 1.88 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1685,1702, r1= 1.50, r2= 2.00, r3= 3.66, r4= 4.16, &end
#
# 88 THY H2*1 87 ADE H8 2.908 5.968 (# 5.53E+006 4.37 3.06 3.061 )
# &rst
# ixpk= 5, nxpk= 0, iat=1815,1768, r1= 2.41, r2= 2.91, r3= 6.2, r4= 6.47, &end
#
# 85 GUA H2*1 85 GUA H8 1.995 3.892 (# 7.20E+007 2.85 2 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1718,1702, r1= 1.50, r2= 2.00, r3= 3.89, r4= 4.39, &end
#
# 87 ADE H2*1 87 ADE H8 1.995 3.868 (# 7.47E+007 2.83 1.98 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1783,1768, r1= 1.50, r2= 2.00, r3= 3.87, r4= 4.37, &end
#
# 75 ADE H2*1 75 ADE H8 1.995 4.545 (# 2.84E+007 3.33 2.33 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1405,1390, r1= 1.50, r2= 2.00, r3= 4.55, r4= 5.05, &end
#
# 75 ADE H2*1 76 THY M7 1.995 6 (# 2.72E+007 3.35 2.35 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1405, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 88 THY H2*1 89 THY M7 1.995 6 (# 6.42E+007 2.91 2.03 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1815, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 76 THY H2*1 76 THY M7 2.384 6 (# 1.82E+007 3.59 2.51 2.510 )
&rst
ixpk= 1, nxpk= 0, iat=1437, -1, r1= 1.88, r2= 2.38, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 70 CYT H2*1 71 THY M7 1.995 6 (# 8.45E+007 2.78 1.94 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1247, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 77 CYT H2*2 77 CYT H1* 1.995 3.299 (# 1.94E+008 2.42 1.69 2.400 2.24-2.39 )
&rst
ixpk= 1, nxpk= 0, iat=1468,1451, r1= 1.50, r2= 2.00, r3= 3.30, r4= 3.80, &end
#
# 87 ADE H2*2 88 THY H1* 2.734 5.612 (# 8.01E+006 4.11 2.88 2.878 )
&rst
ixpk= 8, nxpk= 0, iat=1784,1797, r1= 2.23, r2= 2.73, r3= 5.61, r4= 6.11, &end
#
# 86 GUA H2*2 86 GUA H1* 1.995 3.743 (# 9.10E+007 2.74 1.92 2.400 2.24-2.39 )
&rst
ixpk= 9, nxpk= 0, iat=1752,1732, r1= 1.50, r2= 2.00, r3= 3.74, r4= 4.24, &end
#
# 75 ADE H2*2 75 ADE H1* 1.995 4.076 (# 5.45E+007 2.99 2.09 2.400 2.24-2.39 )
&rst
ixpk= 5, nxpk= 0, iat=1406,1387, r1= 1.50, r2= 2.00, r3= 4.08, r4= 4.58, &end
#
# 92 ADE H2*2 92 ADE H1* 1.995 3.466 (# 1.44E+008 2.54 1.78 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1945,1926, r1= 1.50, r2= 2.00, r3= 3.47, r4= 3.97, &end
#
# 78 CYT H2*2 78 CYT H2*1 1.653 3.537 (# 1.28E+008 2.59 1.81 2.400 2.24-2.39 )
&rst
ixpk= 1, nxpk= 0, iat=1498,1497, r1= 1.15, r2= 1.65, r3= 3.54, r4= 4.04, &end
#
# 90 ADE H2*2 90 ADE H3* 1.995 3.513 (# 1.33E+008 2.57 1.8 2.400 2.66-3.06 )
&rst
ixpk= 1, nxpk= 0, iat=1880,1877, r1= 1.50, r2= 2.00, r3= 3.51, r4= 4.01, &end
#
# 70 CYT H2*2 70 CYT H5 2.317 5.00 (# 2.16E+007 3.48 2.44 2.439 )
&rst
ixpk= 2, nxpk= 0, iat=1248,1236, r1= 1.82, r2= 2.32, r3= 5.30, r4= 5.56, &end
#
# 69 GUA H2*2 70 CYT H5 1.995 3.983 (# 6.26E+007 2.92 2.04 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1218,1236, r1= 1.50, r2= 2.00, r3= 3.98, r4= 4.48, &end
#
# 79 CYT H2*2 80 CYT H5 1.995 3.813 (# 8.14E+007 2.79 1.96 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1528,1546, r1= 1.50, r2= 2.00, r3= 3.81, r4= 4.31, &end
#
# 76 THY H2*2 77 CYT H5 1.995 4.320 (# 3.85E+007 3.16 2.22 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1438,1456, r1= 1.50, r2= 2.00, r3= 4.32, r4= 4.82, &end
#
# 79 CYT H2*2 80 CYT H6 1.995 3.797 (# 8.34E+007 2.78 1.95 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1528,1544, r1= 1.50, r2= 2.00, r3= 3.80, r4= 4.30, &end
#
# 87 ADE H2*2 88 THY H6 1.995 4.062 (# 5.57E+007 2.98 2.08 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1784,1800, r1= 1.50, r2= 2.00, r3= 4.06, r4= 4.56, &end
#
# 78 CYT H2*2 78 CYT H6 1.995 3.620 (# 1.11E+008 2.65 1.86 2.400 3.00-4.40 )
&rst
ixpk= 1, nxpk= 0, iat=1498,1484, r1= 1.50, r2= 2.00, r3= 3.62, r4= 4.12, &end
#
# 72 CYT H2*2 73 THY H6 1.995 4.353 (# 3.68E+007 3.19 2.23 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1310,1326, r1= 1.50, r2= 2.00, r3= 4.35, r4= 4.85, &end
#
# 69 GUA H2*2 70 CYT H6 1.995 3.815 (# 8.11E+007 2.79 1.96 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1218,1234, r1= 1.50, r2= 2.00, r3= 3.82, r4= 4.32, &end
#
# 77 CYT H2*2 78 CYT H6 1.995 3.766 (# 8.76E+007 2.76 1.93 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1468,1484, r1= 1.50, r2= 2.00, r3= 3.77, r4= 4.27, &end
#
# 85 GUA H2*2 86 GUA H8 1.995 3.923 (# 6.86E+007 2.87 2.01 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1719,1735, r1= 1.50, r2= 2.00, r3= 3.92, r4= 4.42, &end
#
# 92 ADE H2*2 93 GUA H8 1.995 4.150 (# 4.90E+007 3.04 2.13 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1945,1961, r1= 1.50, r2= 2.00, r3= 4.15, r4= 4.65, &end
#
# 90 ADE H2*2 90 ADE H8 1.995 3.828 (# 7.94E+007 2.8 1.96 2.400 3.20-4.70 )
&rst
ixpk= 7, nxpk= 0, iat=1880,1864, r1= 1.50, r2= 2.00, r3= 3.83, r4= 4.33, &end
#
# 82 CYT H2*2 83 GUA H8 1.995 3.593 (# 1.16E+008 2.63 1.84 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1620,1636, r1= 1.50, r2= 2.00, r3= 3.59, r4= 4.09, &end
#
# 84 GUA H2*2 85 GUA H8 1.995 3.834 (# 7.88E+007 2.81 1.97 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1686,1702, r1= 1.50, r2= 2.00, r3= 3.83, r4= 4.33, &end
#
# 74 ADE H2*2 75 ADE H8 2.510 5.356 (# 1.06E+007 3.92 2.75 2.747 )
&rst
ixpk= 1, nxpk= 0, iat=1374,1390, r1= 2.01, r2= 2.11, r3= 5.36, r4= 5.86, &end
#
# 90 ADE H2*2 91 GUA H8 1.995 4.263 (# 4.17E+007 3.12 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1880,1896, r1= 1.50, r2= 2.00, r3= 4.26, r4= 4.76, &end
#
# 75 ADE H2*2 75 ADE H8 1.995 4.486 (# 3.07E+007 3.29 2.3 2.400 3.20-4.70 )
&rst
ixpk= 3, nxpk= 0, iat=1406,1390, r1= 1.50, r2= 2.00, r3= 4.49, r4= 4.99, &end
#
# 76 THY H2*2 76 THY M7 2.479 6 (# 1.44E+007 3.73 2.61 2.609 )
&rst
ixpk= 1, nxpk= 0, iat=1438, -1, r1= 1.98, r2= 2.48, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 87 ADE H2*2 88 THY M7 1.995 6 (# 7.59E+007 2.83 1.98 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1784, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1803,1804,1805,
&end
#
# 75 ADE H2*2 76 THY M7 1.995 6 (# 4.46E+007 3.09 2.16 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1406, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 76 THY H3 86 GUA H1 2.479 5.088 (# 1.44E+007 3.73 2.61 2.609 )
&rst
ixpk= 1, nxpk= 0, iat=1431,1741, r1= 1.98, r2= 2.48, r3= 5.09, r4= 5.59, &end
#
# 73 THY H3 91 GUA H1 2.995 6.147 (# 4.64E+006 4.5 3.15 3.152 )
&rst
ixpk= 4, nxpk= 0, iat=1335,1902, r1= 2.49, r2= 2.99, r3= 6.15, r4= 6.65, &end
#
# 88 THY H3 75 ADE H2 1.995 3.329 (# 1.84E+008 2.44 1.71 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1809,1399, r1= 1.50, r2= 2.00, r3= 3.33, r4= 3.83, &end
#
# 71 THY H3 92 ADE H2 1.995 4.625 (# 2.56E+007 3.39 2.37 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1273,1938, r1= 1.50, r2= 2.00, r3= 4.62, r4= 5.12, &end
#
# 73 THY H3 90 ADE H2 1.995 4.267 (# 4.15E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1335,1873, r1= 1.50, r2= 2.00, r3= 4.27, r4= 4.77, &end
#
# 73 THY H3 89 THY H3 2.686 5.513 (# 8.91E+006 4.04 2.83 2.827 )
&rst
ixpk= 8, nxpk= 0, iat=1335,1841, r1= 2.19, r2= 2.69, r3= 5.51, r4= 6.01, &end
#
# 88 THY H3 89 THY H3 1.995 4.635 (# 2.52E+007 3.4 2.38 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1809,1841, r1= 1.50, r2= 2.00, r3= 4.64, r4= 5.14, &end
#
# 73 THY H3 72 CYT H5 2.570 5.276 (# 1.16E+007 3.87 2.71 2.706 )
&rst
ixpk= 1, nxpk= 0, iat=1335,1298, r1= 2.07, r2= 2.57, r3= 5.28, r4= 5.78, &end
#
# 76 THY H3 76 THY M7 2.748 6 (# 7.77E+006 4.13 2.89 2.893 )
&rst
ixpk= 7, nxpk= 0, iat=1431, -1, r1= 2.25, r2= 2.75, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 89 THY H3 89 THY M7 2.724 6 (# 8.18E+006 4.1 2.87 2.868 )
&rst
ixpk= 8, nxpk= 0, iat=1841, -1, r1= 2.22, r2= 2.72, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 74 ADE H3* 74 ADE H1* 2.491 5.113 (# 1.40E+007 3.75 2.62 2.622 3.83-4.03 )
&rst
ixpk= 1, nxpk= 0, iat=1371,1355, r1= 1.99, r2= 2.49, r3= 5.11, r4= 5.61, &end
#
# 89 THY H3* 89 THY H6 2.549 5.231 (# 1.22E+007 3.83 2.68 2.683 )
&rst
ixpk= 1, nxpk= 0, iat=1845,1832, r1= 2.05, r2= 2.55, r3= 5.23, r4= 5.73, &end
#
# 88 THY H3* 89 THY H6 2.968 6.093 (# 4.89E+006 4.46 3.12 3.124 )
&rst
ixpk= 4, nxpk= 0, iat=1813,1832, r1= 2.47, r2= 2.97, r3= 6.09, r4= 6.59, &end
#
# 74 ADE H3* 74 ADE H8 2.472 5.074 (# 1.47E+007 3.72 2.6 2.602 )
&rst
ixpk= 1, nxpk= 0, iat=1371,1358, r1= 1.97, r2= 2.47, r3= 5.07, r4= 5.57, &end
#
# 83 GUA H3* 84 GUA H8 1.995 5.232 (##+1 4.35E+007 3.1 2.17 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1650,1669, r1= 1.50, r2= 2.00, r3= 5.23, r4= 5.73, &end
#
# 74 ADE H3* 75 ADE H8 2.654 5.448 (# 9.56E+006 3.99 2.79 2.794 )
&rst
ixpk= 9, nxpk= 0, iat=1371,1390, r1= 2.15, r2= 2.65, r3= 5.45, r4= 5.95, &end
#
# 75 ADE H3* 75 ADE H8 2.326 4.775 (# 2.11E+007 3.5 2.45 2.449 )
&rst
ixpk= 2, nxpk= 0, iat=1403,1390, r1= 1.83, r2= 2.33, r3= 4.78, r4= 5.28, &end
#
# 82 CYT H3* 83 GUA H8 1.995 4.432 (# 3.30E+007 3.25 2.27 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1617,1636, r1= 1.50, r2= 2.00, r3= 4.43, r4= 4.93, &end
#
# 90 ADE H3* 90 ADE H8 1.995 3.835 (# 7.86E+007 2.81 1.97 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1877,1864, r1= 1.50, r2= 2.00, r3= 4.14, r4= 4.34, &end
#
# 93 GUA H4* 94 CYT H6 2.507 5.147 (# 1.35E+007 3.77 2.64 2.639 )
&rst
ixpk= 1, nxpk= 0, iat=1955,1994, r1= 2.01, r2= 2.51, r3= 5.15, r4= 5.65, &end
#
# 70 CYT H41 93 GUA H1 2.383 4.891 (# 1.83E+007 3.58 2.51 2.508 )
&rst
ixpk= 1, nxpk= 0, iat=1239,1967, r1= 1.88, r2= 2.38, r3= 4.89, r4= 5.39, &end
#
# 72 CYT H41 91 GUA H1 2.595 5.326 (# 1.10E+007 3.9 2.73 2.732 )
&rst
ixpk= 1, nxpk= 0, iat=1301,1902, r1= 2.10, r2= 2.60, r3= 5.33, r4= 5.83, &end
#
# 77 CYT H41 77 CYT H42 1.615 4.249 (# 4.25E+007 3.11 2.18 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1459,1460, r1= 1.12, r2= 1.62, r3= 4.25, r4= 4.75, &end
#
# 70 CYT H41 70 CYT H42 1.615 4.028 (# 5.85E+007 2.95 2.07 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1239,1240, r1= 1.12, r2= 1.62, r3= 4.03, r4= 4.53, &end
#
# 79 CYT H41 79 CYT H42 1.615 4.197 (# 4.58E+007 3.07 2.15 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1519,1520, r1= 1.12, r2= 1.62, r3= 4.20, r4= 4.70, &end
#
# 80 CYT H41 80 CYT H42 1.615 4.266 (# 4.15E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1549,1550, r1= 1.12, r2= 1.62, r3= 4.27, r4= 4.77, &end
#
# 72 CYT H41 72 CYT H42 1.615 4.677 (# 2.39E+007 3.43 2.4 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1301,1302, r1= 1.12, r2= 1.62, r3= 4.68, r4= 5.18, &end
#
# 79 CYT H41 79 CYT H5 1.995 3.796 (# 8.36E+007 2.78 1.95 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1519,1516, r1= 1.50, r2= 2.00, r3= 3.80, r4= 4.30, &end
#
# 72 CYT H41 72 CYT H5 1.995 3.858 (# 7.59E+007 2.83 1.98 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1301,1298, r1= 1.50, r2= 2.00, r3= 3.86, r4= 4.36, &end
#
# 72 CYT H41 73 THY M7 2.602 6 (# 1.08E+007 3.91 2.74 2.739 )
&rst
ixpk= 1, nxpk= 0, iat=1301, -1, r1= 2.10, r2= 2.60, r3= 7.21, r4= 7.71,
igr2=1329,1330,1331,
&end
#
# 78 CYT H42 85 GUA H1 1.995 4.368 (# 3.60E+007 3.2 2.24 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1490,1708, r1= 1.50, r2= 2.00, r3= 4.37, r4= 4.87, &end
#
# 70 CYT H42 93 GUA H1 2.583 5.302 (# 1.13E+007 3.88 2.72 2.719 )
&rst
ixpk= 1, nxpk= 0, iat=1240,1967, r1= 2.08, r2= 2.58, r3= 5.30, r4= 5.80, &end
#
# 78 CYT H42 86 GUA H1 2.765 5.676 (# 7.48E+006 4.16 2.91 2.911 )
&rst
ixpk= 7, nxpk= 0, iat=1490,1741, r1= 2.27, r2= 2.77, r3= 5.68, r4= 6.18, &end
#
# 77 CYT H42 86 GUA H1 1.995 4.347 (# 3.71E+007 3.18 2.23 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1460,1741, r1= 1.50, r2= 2.00, r3= 4.35, r4= 4.85, &end
#
# 77 CYT H42 85 GUA H1 2.670 5.481 (# 9.23E+006 4.02 2.81 2.811 )
&rst
ixpk= 9, nxpk= 0, iat=1460,1708, r1= 2.17, r2= 2.67, r3= 5.48, r4= 5.98, &end
#
# 77 CYT H42 77 CYT H41 1.615 4.248 (# 4.25E+007 3.11 2.18 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1460,1459, r1= 1.12, r2= 1.62, r3= 4.25, r4= 4.75, &end
#
# 70 CYT H42 70 CYT H41 1.615 4.014 (# 5.98E+007 2.94 2.06 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1240,1239, r1= 1.12, r2= 1.62, r3= 4.01, r4= 4.51, &end
#
# 79 CYT H42 79 CYT H41 1.615 4.079 (# 5.43E+007 2.99 2.09 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1520,1519, r1= 1.12, r2= 1.62, r3= 4.08, r4= 4.58, &end
#
# 80 CYT H42 80 CYT H41 1.615 4.271 (# 4.12E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1550,1549, r1= 1.12, r2= 1.62, r3= 4.27, r4= 4.77, &end
#
# 72 CYT H42 72 CYT H5 1.995 4.173 (# 4.73E+007 3.06 2.14 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1302,1298, r1= 1.50, r2= 2.00, r3= 4.17, r4= 4.67, &end
#
# 77 CYT H42 77 CYT H5 1.995 4.008 (# 6.04E+007 2.94 2.06 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1460,1456, r1= 1.50, r2= 2.00, r3= 4.01, r4= 4.51, &end
#
# 70 CYT H42 70 CYT H5 1.995 3.991 (# 6.19E+007 2.92 2.05 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1240,1236, r1= 1.50, r2= 2.00, r3= 3.99, r4= 4.49, &end
#
# 80 CYT H42 80 CYT H6 2.562 5.259 (# 1.18E+007 3.85 2.7 2.697 )
&rst
ixpk= 1, nxpk= 0, iat=1550,1544, r1= 2.06, r2= 2.56, r3= 5.26, r4= 5.76, &end
#
# 78 CYT H42 78 CYT H6 2.331 5.200 (# 2.08E+007 3.51 2.45 2.454 )
&rst
ixpk= 2, nxpk= 0, iat=1490,1484, r1= 1.83, r2= 2.33, r3= 5.4, r4= 5.7 &end
#
# 70 CYT H42 71 THY M7 2.719 6 (# 8.28E+006 4.09 2.86 2.862 )
&rst
ixpk= 8, nxpk= 0, iat=1240, -1, r1= 2.22, r2= 2.72, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 72 CYT H42 71 THY M7 2.496 6 (# 1.38E+007 3.75 2.63 2.628 )
&rst
ixpk= 1, nxpk= 0, iat=1302, -1, r1= 2.00, r2= 2.50, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 72 CYT H5 91 GUA H1 2.390 4.905 (# 1.80E+007 3.59 2.52 2.515 )
&rst
ixpk= 1, nxpk= 0, iat=1298,1902, r1= 1.89, r2= 2.39, r3= 4.91, r4= 5.41, &end
#
# 77 CYT H5 85 GUA H1 2.496 5.124 (# 1.38E+007 3.75 2.63 2.628 )
&rst
ixpk= 1, nxpk= 0, iat=1456,1708, r1= 2.00, r2= 2.50, r3= 5.62, r4= 5.82, &end
#
# 78 CYT H5 86 GUA H1 2.577 5.289 (# 1.14E+007 3.87 2.71 2.712 )
&rst
ixpk= 1, nxpk= 0, iat=1486,1741, r1= 2.08, r2= 2.58, r3= 5.59, r4= 5.79, &end
#
# 79 CYT H5 85 GUA H1 2.650 5.439 (# 9.66E+006 3.98 2.79 2.789 )
&rst
ixpk= 9, nxpk= 0, iat=1516,1708, r1= 2.15, r2= 2.65, r3= 5.44, r4= 5.94, &end
#
# 77 CYT H5 86 GUA H1 1.995 4.418 (# 3.36E+007 3.24 2.27 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1456,1741, r1= 1.50, r2= 2.00, r3= 4.62, r4= 4.92, &end
#
# 70 CYT H5 69 GUA H1* 1.995 4.045 (# 5.71E+007 2.96 2.07 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1236,1198, r1= 1.50, r2= 2.00, r3= 4.05, r4= 4.55, &end
#
# 94 CYT H5 93 GUA H1* 2.294 4.709 (# 2.29E+007 3.45 2.41 2.415 )
&rst
ixpk= 2, nxpk= 0, iat=1996,1958, r1= 1.79, r2= 2.29, r3= 4.71, r4= 5.21, &end
#
# 77 CYT H5 87 ADE H2 2.453 5.034 (# 1.54E+007 3.69 2.58 2.582 )
&rst
ixpk= 1, nxpk= 0, iat=1456,1777, r1= 1.95, r2= 2.45, r3= 5.33, r4= 5.53, &end
#
# 77 CYT H5 76 THY H2*1 2.302 4.726 (# 2.25E+007 3.46 2.42 2.424 )
&rst
ixpk= 2, nxpk= 0, iat=1456,1437, r1= 1.80, r2= 2.30, r3= 4.73, r4= 5.23, &end
#
# 77 CYT H5 77 CYT H2*1 1.995 4.289 (# 4.02E+007 3.14 2.2 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1456,1467, r1= 1.50, r2= 2.00, r3= 4.39, r4= 4.79, &end
#
# 79 CYT H5 78 CYT H2*1 1.995 4.342 (# 3.73E+007 3.18 2.23 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1516,1497, r1= 1.50, r2= 2.00, r3= 4.34, r4= 4.84, &end
#
# 72 CYT H5 72 CYT H2*1 2.311 4.744 (# 2.19E+007 3.48 2.43 2.433 )
&rst
ixpk= 2, nxpk= 0, iat=1298,1309, r1= 1.81, r2= 2.31, r3= 4.74, r4= 5.24, &end
#
# 80 CYT H5 80 CYT H2*1 1.995 4.238 (# 4.32E+007 3.1 2.17 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1546,1557, r1= 1.50, r2= 2.00, r3= 4.24, r4= 4.74, &end
#
# 77 CYT H5 76 THY H2*2 1.995 4.179 (# 4.70E+007 3.06 2.14 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1456,1438, r1= 1.50, r2= 2.00, r3= 4.18, r4= 4.68, &end
#
# 70 CYT H5 69 GUA H2*2 1.995 4.026 (# 5.87E+007 2.95 2.06 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1236,1218, r1= 1.50, r2= 2.00, r3= 4.03, r4= 4.53, &end
#
# 78 CYT H5 77 CYT H2*2 1.995 4.246 (# 4.27E+007 3.11 2.18 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1486,1468, r1= 1.50, r2= 2.00, r3= 4.25, r4= 4.75, &end
#
# 70 CYT H5 70 CYT H2*2 2.354 4.832 (# 1.96E+007 3.54 2.48 2.478 )
&rst
ixpk= 1, nxpk= 0, iat=1236,1248, r1= 1.85, r2= 2.35, r3= 5.03, r4= 5.33, &end
#
# 77 CYT H5 76 THY H3 2.607 5.351 (# 1.07E+007 3.92 2.74 2.744 )
&rst
ixpk= 1, nxpk= 0, iat=1456,1431, r1= 2.11, r2= 2.61, r3= 5.35, r4= 5.85, &end
#
# 72 CYT H5 73 THY H3 2.493 5.117 (# 1.39E+007 3.75 2.62 2.624 )
&rst
ixpk= 1, nxpk= 0, iat=1298,1335, r1= 1.99, r2= 2.49, r3= 5.12, r4= 5.62, &end
#
# 72 CYT H5 72 CYT H41 1.995 3.972 (# 6.37E+007 2.91 2.04 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1298,1301, r1= 1.50, r2= 2.00, r3= 3.97, r4= 4.47, &end
#
# 79 CYT H5 79 CYT H41 1.995 3.768 (# 8.74E+007 2.76 1.93 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1516,1519, r1= 1.50, r2= 2.00, r3= 3.77, r4= 4.27, &end
#
# 79 CYT H5 80 CYT H41 2.514 5.160 (# 1.33E+007 3.78 2.65 2.646 )
&rst
ixpk= 1, nxpk= 0, iat=1516,1549, r1= 2.01, r2= 2.51, r3= 5.16, r4= 5.66, &end
#
# 70 CYT H5 70 CYT H42 1.995 3.934 (# 6.75E+007 2.88 2.02 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1236,1240, r1= 1.50, r2= 2.00, r3= 3.93, r4= 4.43, &end
#
# 79 CYT H5 80 CYT H42 2.819 5.786 (# 6.67E+006 4.24 2.97 2.967 )
&rst
ixpk= 6, nxpk= 0, iat=1516,1550, r1= 2.32, r2= 2.82, r3= 5.79, r4= 6.29, &end
#
# 79 CYT H5 79 CYT H42 1.995 3.975 (# 6.34E+007 2.91 2.04 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1516,1520, r1= 1.50, r2= 2.00, r3= 3.97, r4= 4.47, &end
#
# 77 CYT H5 77 CYT H42 1.995 4.138 (# 4.98E+007 3.03 2.12 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1456,1460, r1= 1.50, r2= 2.00, r3= 4.14, r4= 4.64, &end
#
# 77 CYT H5 78 CYT H5 1.995 4.037 (# 5.77E+007 2.96 2.07 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1456,1486, r1= 1.50, r2= 2.00, r3= 4.04, r4= 4.54, &end
#
# 78 CYT H5 77 CYT H5 1.995 4.153 (# 4.88E+007 3.04 2.13 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1486,1456, r1= 1.50, r2= 2.00, r3= 4.15, r4= 4.65, &end
#
# 72 CYT H5 71 THY H6 1.995 4.374 (# 3.57E+007 3.2 2.24 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1298,1264, r1= 1.50, r2= 2.00, r3= 4.37, r4= 4.87, &end
#
# 70 CYT H5 70 CYT H6 1.995 3.331 (# 1.96E+008 2.44 2.4 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1236,1234, r1= 1.50, r2= 2.00, r3= 3.33, r4= 3.83, &end
#
# 70 CYT H5 69 GUA H8 1.995 4.081 (# 5.41E+007 2.99 2.09 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1236,1201, r1= 1.50, r2= 2.00, r3= 4.08, r4= 4.58, &end
#
# 80 CYT H5 81 GUA H8 2.792 5.731 (# 7.06E+006 4.2 2.94 2.939 )
&rst
ixpk= 7, nxpk= 0, iat=1546,1574, r1= 2.29, r2= 2.79, r3= 5.73, r4= 6.23, &end
#
# 72 CYT H5 71 THY M7 1.995 6 (# 4.32E+007 3.1 2.17 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1298, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 72 CYT H5 89 THY M7 2.680 6 (# 9.03E+006 4.03 2.82 2.821 )
&rst
ixpk= 9, nxpk= 0, iat=1298, -1, r1= 2.18, r2= 2.68, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 77 CYT H5 76 THY M7 1.995 6 (# 2.58E+007 3.38 2.37 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1456, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 70 CYT H5 71 THY M7 1.995 6 (# 5.94E+007 2.94 2.06 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1236, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 72 CYT H5 73 THY M7 1.995 6 (# 8.77E+007 2.76 1.93 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1298, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1329,1330,1331,
&end
#
# 82 CYT H5*1 83 GUA H8 2.365 4.854 (# 1.91E+007 3.56 2.49 2.489 )
&rst
ixpk= 1, nxpk= 0, iat=1597,1636, r1= 1.87, r2= 2.37, r3= 4.85, r4= 5.35, &end
#
# 88 THY H6 88 THY H1* 1.995 3.953 (# 6.56E+007 2.9 2.03 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1800,1797, r1= 1.50, r2= 2.00, r3= 3.95, r4= 4.45, &end
#
# 89 THY H6 89 THY H1* 1.995 3.999 (# 6.12E+007 2.93 2.05 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1832,1829, r1= 1.50, r2= 2.00, r3= 4.00, r4= 4.50, &end
#
# 71 THY H6 70 CYT H1* 1.995 3.577 (# 1.19E+008 2.62 1.83 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1264,1231, r1= 1.50, r2= 2.00, r3= 3.58, r4= 4.08, &end
#
# 80 CYT H6 80 CYT H1* 1.995 3.711 (# 9.57E+007 2.72 1.9 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1544,1541, r1= 1.50, r2= 2.00, r3= 3.71, r4= 4.21, &end
#
# 89 THY H6 88 THY H1* 1.995 4.254 (# 4.22E+007 3.12 2.18 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1832,1797, r1= 1.50, r2= 2.00, r3= 4.25, r4= 4.75, &end
#
# 88 THY H6 87 ADE H2 2.435 4.999 (# 1.60E+007 3.66 2.56 2.564 )
&rst
ixpk= 1, nxpk= 0, iat=1800,1777, r1= 1.93, r2= 2.43, r3= 5.50, r4= 5.70, &end
#
# 89 THY H6 89 THY H2*1 1.995 4.256 (# 4.21E+007 3.12 2.18 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1832,1847, r1= 1.50, r2= 2.00, r3= 4.26, r4= 4.76, &end
#
# 80 CYT H6 79 CYT H2*1 1.995 3.859 (# 7.57E+007 2.83 1.98 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1544,1527, r1= 1.50, r2= 2.00, r3= 3.86, r4= 4.36, &end
#
# 88 THY H6 88 THY H2*1 1.995 4.130 (# 5.04E+007 3.03 2.12 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1800,1815, r1= 1.50, r2= 2.00, r3= 4.13, r4= 4.63, &end
#
# 80 CYT H6 80 CYT H2*1 1.995 3.443 (# 1.50E+008 2.52 1.77 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1544,1557, r1= 1.50, r2= 2.00, r3= 3.44, r4= 3.94, &end
#
# 88 THY H6 87 ADE H2*2 1.995 4.101 (# 5.26E+007 3 2.1 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1800,1784, r1= 1.50, r2= 2.00, r3= 4.10, r4= 4.60, &end
#
# 70 CYT H6 70 CYT H41 1.995 5.538 (# 2.86E+007 3.32 2.33 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1234,1239, r1= 1.50, r2= 2.00, r3= 5.54, r4= 6.04, &end
#
# 80 CYT H6 80 CYT H42 2.437 5.200 (# 1.60E+007 3.66 2.56 2.565 )
&rst
ixpk= 1, nxpk= 0, iat=1544,1550, r1= 1.94, r2= 2.44, r3= 5.40, r4= 5.70, &end
#
# 70 CYT H6 70 CYT H5 1.995 3.331 (# 2.14E+008 2.44 2.4 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1234,1236, r1= 1.50, r2= 2.00, r3= 3.33, r4= 3.83, &end
#
# 77 CYT H6 77 CYT H5 1.995 3.331 (# 1.72E+008 2.44 2.4 2.400 Unmodified IPSA C= 2.585E-11)
&rst
ixpk= 1, nxpk= 0, iat=1454,1456, r1= 1.50, r2= 2.00, r3= 3.33, r4= 3.83, &end
#
# 71 THY H6 72 CYT H5 1.995 4.267 (# 4.14E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1264,1298, r1= 1.50, r2= 2.00, r3= 4.27, r4= 4.77, &end
#
# 88 THY H6 89 THY H6 1.995 4.562 (# 2.77E+007 3.34 2.34 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1800,1832, r1= 1.50, r2= 2.00, r3= 4.86, r4= 5.06, &end
#
# 94 CYT H6 93 GUA H8 1.995 4.305 (# 3.93E+007 3.15 2.21 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1994,1961, r1= 1.50, r2= 2.00, r3= 4.50, r4= 4.80, &end
#
# 89 THY H6 90 ADE H8 1.995 4.276 (# 4.09E+007 3.13 2.19 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1832,1864, r1= 1.50, r2= 2.00, r3= 4.58, r4= 4.78, &end
#
# 88 THY H6 87 ADE H8 1.995 4.3 (# 6.18E+007 2.92 2.05 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1800,1768, r1= 1.50, r2= 2.00, r3= 4.3, r4= 4.49, &end
#
# 70 CYT H6 69 GUA H8 1.995 4.067 (# 5.52E+007 2.98 2.09 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1234,1201, r1= 1.50, r2= 2.00, r3= 4.27, r4= 4.57, &end
#
# 80 CYT H6 81 GUA H8 1.995 4.305 (# 3.93E+007 3.15 2.21 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1544,1574, r1= 1.50, r2= 2.00, r3= 4.30, r4= 4.80, &end
#
# 82 CYT H6 83 GUA H8 1.995 4.162 (# 4.81E+007 3.05 2.13 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1606,1636, r1= 1.50, r2= 2.00, r3= 4.16, r4= 4.66, &end
#
# 89 THY H6 89 THY M7 1.995 6 (# 1.47E+008 2.53 1.77 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1832, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 89 THY H6 88 THY M7 2.378 6 (# 1.85E+007 3.58 2.5 2.503 )
&rst
ixpk= 1, nxpk= 0, iat=1832, -1, r1= 1.88, r2= 2.38, r3= 7.21, r4= 7.71,
igr2=1803,1804,1805,
&end
#
# 88 THY H6 89 THY M7 1.995 6 (# 1.13E+008 2.64 1.85 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1800, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 71 THY H6 71 THY M7 1.995 6 (# 1.60E+008 2.5 1.75 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1264, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 72 CYT H6 73 THY M7 1.995 6 (# 7.28E+007 2.85 1.99 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1296, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1329,1330,1331,
&end
#
# 73 THY H6 73 THY M7 1.995 6 (# 1.19E+008 2.62 1.83 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1326, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1329,1330,1331,
&end
#
# 87 ADE H8 86 GUA H1* 1.995 3.695 (# 9.83E+007 2.71 1.89 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1768,1732, r1= 1.50, r2= 2.00, r3= 3.69, r4= 4.19, &end
#
# 81 GUA H8 80 CYT H1* 1.995 3.896 (# 7.16E+007 2.85 2 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1574,1541, r1= 1.50, r2= 2.00, r3= 3.90, r4= 4.40, &end
#
# 92 ADE H8 92 ADE H1* 1.995 3.864 (# 7.52E+007 2.83 1.98 2.400 3.80-3.90 )
&rst
ixpk= 7, nxpk= 0, iat=1929,1926, r1= 1.50, r2= 2.00, r3= 3.86, r4= 4.36, &end
#
# 74 ADE H8 74 ADE H1* 2.412 4.950 (# 1.70E+007 3.63 2.54 2.538 3.80-3.90 )
&rst
ixpk= 1, nxpk= 0, iat=1358,1355, r1= 1.91, r2= 2.41, r3= 4.95, r4= 5.45, &end
#
# 87 ADE H8 87 ADE H1* 1.995 3.754 (# 8.93E+007 2.75 1.93 2.400 3.80-3.90 )
&rst
ixpk= 8, nxpk= 0, iat=1768,1765, r1= 1.50, r2= 2.00, r3= 3.95, r4= 4.25, &end
#
# 83 GUA H8 82 CYT H2*1 1.995 3.792 (# 8.41E+007 2.78 1.94 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1636,1619, r1= 1.50, r2= 2.00, r3= 3.79, r4= 4.29, &end
#
# 87 ADE H8 86 GUA H2*1 1.995 3.857 (# 7.59E+007 2.83 1.98 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1768,1751, r1= 1.50, r2= 2.00, r3= 3.86, r4= 4.36, &end
#
# 74 ADE H8 73 THY H2*1 2.588 5.312 (# 1.11E+007 3.89 2.72 2.724 )
&rst
ixpk= 1, nxpk= 0, iat=1358,1341, r1= 2.09, r2= 2.59, r3= 5.31, r4= 5.81, &end
#
# 83 GUA H8 83 GUA H2*1 1.995 3.279 (# 2.01E+008 2.4 1.68 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1636,1652, r1= 1.50, r2= 2.00, r3= 3.28, r4= 3.78, &end
#
# 85 GUA H8 85 GUA H2*1 1.995 3.816 (# 8.10E+007 2.8 1.96 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1702,1718, r1= 1.50, r2= 2.00, r3= 3.82, r4= 4.32, &end
#
# 90 ADE H8 90 ADE H2*1 1.995 3.707 (# 9.65E+007 2.72 1.9 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1864,1879, r1= 1.50, r2= 2.00, r3= 3.71, r4= 4.21, &end
#
# 87 ADE H8 87 ADE H2*1 1.995 3.737 (# 9.18E+007 2.74 1.92 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1768,1783, r1= 1.50, r2= 2.00, r3= 3.74, r4= 4.24, &end
#
# 81 GUA H8 80 CYT H2*1 1.995 3.901 (# 7.10E+007 2.86 2 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1574,1557, r1= 1.50, r2= 2.00, r3= 3.90, r4= 4.40, &end
#
# 90 ADE H8 89 THY H2*1 1.995 4.507 (# 2.99E+007 3.3 2.31 2.400 )
&rst
ixpk= 2, nxpk= 0, iat=1864,1847, r1= 1.50, r2= 2.00, r3= 4.51, r4= 5.01, &end
#
# 91 GUA H8 90 ADE H2*2 1.995 4.238 (# 4.32E+007 3.1 2.17 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1896,1880, r1= 1.50, r2= 2.00, r3= 4.24, r4= 4.74, &end
#
# 74 ADE H8 74 ADE H2*2 2.658 5.456 (# 9.48E+006 4 2.8 2.798 3.20-4.70 )
&rst
ixpk= 9, nxpk= 0, iat=1358,1374, r1= 2.16, r2= 2.66, r3= 5.46, r4= 5.96, &end
#
# 91 GUA H8 91 GUA H2*2 1.995 4.091 (# 5.34E+007 3 2.1 2.400 3.20-4.70 )
&rst
ixpk= 5, nxpk= 0, iat=1896,1913, r1= 1.50, r2= 2.00, r3= 4.09, r4= 4.59, &end
#
# 86 GUA H8 85 GUA H2*2 1.995 3.843 (# 7.77E+007 2.82 1.97 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1735,1719, r1= 1.50, r2= 2.00, r3= 3.84, r4= 4.34, &end
#
# 90 ADE H8 90 ADE H2*2 1.995 3.770 (# 8.71E+007 2.76 1.93 2.400 3.20-4.70 )
&rst
ixpk= 8, nxpk= 0, iat=1864,1880, r1= 1.50, r2= 2.00, r3= 3.97, r4= 4.27, &end
#
# 83 GUA H8 83 GUA H2*2 1.995 3.390 (# 2.37E+008 2.34 1.64 2.400 3.20-4.70 )
&rst
ixpk= 2, nxpk= 0, iat=1636,1653, r1= 1.50, r2= 2.00, r3= 3.39, r4= 3.89, &end
#
# 87 ADE H8 86 GUA H2*2 1.995 3.873 (# 7.41E+007 2.84 1.99 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1768,1752, r1= 1.50, r2= 2.00, r3= 3.87, r4= 4.37, &end
#
# 83 GUA H8 82 CYT H2*2 1.995 3.475 (# 1.42E+008 2.55 1.78 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1636,1620, r1= 1.50, r2= 2.00, r3= 3.47, r4= 3.97, &end
#
# 85 GUA H8 84 GUA H2*2 1.995 3.767 (# 8.75E+007 2.76 1.93 2.400 )
&rst
ixpk= 8, nxpk= 0, iat=1702,1686, r1= 1.50, r2= 2.00, r3= 3.77, r4= 4.27, &end
#
# 75 ADE H8 74 ADE H3* 2.371 4.866 (# 1.88E+007 3.57 2.5 2.496 )
&rst
ixpk= 1, nxpk= 0, iat=1390,1371, r1= 1.87, r2= 2.37, r3= 4.87, r4= 5.37, &end
#
# 90 ADE H8 90 ADE H3* 1.995 3.942 (# 9.11E+007 2.74 1.92 2.400 )
&rst
ixpk= 9, nxpk= 0, iat=1864,1877, r1= 1.50, r2= 2.00, r3= 3.94, r4= 4.44, &end
#
# 86 GUA H8 86 GUA H3* 1.995 3.982 (# 1.18E+008 2.62 1.84 2.400 )
# &rst
# ixpk= 1, nxpk= 0, iat=1735,1749, r1= 1.50, r2= 2.00, r3= 4.2, r4= 4.48, &end
#
# 83 GUA H8 82 CYT H3* 1.995 3.995 (# 6.15E+007 2.93 2.05 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1636,1617, r1= 1.50, r2= 2.00, r3= 3.99, r4= 4.49, &end
#
# 91 GUA H8 91 GUA H3* 1.995 4.137 (# 6.71E+007 2.88 2.02 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1896,1910, r1= 1.50, r2= 2.00, r3= 4.44, r4= 4.64, &end
#
# 83 GUA H8 83 GUA H3* 1.995 3.461 (# 1.45E+008 2.54 1.78 2.400 )
# &rst
# ixpk= 1, nxpk= 0, iat=1636,1650, r1= 1.50, r2= 2.00, r3= 4.30, r4= 4.50, &end
#
# 74 ADE H8 74 ADE H3* 2.666 5.473 (# 9.30E+006 4.01 2.81 2.807 )
&rst
ixpk= 9, nxpk= 0, iat=1358,1371, r1= 2.17, r2= 2.67, r3= 5.47, r4= 5.97, &end
#
# 69 GUA H8 70 CYT H41 2.389 4.904 (# 1.80E+007 3.59 2.52 2.515 )
&rst
ixpk= 1, nxpk= 0, iat=1201,1239, r1= 1.89, r2= 2.39, r3= 5.10, r4= 5.40, &end
#
# 93 GUA H8 94 CYT H5 1.995 4.122 (# 5.10E+007 3.02 2.11 2.400 )
&rst
ixpk= 5, nxpk= 0, iat=1961,1996, r1= 1.50, r2= 2.00, r3= 4.12, r4= 4.62, &end
#
# 83 GUA H8 82 CYT H5 2.312 4.745 (# 2.19E+007 3.48 2.43 2.433 )
&rst
ixpk= 2, nxpk= 0, iat=1636,1608, r1= 1.81, r2= 2.31, r3= 5.00, r4= 5.24, &end
#
# 69 GUA H8 70 CYT H5 1.995 3.893 (# 7.19E+007 2.85 2 2.400 )
&rst
ixpk= 7, nxpk= 0, iat=1201,1236, r1= 1.50, r2= 2.00, r3= 3.89, r4= 4.39, &end
#
# 81 GUA H8 80 CYT H5 2.358 4.841 (# 1.94E+007 3.55 2.48 2.483 )
&rst
ixpk= 1, nxpk= 0, iat=1574,1546, r1= 1.86, r2= 2.36, r3= 4.84, r4= 5.34, &end
#
# 69 GUA H8 70 CYT H6 1.995 4.005 (# 6.06E+007 2.93 2.05 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1201,1234, r1= 1.50, r2= 2.00, r3= 4.31, r4= 4.51, &end
#
# 90 ADE H8 89 THY H6 1.995 4.349 (# 3.70E+007 3.19 2.23 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1864,1832, r1= 1.50, r2= 2.00, r3= 4.55, r4= 4.85, &end
#
# 87 ADE H8 88 THY H6 1.995 3.974 (# 6.35E+007 2.91 2.04 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1768,1800, r1= 1.50, r2= 2.00, r3= 4.17, r4= 4.47, &end
#
# 81 GUA H8 80 CYT H6 1.995 4.169 (# 4.77E+007 3.05 2.14 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1574,1544, r1= 1.50, r2= 2.00, r3= 4.17, r4= 4.67, &end
#
# 83 GUA H8 82 CYT H6 1.995 3.983 (# 6.26E+007 2.92 2.04 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1636,1606, r1= 1.50, r2= 2.00, r3= 3.98, r4= 4.48, &end
#
# 85 GUA H8 84 GUA H8 1.995 4.377 (# 3.56E+007 3.21 2.24 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1702,1669, r1= 1.50, r2= 2.00, r3= 4.38, r4= 4.88, &end
#
# 84 GUA H8 85 GUA H8 1.995 4.175 (# 4.72E+007 3.06 2.14 2.400 )
&rst
ixpk= 4, nxpk= 0, iat=1669,1702, r1= 1.50, r2= 2.00, r3= 4.18, r4= 4.68, &end
#
# 91 GUA H8 90 ADE H8 1.995 4.352 (# 3.68E+007 3.19 2.23 2.400 )
&rst
ixpk= 3, nxpk= 0, iat=1896,1864, r1= 1.50, r2= 2.00, r3= 4.55, r4= 4.85, &end
#
# 69 GUA H8 71 THY M7 2.616 6 (# 1.04E+007 3.93 2.75 2.754 )
&rst
ixpk= 1, nxpk= 0, iat=1201, -1, r1= 2.12, r2= 2.62, r3= 7.21, r4= 7.71,
igr2=1267,1268,1269,
&end
#
# 87 ADE H8 89 THY M7 2.533 6 (# 1.27E+007 3.81 2.67 2.666 )
&rst
ixpk= 1, nxpk= 0, iat=1768, -1, r1= 2.03, r2= 2.53, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 90 ADE H8 89 THY M7 2.367 6 (# 1.90E+007 3.56 2.49 2.492 )
&rst
ixpk= 1, nxpk= 0, iat=1864, -1, r1= 1.87, r2= 2.37, r3= 7.21, r4= 7.71,
igr2=1835,1836,1837,
&end
#
# 87 ADE H8 88 THY M7 1.995 6 (# 1.61E+008 2.49 1.74 2.400 )
&rst
ixpk= 1, nxpk= 0, iat=1768, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1803,1804,1805,
&end
#
# 75 ADE H8 76 THY M7 1.995 6 (# 6.75E+007 2.88 2.02 2.400 )
&rst
ixpk= 6, nxpk= 0, iat=1390, -1, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr2=1425,1426,1427,
&end
#
# 71 THY M7 91 GUA H1 2.518 6 (# 1.31E+007 3.79 2.65 2.650 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1902, r1= 2.02, r2= 2.52, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 76 THY M7 86 GUA H1 2.550 6 (# 1.22E+007 3.83 2.68 2.684 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1741, r1= 2.05, r2= 2.55, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 71 THY M7 70 CYT H1* 1.995 6 (# 1.12E+008 2.65 1.85 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1231, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 88 THY M7 88 THY H1* 1.995 6 (# 2.97E+007 3.3 2.31 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1797, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 76 THY M7 74 ADE H1* 2.366 6 (# # 1.91E+007 3.56 2.49 2.490 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1355, r1= 1.87, r2= 2.37, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 75 ADE H1* 1.995 6 (# 6.53E+007 2.9 2.03 2.400 )
&rst
ixpk= 6, nxpk= 0, iat= -1,1387, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 76 THY H1* 1.995 6 (# 2.96E+007 3.31 2.31 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1419, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 88 THY M7 87 ADE H1* 1.995 6 (# 8.71E+007 2.76 1.93 2.400 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1765, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 89 THY M7 87 ADE H1* 2.433 6 (# 1.61E+007 3.66 2.56 2.561 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1765, r1= 1.93, r2= 2.43, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 89 THY M7 88 THY H1* 1.995 6 (# # 9.99E+007 2.7 1.89 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1797, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 88 THY M7 86 GUA H1* 2.419 6 (# 1.67E+007 3.64 2.55 2.546 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1732, r1= 1.92, r2= 2.42, r3= 7.21, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 89 THY M7 87 ADE H2 2.654 6 (# 9.57E+006 3.99 2.79 2.794 )
# &rst
# ixpk= 9, nxpk= 0, iat= -1,1777, r1= 2.15, r2= 2.65, r3= 7.51, r4= 7.71,
# igr1=1835,1836,1837,
# &end
#
# 89 THY M7 75 ADE H2 2.397 6 (# 1.76E+007 3.61 2.52 2.524 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1399, r1= 1.90, r2= 2.40, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 88 THY M7 75 ADE H2 2.642 6 (# # 9.84E+006 3.97 2.78 2.781 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1399, r1= 2.14, r2= 2.64, r3= 7.41, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 76 THY M7 75 ADE H2 2.609 6 (# 1.06E+007 3.92 2.75 2.747 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1399, r1= 2.11, r2= 2.61, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 75 ADE H2*1 1.995 6 (# 5.32E+007 3 2.1 2.400 )
&rst
ixpk= 5, nxpk= 0, iat= -1,1405, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 75 ADE H2*2 1.995 6 (# 8.01E+007 2.8 1.96 2.400 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1406, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 76 THY H2*2 1.995 6 (# 4.00E+007 3.14 2.2 2.400 )
&rst
ixpk= 4, nxpk= 0, iat= -1,1438, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 73 THY M7 89 THY H3 2.709 6 (# 8.47E+006 4.07 2.85 2.851 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1841, r1= 2.21, r2= 2.71, r3= 7.51, r4= 7.71,
igr1=1329,1330,1331,
&end
#
# 89 THY M7 89 THY H3 2.317 6 (# 2.16E+007 3.48 2.44 2.439 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1841, r1= 1.82, r2= 2.32, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 89 THY M7 88 THY H3 2.519 6 (# 1.31E+007 3.79 2.65 2.652 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1809, r1= 2.02, r2= 2.52, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 88 THY M7 88 THY H3 2.289 6 (# # 2.32E+007 3.44 2.41 2.410 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1809, r1= 1.79, r2= 2.29, r3= 7.21, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 89 THY M7 73 THY H3 1.995 6 (# 2.39E+007 3.43 2.4 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1335, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 76 THY M7 76 THY H3 2.425 6 (# 1.64E+007 3.65 2.55 2.553 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1431, r1= 1.92, r2= 2.42, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 75 ADE H3* 1.995 6 (# 5.10E+007 3.02 2.11 2.400 )
&rst
ixpk= 5, nxpk= 0, iat= -1,1403, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 76 THY M7 77 CYT H41 2.362 6 (# 1.93E+007 3.55 2.49 2.486 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1459, r1= 1.86, r2= 2.36, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 71 THY M7 72 CYT H42 2.341 6 (# 2.03E+007 3.52 2.46 2.464 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1302, r1= 1.84, r2= 2.34, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 71 THY M7 72 CYT H5 1.995 6 (# 6.78E+007 2.88 2.02 2.400 )
&rst
ixpk= 6, nxpk= 0, iat= -1,1298, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 71 THY M7 70 CYT H5 1.995 6 (# 8.28E+007 2.79 1.95 2.400 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1236, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 73 THY M7 72 CYT H5 1.995 6 (# 1.04E+008 2.68 1.88 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1298, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1329,1330,1331,
&end
#
# 76 THY M7 77 CYT H5 1.995 6 (# 4.48E+007 3.09 2.16 2.400 )
&rst
ixpk= 4, nxpk= 0, iat= -1,1456, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 73 THY M7 72 CYT H6 1.995 6 (# 9.88E+007 2.7 1.89 2.400 )
&rst
ixpk= 9, nxpk= 0, iat= -1,1296, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1329,1330,1331,
&end
#
# 76 THY M7 77 CYT H6 1.995 6 (# 3.15E+007 3.27 2.29 2.400 )
&rst
ixpk= 3, nxpk= 0, iat= -1,1454, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 89 THY M7 88 THY H6 1.995 6 (# 1.40E+008 2.55 1.79 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1800, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 88 THY M7 89 THY H6 2.371 6 (# 1.88E+007 3.56 2.5 2.495 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1832, r1= 1.87, r2= 2.37, r3= 7.21, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 73 THY M7 73 THY H6 1.995 6 (# 1.91E+008 2.42 1.7 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1,1326, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1329,1330,1331,
&end
#
# 71 THY M7 71 THY H6 1.995 6 (# 2.01E+008 2.4 1.68 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1264, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 89 THY M7 89 THY H6 1.995 6 (# # 1.90E+008 2.42 1.7 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1832, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 88 THY M7 87 ADE H8 1.995 6 (# 2.08E+008 2.39 1.67 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1768, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1803,1804,1805,
&end
#
# 76 THY M7 75 ADE H8 1.995 6 (# 8.24E+007 2.79 1.95 2.400 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1390, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1425,1426,1427,
&end
#
# 71 THY M7 69 GUA H8 2.735 6 (# # 7.99E+006 4.11 2.88 2.879 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1201, r1= 2.23, r2= 2.73, r3= 7.21, r4= 7.71,
igr1=1267,1268,1269,
&end
#
# 89 THY M7 90 ADE H8 1.995 6 (# 2.45E+007 3.41 2.39 2.400 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1864, r1= 1.50, r2= 2.00, r3= 7.21, r4= 7.71,
igr1=1835,1836,1837,
&end
#
# 89 THY M7 88 THY M7 1.995 6 (# 1.45E+008 2.54 1.78 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.50, r2= 2.00, r3= 8.65, r4= 9.15,
igr1=1835,1836,1837,
igr2=1803,1804,1805,
&end
#
# 88 THY M7 89 THY M7 1.995 6 (# 1.82E+008 2.44 1.71 2.400 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.50, r2= 2.00, r3= 8.65, r4= 9.15,
igr1=1803,1804,1805,
igr2=1835,1836,1837,
&end
#
# 32 THR QG2 35 GLU- HB2 4.35 (#peak 5 #SUP 0.74 #QF 0.74)
&rst
ixpk= 5, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr1= 527, 528, 529,
&end
#
# 61 ARG+ HB3 61 ARG+ QD 4.04 (#peak 6 #SUP 0.97 #QF 0.97)
&rst
ixpk= 6, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1064,1065,
&end
#
# 5 ARG+ HA 6 GLN QG 3.66 (#peak 8 #SUP 0.66 #QF 0.66)
&rst
ixpk= 8, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 94, 95,
&end
#
# 27 TYR HA 27 TYR QD 4.09 (#peak 22 #SUP 0.83 #QF 0.83)
&rst
ixpk= 22, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 454, 463,
&end
#
# 6 GLN HA 6 GLN QG 3.80 (#peak 23 #SUP 0.98 #QF 0.98)
&rst
ixpk= 23, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 94, 95,
&end
#
# 37 ALA HA 47 VAL QG2 3.84 (#peak 29 #SUP 0.95 #QF 0.95)
&rst
ixpk= 29, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 778, 779, 780,
&end
#
# 60 LYS+ HA 60 LYS+ QD 3.97 (#peak 33 #SUP 0.96 #QF 0.96)
&rst
ixpk= 33, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1042,1043,
&end
#
# 17 GLU- HB3 40 THR QG2 3.94 (#peak 35 #SUP 0.98 #QF 0.98)
&rst
ixpk= 35, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 664, 665, 666,
&end
#
# 36 ILE HA 36 ILE HG13 3.98 (#peak 45 #SUP 0.97 #QF 0.90)
&rst
ixpk= 45, nxpk= 0, iat= 591, 600, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 36 ILE HA 36 ILE HG12 3.98 (#peak 46 #SUP 0.93 #QF 0.93)
&rst
ixpk= 46, nxpk= 0, iat= 591, 599, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 8 THR HA 8 THR QG2 3.62 (#peak 47 #SUP 0.98 #QF 0.98)
&rst
ixpk= 47, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 134, 135, 136,
&end
#
# 66 VAL QG2 68 ASP- HN 5.33 (#peak 50 #SUP 0.47 #QF 0.47)
&rst
ixpk= 50, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1157,1158,1159,
&end
#
# 32 THR QG2 33 ARG+ HA 4.05 (#peak 54 #SUP 0.99 #QF 0.99)
&rst
ixpk= 54, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 527, 528, 529,
&end
#
# 17 GLU- HN 18 LEU HA 5.30 (#peak 59 #SUP 0.90 #QF 0.90)
&rst
ixpk= 59, nxpk= 0, iat= 274, 291, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 60 LYS+ HA 62 GLU- HN 4.57 (#peak 62 #SUP 0.75 #QF 0.75)
&rst
ixpk= 62, nxpk= 0, iat=1034,1078, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 60 LYS+ HA 60 LYS+ QB 3.02 (#peak 63 #SUP 0.96 #QF 0.96)
&rst
ixpk= 63, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1036,1037,
&end
#
# 10 PHE HB3 15 LEU QD1 5.07 (#peak 64 #SUP 0.82 #QF 0.82)
&rst
ixpk= 64, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 247, 248, 249,
&end
#
# 10 PHE HB3 15 LEU QD2 5.07 (#peak 65 #SUP 0.95 #QF 0.95)
&rst
ixpk= 65, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 251, 252, 253,
&end
#
# 65 ILE HA 65 ILE QD1 4.09 (#peak 73 #SUP 0.99 #QF 0.98)
&rst
ixpk= 73, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1141,1142,1143,
&end
#
# 21 THR HN 21 THR QG2 4.17 (#peak 77 #SUP 1.00)
&rst
ixpk= 77, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 339, 340, 341,
&end
#
# 21 THR QG2 51 PHE HZ 3.92 (#peak 79 #SUP 0.85 #QF 0.85)
&rst
ixpk= 79, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 339, 340, 341,
&end
#
# 21 THR QG2 51 PHE QE 3.88 (#peak 80 #SUP 0.91 #QF 0.91)
&rst
ixpk= 80, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 339, 340, 341,
igr2= 858, 862,
&end
#
# 21 THR QG2 25 ASN QB 4.25 (#peak 84 #SUP 0.93 #QF 0.93)
&rst
ixpk= 84, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 339, 340, 341,
igr2= 412, 413,
&end
#
# 21 THR QG2 32 THR QG2 3.70 (#peak 85 #SUP 0.92 #QF 0.62)
&rst
ixpk= 85, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 339, 340, 341,
igr2= 527, 528, 529,
&end
#
# 28 PRO HA 32 THR QG2 3.87 (#peak 95 #SUP 0.94 #QF 0.94)
&rst
ixpk= 95, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 527, 528, 529,
&end
#
# 57 LYS+ HA 60 LYS+ HN 3.77 (#peak 97 #SUP 0.46 #QF 0.46)
&rst
ixpk= 97, nxpk= 0, iat= 964,1032, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 LYS+ HA 60 LYS+ QB 3.15 (#peak 103 #SUP 0.98 #QF 0.92)
&rst
ixpk= 103, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1036,1037,
&end
#
# 35 GLU- HA 38 VAL QG2 3.59 (#peak 105 #SUP 0.99 #QF 0.99)
&rst
ixpk= 105, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 628, 629, 630,
&end
#
# 35 GLU- HA 38 VAL QG1 4.19 (#peak 106 #SUP 1.00)
&rst
ixpk= 106, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 624, 625, 626,
&end
#
# 36 ILE HN 36 ILE HG12 4.17 (#peak 107 #SUP 0.62 #QF 0.62)
&rst
ixpk= 107, nxpk= 0, iat= 589, 599, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 17 GLU- HN 17 GLU- HG3 4.09 (#peak 127 #SUP 0.70 #QF 0.70)
&rst
ixpk= 127, nxpk= 0, iat= 274, 282, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 63 GLU- HA 64 PHE HN 3.49 (#peak 135 #SUP 0.61 #QF 0.61)
&rst
ixpk= 135, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 62 GLU- HA 62 GLU- QG 3.51 (#peak 139 #SUP 0.98 #QF 0.98)
&rst
ixpk= 139, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1085,1086,
&end
#
# 63 GLU- HA 63 GLU- HG3 3.77 (#peak 141 #SUP 0.98 #QF 0.98)
&rst
ixpk= 141, nxpk= 0, iat=1095,1101, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 15 LEU HB2 15 LEU QD1 3.84 (#peak 151 #SUP 0.99 #QF 0.99)
&rst
ixpk= 151, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 247, 248, 249,
&end
#
# 12 SER QB 15 LEU QD1 5.50 (#peak 161 #SUP 0.86 #QF 0.86)
&rst
ixpk= 161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 197, 198,
igr2= 247, 248, 249,
&end
#
# 60 LYS+ HG2 60 LYS+ QE 3.96 (#peak 162 #SUP 1.00)
&rst
ixpk= 162, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1045,1046,
&end
#
# 47 VAL HN 47 VAL QG2 3.29 (#peak 164 #SUP 0.96 #QF 0.96)
&rst
ixpk= 164, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 778, 779, 780,
&end
#
# 47 VAL HA 47 VAL QG2 3.14 (#peak 165 #SUP 0.88 #QF 0.88)
&rst
ixpk= 165, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 778, 779, 780,
&end
#
# 44 GLU- HA 47 VAL QG2 4.07 (#peak 166 #SUP 0.87 #QF 0.87)
&rst
ixpk= 166, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 778, 779, 780,
&end
#
# 15 LEU HB2 15 LEU QD2 3.84 (#peak 167 #SUP 1.00)
&rst
ixpk= 167, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 251, 252, 253,
&end
#
# 15 LEU HB3 15 LEU QD2 3.72 (#peak 169 #SUP 1.00)
&rst
ixpk= 169, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 251, 252, 253,
&end
#
# 18 LEU HA 18 LEU QD1 4.14 (#peak 182 #SUP 0.80 #QF 0.80)
&rst
ixpk= 182, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 298, 299, 300,
&end
#
# 37 ALA HA 40 THR HG1 4.08 (#peak 194 #SUP 0.96 #QF 0.96)
&rst
ixpk= 194, nxpk= 0, iat= 610, 668, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 36 ILE QG2 40 THR HG1 4.37 (#peak 199 #SUP 0.92 #QF 0.92)
&rst
ixpk= 199, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 595, 596, 597,
&end
#
# 21 THR QG2 36 ILE QG2 4.13 (#peak 202 #SUP 0.80 #QF 0.80)
&rst
ixpk= 202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 339, 340, 341,
igr2= 595, 596, 597,
&end
#
# 18 LEU QD1 36 ILE QG2 4.67 (#peak 204 #SUP 0.97 #QF 0.97)
&rst
ixpk= 204, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 298, 299, 300,
igr2= 595, 596, 597,
&end
#
# 36 ILE QG2 51 PHE QE 4.24 (#peak 207 #SUP 0.79 #QF 0.79)
&rst
ixpk= 207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 595, 596, 597,
igr2= 858, 862,
&end
#
# 32 THR HA 32 THR QG2 3.57 (#peak 208 #SUP 0.98 #QF 0.98)
&rst
ixpk= 208, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 527, 528, 529,
&end
#
# 44 GLU- HA 44 GLU- HG2 4.20 (#peak 213 #SUP 0.87 #QF 0.87)
&rst
ixpk= 213, nxpk= 0, iat= 721, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 37 ALA QB 44 GLU- HA 3.93 (#peak 214 #SUP 0.97 #QF 0.97)
&rst
ixpk= 214, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 612, 613, 614,
&end
#
# 44 GLU- HA 47 VAL QG1 4.46 (#peak 215 #SUP 0.82 #QF 0.82)
&rst
ixpk= 215, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 774, 775, 776,
&end
#
# 65 ILE HN 65 ILE HB 3.75 (#peak 232 #SUP 0.56 #QF 0.56)
&rst
ixpk= 232, nxpk= 0, iat=1128,1132, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 36 ILE HB 47 VAL QG1 4.16 (#peak 238 #SUP 0.98 #QF 0.95)
&rst
ixpk= 238, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 774, 775, 776,
&end
#
# 65 ILE HB 65 ILE QD1 3.83 (#peak 239 #SUP 1.00 #QF 0.99)
&rst
ixpk= 239, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1141,1142,1143,
&end
#
# 28 PRO HB2 32 THR QG2 3.70 (#peak 244 #SUP 0.99 #QF 0.79)
&rst
ixpk= 244, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 527, 528, 529,
&end
#
# 28 PRO HB3 32 THR QG2 3.46 (#peak 245 #SUP 1.00)
&rst
ixpk= 245, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 527, 528, 529,
&end
#
# 38 VAL HA 38 VAL QG2 3.22 (#peak 260 #SUP 1.00)
&rst
ixpk= 260, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 628, 629, 630,
&end
#
# 38 VAL HA 38 VAL QG1 3.39 (#peak 261 #SUP 0.99 #QF 0.99)
&rst
ixpk= 261, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 624, 625, 626,
&end
#
# 40 THR QG2 40 THR HG1 3.87 (#peak 262 #SUP 0.99 #QF 0.99)
&rst
ixpk= 262, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 664, 665, 666,
&end
#
# 43 THR HN 43 THR QG2 4.37 (#peak 267 #SUP 0.97 #QF 0.97)
&rst
ixpk= 267, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 711, 712, 713,
&end
#
# 39 TRP HD1 40 THR QG2 4.28 (#peak 268 #SUP 0.80 #QF 0.80)
&rst
ixpk= 268, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 664, 665, 666,
&end
#
# 41 ASN HB3 41 ASN HD22 4.10 (#peak 272 #SUP 0.96 #QF 0.96)
&rst
ixpk= 272, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 57 LYS+ HG2 57 LYS+ QE 3.98 (#peak 293 #SUP 0.96 #QF 0.96)
&rst
ixpk= 293, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 975, 976,
&end
#
# 57 LYS+ HG3 57 LYS+ QE 3.98 (#peak 294 #SUP 0.98 #QF 0.98)
&rst
ixpk= 294, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 975, 976,
&end
#
# 36 ILE HB 36 ILE QD1 3.40 (#peak 296 #SUP 1.00 #QF 0.99)
&rst
ixpk= 296, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 602, 603, 604,
&end
#
# 21 THR QG2 36 ILE QD1 3.49 (#peak 297 #SUP 1.00)
&rst
ixpk= 297, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 339, 340, 341,
igr2= 602, 603, 604,
&end
#
# 36 ILE QD1 37 ALA HN 4.83 (#peak 298 #SUP 0.94 #QF 0.94)
&rst
ixpk= 298, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 602, 603, 604,
&end
#
# 34 GLU- HA 37 ALA QB 3.70 (#peak 299 #SUP 0.96 #QF 0.96)
&rst
ixpk= 299, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 612, 613, 614,
&end
#
# 33 ARG+ HA 36 ILE QG2 4.26 (#peak 301 #SUP 0.56 #QF 0.56)
&rst
ixpk= 301, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 595, 596, 597,
&end
#
# 20 ALA HA 23 GLN HB3 4.51 (#peak 304 #SUP 0.89 #QF 0.89)
&rst
ixpk= 304, nxpk= 0, iat= 325, 372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 30 MET HA 30 MET QG 3.86 (#peak 307 #SUP 0.98 #QF 0.98)
&rst
ixpk= 307, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 500, 501,
&end
#
# 59 ARG+ HA 62 GLU- QB 4.29 (#peak 313 #SUP 0.79 #QF 0.62)
&rst
ixpk= 313, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1082,1083,
&end
#
# 49 VAL HA 49 VAL QG2 3.88 (#peak 314 #SUP 0.97 #QF 0.97)
&rst
ixpk= 314, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 818, 819, 820,
&end
#
# 37 ALA QB 43 THR HA 4.27 (#peak 321 #SUP 0.99 #QF 0.61)
&rst
ixpk= 321, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 612, 613, 614,
&end
#
# 32 THR QG2 36 ILE QD1 3.08 (#peak 323 #SUP 1.00 #QF 0.87)
&rst
ixpk= 323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 527, 528, 529,
igr2= 602, 603, 604,
&end
#
# 33 ARG+ HA 36 ILE QD1 3.91 (#peak 324 #SUP 0.96 #QF 0.96)
&rst
ixpk= 324, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 602, 603, 604,
&end
#
# 36 ILE HA 36 ILE QD1 4.30 (#peak 325 #SUP 0.86 #QF 0.86)
&rst
ixpk= 325, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 602, 603, 604,
&end
#
# 65 ILE HA 65 ILE QG2 3.67 (#peak 327 #SUP 1.00)
&rst
ixpk= 327, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1134,1135,1136,
&end
#
# 60 LYS+ QB 60 LYS+ QD 3.22 (#peak 335 #SUP 0.98 #QF 0.98)
&rst
ixpk= 335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1036,1037,
igr2=1042,1043,
&end
#
# 60 LYS+ HN 60 LYS+ QD 4.27 (#peak 337 #SUP 0.95 #QF 0.95)
&rst
ixpk= 337, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1042,1043,
&end
#
# 36 ILE HA 39 TRP HB2 4.21 (#peak 338 #SUP 0.52 #QF 0.52)
&rst
ixpk= 338, nxpk= 0, iat= 591, 638, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 35 GLU- HN 35 GLU- HG2 3.99 (#peak 345 #SUP 0.99 #QF 0.99)
&rst
ixpk= 345, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 35 GLU- HA 35 GLU- HG3 3.86 (#peak 348 #SUP 0.99 #QF 0.95)
&rst
ixpk= 348, nxpk= 0, iat= 576, 582, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 35 GLU- HA 35 GLU- HG2 3.86 (#peak 349 #SUP 0.95 #QF 0.20)
&rst
ixpk= 349, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 34 GLU- HG3 35 GLU- HA 4.72 (#peak 350 #SUP 0.97 #QF 0.94)
&rst
ixpk= 350, nxpk= 0, iat= 567, 576, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 GLU- QG 65 ILE HN 4.18 (#peak 351 #SUP 0.58 #QF 0.58)
&rst
ixpk= 351, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1085,1086,
&end
#
# 62 GLU- HA 65 ILE HN 4.42 (#peak 358 #SUP 0.94 #QF 0.94)
&rst
ixpk= 358, nxpk= 0, iat=1080,1128, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 PHE HA 64 PHE QD 3.99 (#peak 360 #SUP 0.99 #QF 0.99)
&rst
ixpk= 360, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1116,1124,
&end
#
# 22 PHE HA 22 PHE QD 4.15 (#peak 368 #SUP 1.00)
&rst
ixpk= 368, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 355, 363,
&end
#
# 47 VAL HA 47 VAL QG1 3.99 (#peak 370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 370, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 774, 775, 776,
&end
#
# 62 GLU- QB 65 ILE QD1 4.19 (#peak 372 #SUP 0.99 #QF 0.71)
&rst
ixpk= 372, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1082,1083,
igr2=1141,1142,1143,
&end
#
# 62 GLU- QG 65 ILE QD1 4.63 (#peak 373 #SUP 0.68 #QF 0.68)
&rst
ixpk= 373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1085,1086,
igr2=1141,1142,1143,
&end
#
# 45 ALA QB 46 ARG+ HG2 4.00 (#peak 378 #SUP 0.89 #QF 0.89)
&rst
ixpk= 378, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 738, 739, 740,
&end
#
# 66 VAL QG2 67 THR HN 4.43 (#peak 379 #SUP 0.72 #QF 0.32)
&rst
ixpk= 379, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1157,1158,1159,
&end
#
# 32 THR QG2 36 ILE HN 4.16 (#peak 382 #SUP 0.77 #QF 0.77)
&rst
ixpk= 382, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 527, 528, 529,
&end
#
# 37 ALA QB 47 VAL QG2 3.24 (#peak 384 #SUP 0.99 #QF 0.99)
&rst
ixpk= 384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 612, 613, 614,
igr2= 778, 779, 780,
&end
#
# 36 ILE QG2 39 TRP HD1 3.99 (#peak 386 #SUP 0.87 #QF 0.87)
&rst
ixpk= 386, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 595, 596, 597,
&end
#
# 66 VAL HA 66 VAL QG1 3.77 (#peak 389 #SUP 0.86 #QF 0.86)
&rst
ixpk= 389, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1153,1154,1155,
&end
#
# 32 THR QG2 36 ILE HB 4.29 (#peak 397 #SUP 0.79 #QF 0.79)
&rst
ixpk= 397, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 527, 528, 529,
&end
#
# 49 VAL QG2 50 TRP HN 4.08 (#peak 399 #SUP 0.97 #QF 0.73)
&rst
ixpk= 399, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 818, 819, 820,
&end
#
# 49 VAL HN 49 VAL QG2 4.58 (#peak 400 #SUP 1.00)
&rst
ixpk= 400, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 818, 819, 820,
&end
#
# 18 LEU HN 40 THR QG2 4.39 (#peak 401 #SUP 0.57 #QF 0.57)
&rst
ixpk= 401, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 664, 665, 666,
&end
#
# 39 TRP HB3 40 THR QG2 4.39 (#peak 404 #SUP 0.91 #QF 0.91)
&rst
ixpk= 404, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 664, 665, 666,
&end
#
# 17 GLU- HB2 40 THR QG2 3.94 (#peak 407 #SUP 0.98 #QF 0.98)
&rst
ixpk= 407, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 664, 665, 666,
&end
#
# 40 THR QG2 42 LEU HB2 4.07 (#peak 415 #SUP 0.72 #QF 0.72)
&rst
ixpk= 415, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 664, 665, 666,
&end
#
# 18 LEU QD1 47 VAL QG2 4.68 (#peak 418 #SUP 0.90 #QF 0.90)
&rst
ixpk= 418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 298, 299, 300,
igr2= 778, 779, 780,
&end
#
# 42 LEU HG 46 ARG+ HB3 4.26 (#peak 422 #SUP 0.75 #QF 0.75)
&rst
ixpk= 422, nxpk= 0, iat= 693, 749, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 49 VAL HA 49 VAL QG1 3.88 (#peak 426 #SUP 0.97 #QF 0.97)
&rst
ixpk= 426, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 814, 815, 816,
&end
#
# 60 LYS+ HG3 60 LYS+ QE 3.96 (#peak 429 #SUP 0.98 #QF 0.98)
&rst
ixpk= 429, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1045,1046,
&end
#
# 57 LYS+ HA 57 LYS+ HG2 3.99 (#peak 430 #SUP 1.00)
&rst
ixpk= 430, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 60 LYS+ HN 60 LYS+ HG3 3.99 (#peak 433 #SUP 0.62 #QF 0.62)
&rst
ixpk= 433, nxpk= 0, iat=1032,1040, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 5 ARG+ HN 5 ARG+ QG 4.12 (#peak 439 #SUP 0.58 #QF 0.58)
&rst
ixpk= 439, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 70, 71,
&end
#
# 4 ARG+ HA 4 ARG+ QG 4.01 (#peak 440 #SUP 0.96 #QF 0.96)
&rst
ixpk= 440, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 46, 47,
&end
#
# 24 ARG+ HA 24 ARG+ HG2 3.94 (#peak 443 #SUP 0.99 #QF 0.99)
&rst
ixpk= 443, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 51 PHE HA 54 ARG+ HB2 4.55 (#peak 459 #SUP 0.83 #QF 0.83)
&rst
ixpk= 459, nxpk= 0, iat= 850, 908, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 12 SER QB 15 LEU QD2 5.50 (#peak 462 #SUP 0.82 #QF 0.82)
&rst
ixpk= 462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 197, 198,
igr2= 251, 252, 253,
&end
#
# 67 THR HB 68 ASP- HN 4.00 (#peak 469 #SUP 0.76 #QF 0.76)
&rst
ixpk= 469, nxpk= 0, iat=1167,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 THR HA 35 GLU- HB3 4.49 (#peak 475 #SUP 0.89 #QF 0.89)
&rst
ixpk= 475, nxpk= 0, iat= 523, 579, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 48 ARG+ HA 48 ARG+ HG3 3.90 (#peak 479 #SUP 0.97 #QF 0.97)
&rst
ixpk= 479, nxpk= 0, iat= 786, 792, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 48 ARG+ HA 48 ARG+ HG2 3.90 (#peak 481 #SUP 0.96 #QF 0.96)
&rst
ixpk= 481, nxpk= 0, iat= 786, 791, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 12 SER HA 15 LEU HB3 4.49 (#peak 484 #SUP 0.89 #QF 0.89)
&rst
ixpk= 484, nxpk= 0, iat= 195, 243, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 60 LYS+ QB 62 GLU- HN 5.01 (#peak 490 #SUP 0.99 #QF 0.99)
&rst
ixpk= 490, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1036,1037,
&end
#
# 44 GLU- HA 47 VAL HB 4.73 (#peak 498 #SUP 0.97 #QF 0.56)
&rst
ixpk= 498, nxpk= 0, iat= 721, 772, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 GLU- HA 50 TRP HH2 4.07 (#peak 502 #SUP 0.96 #QF 0.96)
&rst
ixpk= 502, nxpk= 0, iat= 310, 839, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 32 THR HA 35 GLU- HB2 3.49 (#peak 503 #SUP 0.99 #QF 0.79)
&rst
ixpk= 503, nxpk= 0, iat= 523, 578, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 17 GLU- HA 17 GLU- HG2 3.81 (#peak 512 #SUP 0.98 #QF 0.98)
&rst
ixpk= 512, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 17 GLU- HA 17 GLU- HG3 3.81 (#peak 513 #SUP 0.69 #QF 0.69)
&rst
ixpk= 513, nxpk= 0, iat= 276, 282, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 37 ALA HA 40 THR QG2 4.00 (#peak 515 #SUP 0.43 #QF 0.43)
&rst
ixpk= 515, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 664, 665, 666,
&end
#
# 61 ARG+ HB2 61 ARG+ QD 4.04 (#peak 516 #SUP 0.94 #QF 0.94)
&rst
ixpk= 516, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1064,1065,
&end
#
# 53 ASN HA 56 ALA QB 3.75 (#peak 518 #SUP 0.81 #QF 0.81)
&rst
ixpk= 518, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 956, 957, 958,
&end
#
# 24 ARG+ HA 24 ARG+ HG3 3.94 (#peak 519 #SUP 1.00)
&rst
ixpk= 519, nxpk= 0, iat= 386, 392, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 VAL QG1 67 THR HN 4.43 (#peak 524 #SUP 0.67 #QF 0.67)
&rst
ixpk= 524, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1153,1154,1155,
&end
#
# 33 ARG+ HA 36 ILE HB 3.85 (#peak 525 #SUP 0.96 #QF 0.96)
&rst
ixpk= 525, nxpk= 0, iat= 537, 593, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 36 ILE QG2 39 TRP HB2 4.70 (#peak 528 #SUP 0.78 #QF 0.78)
&rst
ixpk= 528, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 595, 596, 597,
&end
#
# 30 MET QE 31 SER QB 4.43 (#peak 529 #SUP 0.92 #QF 0.92)
&rst
ixpk= 529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 504, 505, 506,
igr2= 514, 515,
&end
#
# 4 ARG+ HA 4 ARG+ QD 4.52 (#peak 531 #SUP 0.78 #QF 0.78)
&rst
ixpk= 531, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 49, 50,
&end
#
# 33 ARG+ HA 47 VAL QG1 3.87 (#peak 532 #SUP 0.96 #QF 0.83)
&rst
ixpk= 532, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 774, 775, 776,
&end
#
# 47 VAL QG1 51 PHE QE 3.89 (#peak 536 #SUP 0.79 #QF 0.79)
&rst
ixpk= 536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 774, 775, 776,
igr2= 858, 862,
&end
#
# 47 VAL QG1 51 PHE QD 4.06 (#peak 537 #SUP 0.47 #QF 0.47)
&rst
ixpk= 537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 774, 775, 776,
igr2= 856, 864,
&end
#
# 37 ALA HN 38 VAL QG2 4.57 (#peak 539 #SUP 0.97 #QF 0.97)
&rst
ixpk= 539, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 628, 629, 630,
&end
#
# 46 ARG+ HB3 47 VAL QG2 4.49 (#peak 541 #SUP 0.92 #QF 0.92)
&rst
ixpk= 541, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 778, 779, 780,
&end
#
# 42 LEU HB2 47 VAL QG2 3.80 (#peak 542 #SUP 0.81 #QF 0.81)
&rst
ixpk= 542, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 778, 779, 780,
&end
#
# 10 PHE QD 42 LEU HG 4.97 (#peak 544 #SUP 0.81 #QF 0.81)
&rst
ixpk= 544, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 167, 175,
&end
#
# 64 PHE QE 65 ILE QD1 4.49 (#peak 545 #SUP 0.41 #QF 0.41)
&rst
ixpk= 545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1118,1122,
igr2=1141,1142,1143,
&end
#
# 24 ARG+ HA 24 ARG+ QD 4.84 (#peak 546 #SUP 0.89 #QF 0.89)
&rst
ixpk= 546, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 394, 395,
&end
#
# 65 ILE HN 65 ILE QD1 4.81 (#peak 547 #SUP 0.93 #QF 0.93)
&rst
ixpk= 547, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1141,1142,1143,
&end
#
# 64 PHE QD 65 ILE HA 4.70 (#peak 550 #SUP 0.80 #QF 0.80)
&rst
ixpk= 550, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1116,1124,
&end
#
# 65 ILE HB 66 VAL HN 4.53 (#peak 555 #SUP 0.89 #QF 0.89)
&rst
ixpk= 555, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 56 ALA QB 57 LYS+ HA 4.80 (#peak 568 #SUP 0.98 #QF 0.98)
&rst
ixpk= 568, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 956, 957, 958,
&end
#
# 21 THR HA 51 PHE HZ 5.17 (#peak 571 #SUP 0.67 #QF 0.67)
&rst
ixpk= 571, nxpk= 0, iat= 335, 860, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 10 PHE HB2 15 LEU QD2 5.07 (#peak 578 #SUP 0.95 #QF 0.95)
&rst
ixpk= 578, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 251, 252, 253,
&end
#
# 15 LEU HA 15 LEU QD2 4.05 (#peak 579 #SUP 1.00)
&rst
ixpk= 579, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 251, 252, 253,
&end
#
# 60 LYS+ HN 60 LYS+ QE 4.84 (#peak 584 #SUP 0.99 #QF 0.99)
&rst
ixpk= 584, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1045,1046,
&end
#
# 10 PHE HB2 15 LEU QD1 5.07 (#peak 587 #SUP 0.99 #QF 0.99)
&rst
ixpk= 587, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 247, 248, 249,
&end
#
# 50 TRP HE3 51 PHE HA 4.28 (#peak 595 #SUP 0.72 #QF 0.72)
&rst
ixpk= 595, nxpk= 0, iat= 843, 850, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 62 GLU- QB 64 PHE QB 5.05 (#peak 600 #SUP 0.68 #QF 0.68)
&rst
ixpk= 600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1082,1083,
igr2=1112,1113,
&end
#
# 43 THR QG2 46 ARG+ HG2 4.58 (#peak 605 #SUP 0.66 #QF 0.66)
&rst
ixpk= 605, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 711, 712, 713,
&end
#
# 20 ALA HA 23 GLN HB2 4.51 (#peak 609 #SUP 0.93 #QF 0.93)
&rst
ixpk= 609, nxpk= 0, iat= 325, 371, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 18 LEU QD2 36 ILE QG2 4.67 (#peak 620 #SUP 0.98 #QF 0.98)
&rst
ixpk= 620, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 302, 303, 304,
igr2= 595, 596, 597,
&end
#
# 35 GLU- HN 35 GLU- HB3 3.57 (#peak 629 #SUP 0.98 #QF 0.98)
&rst
ixpk= 629, nxpk= 0, iat= 574, 579, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 18 LEU HA 18 LEU QD2 4.14 (#peak 631 #SUP 0.97 #QF 0.97)
&rst
ixpk= 631, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 302, 303, 304,
&end
#
# 40 THR HA 40 THR QG2 3.34 (#peak 632 #SUP 1.00)
&rst
ixpk= 632, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 664, 665, 666,
&end
#
# 61 ARG+ HA 61 ARG+ QG 3.36 (#peak 634 #SUP 0.99 #QF 0.99)
&rst
ixpk= 634, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1061,1062,
&end
#
# 13 GLN HA 13 GLN QG 3.38 (#peak 637 #SUP 0.94 #QF 0.94)
&rst
ixpk= 637, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 211, 212,
&end
#
# 18 LEU QD2 47 VAL QG2 4.68 (#peak 639 #SUP 0.96 #QF 0.96)
&rst
ixpk= 639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 302, 303, 304,
igr2= 778, 779, 780,
&end
#
# 36 ILE HA 36 ILE QG2 3.55 (#peak 644 #SUP 0.92 #QF 0.92)
&rst
ixpk= 644, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 595, 596, 597,
&end
#
# 35 GLU- HA 38 VAL HB 3.84 (#peak 645 #SUP 0.98 #QF 0.98)
&rst
ixpk= 645, nxpk= 0, iat= 576, 622, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 22 PHE HA 51 PHE QE 3.79 (#peak 647 #SUP 0.84 #QF 0.84)
&rst
ixpk= 647, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 858, 862,
&end
#
# 61 ARG+ HA 61 ARG+ QD 4.23 (#peak 648 #SUP 0.95 #QF 0.95)
&rst
ixpk= 648, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1064,1065,
&end
#
# 44 GLU- HA 44 GLU- HG3 4.20 (#peak 654 #SUP 0.99 #QF 0.99)
&rst
ixpk= 654, nxpk= 0, iat= 721, 727, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 8 THR QG2 10 PHE QE 4.00 (#peak 659 #SUP 0.43 #QF 0.43)
&rst
ixpk= 659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 134, 135, 136,
igr2= 169, 173,
&end
#
# 8 THR QG2 10 PHE QD 4.15 (#peak 660 #SUP 0.77 #QF 0.77)
&rst
ixpk= 660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 134, 135, 136,
igr2= 167, 175,
&end
#
# 11 THR HA 11 THR QG2 3.51 (#peak 664 #SUP 0.99 #QF 0.99)
&rst
ixpk= 664, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 185, 186, 187,
&end
#
# 38 VAL QG1 39 TRP HA 4.12 (#peak 669 #SUP 0.96 #QF 0.96)
&rst
ixpk= 669, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 624, 625, 626,
&end
#
# 39 TRP HA 40 THR QG2 5.43 (#peak 670 #SUP 0.61 #QF 0.61)
&rst
ixpk= 670, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 664, 665, 666,
&end
#
# 39 TRP HA 39 TRP HD1 4.88 (#peak 671 #SUP 0.98 #QF 0.98)
&rst
ixpk= 671, nxpk= 0, iat= 636, 642, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 39 TRP HA 39 TRP HE3 4.32 (#peak 672 #SUP 0.80 #QF 0.80)
&rst
ixpk= 672, nxpk= 0, iat= 636, 653, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 58 TRP HA 62 GLU- QG 4.15 (#peak 676 #SUP 0.47 #QF 0.47)
&rst
ixpk= 676, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1085,1086,
&end
#
# 66 VAL HA 66 VAL QG2 3.77 (#peak 679 #SUP 1.00 #QF 0.99)
&rst
ixpk= 679, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1157,1158,1159,
&end
#
# 12 SER HA 15 LEU HB2 4.07 (#peak 680 #SUP 0.98 #QF 0.98)
&rst
ixpk= 680, nxpk= 0, iat= 195, 242, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 12 SER QB 15 LEU HB2 4.68 (#peak 685 #SUP 0.97 #QF 0.97)
&rst
ixpk= 685, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 197, 198,
&end
#
# 14 GLN HA 40 THR QG2 3.63 (#peak 694 #SUP 0.88 #QF 0.88)
&rst
ixpk= 694, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 664, 665, 666,
&end
#
# 15 LEU HA 15 LEU QD1 4.05 (#peak 698 #SUP 0.98 #QF 0.98)
&rst
ixpk= 698, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 247, 248, 249,
&end
#
# 15 LEU HA 18 LEU HG 4.86 (#peak 700 #SUP 1.00)
&rst
ixpk= 700, nxpk= 0, iat= 240, 296, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 15 LEU HB3 15 LEU QD1 3.72 (#peak 701 #SUP 0.98 #QF 0.98)
&rst
ixpk= 701, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 247, 248, 249,
&end
#
# 6 GLN HN 6 GLN QG 3.51 (#peak 711 #SUP 0.99 #QF 0.22)
&rst
ixpk= 711, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 94, 95,
&end
#
# 16 GLN HN 16 GLN HG2 4.07 (#peak 712 #SUP 0.86 #QF 0.86)
&rst
ixpk= 712, nxpk= 0, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 16 GLN HN 16 GLN HG3 4.07 (#peak 713 #SUP 0.88 #QF 0.88)
&rst
ixpk= 713, nxpk= 0, iat= 257, 265, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 GLU- HA 40 THR QG2 4.70 (#peak 717 #SUP 0.99 #QF 0.99)
&rst
ixpk= 717, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 664, 665, 666,
&end
#
# 17 GLU- HA 20 ALA QB 3.35 (#peak 718 #SUP 0.91 #QF 0.91)
&rst
ixpk= 718, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 327, 328, 329,
&end
#
# 17 GLU- HA 20 ALA HN 4.03 (#peak 719 #SUP 0.96 #QF 0.94)
&rst
ixpk= 719, nxpk= 0, iat= 276, 323, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 62 GLU- HN 62 GLU- QB 3.62 (#peak 720 #SUP 0.76 #QF 0.76)
&rst
ixpk= 720, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1082,1083,
&end
#
# 62 GLU- QB 62 GLU- QG 2.64 (#peak 721 #SUP 0.88 #QF 0.88)
&rst
ixpk= 721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1082,1083,
igr2=1085,1086,
&end
#
# 62 GLU- QB 65 ILE QG2 5.29 (#peak 722 #SUP 1.00)
&rst
ixpk= 722, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1082,1083,
igr2=1134,1135,1136,
&end
#
# 18 LEU HA 18 LEU HG 3.98 (#peak 726 #SUP 0.95 #QF 0.95)
&rst
ixpk= 726, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 46 ARG+ HA 46 ARG+ HG3 4.19 (#peak 731 #SUP 0.92 #QF 0.92)
&rst
ixpk= 731, nxpk= 0, iat= 746, 752, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 21 THR HA 21 THR QG2 3.56 (#peak 733 #SUP 0.96 #QF 0.96)
&rst
ixpk= 733, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 339, 340, 341,
&end
#
# 21 THR HA 24 ARG+ QD 4.58 (#peak 734 #SUP 0.90 #QF 0.90)
&rst
ixpk= 734, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 394, 395,
&end
#
# 21 THR HB 36 ILE QD1 4.59 (#peak 737 #SUP 0.97 #QF 0.97)
&rst
ixpk= 737, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 602, 603, 604,
&end
#
# 36 ILE QG2 40 THR HA 5.50 (#peak 742 #SUP 0.96 #QF 0.96)
&rst
ixpk= 742, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 595, 596, 597,
&end
#
# 37 ALA QB 46 ARG+ HB2 3.92 (#peak 743 #SUP 0.64 #QF 0.64)
&rst
ixpk= 743, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 612, 613, 614,
&end
#
# 37 ALA QB 47 VAL HN 4.23 (#peak 744 #SUP 0.89 #QF 0.89)
&rst
ixpk= 744, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 612, 613, 614,
&end
#
# 36 ILE HN 37 ALA QB 4.39 (#peak 745 #SUP 0.83 #QF 0.83)
&rst
ixpk= 745, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 612, 613, 614,
&end
#
# 37 ALA QB 44 GLU- HN 4.69 (#peak 746 #SUP 0.97 #QF 0.97)
&rst
ixpk= 746, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 612, 613, 614,
&end
#
# 65 ILE QG2 66 VAL HA 4.55 (#peak 753 #SUP 0.97 #QF 0.97)
&rst
ixpk= 753, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1134,1135,1136,
&end
#
# 12 SER QB 13 GLN HN 4.18 (#peak 755 #SUP 0.53 #QF 0.53)
&rst
ixpk= 755, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 197, 198,
&end
#
# 11 THR HA 13 GLN HN 4.08 (#peak 760 #SUP 0.67 #QF 0.67)
&rst
ixpk= 760, nxpk= 0, iat= 181, 204, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 58 TRP HA 58 TRP HD1 4.99 (#peak 761 #SUP 0.68 #QF 0.68)
&rst
ixpk= 761, nxpk= 0, iat= 986, 992, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 58 TRP HA 60 LYS+ HN 5.39 (#peak 762 #SUP 0.62 #QF 0.24)
&rst
ixpk= 762, nxpk= 0, iat= 986,1032, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 13 GLN HA 16 GLN HN 4.36 (#peak 764 #SUP 0.86 #QF 0.86)
&rst
ixpk= 764, nxpk= 0, iat= 206, 257, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 57 LYS+ HA 60 LYS+ QD 4.66 (#peak 769 #SUP 0.98 #QF 0.97)
&rst
ixpk= 769, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1042,1043,
&end
#
# 57 LYS+ HA 57 LYS+ HG3 3.99 (#peak 770 #SUP 0.84 #QF 0.84)
&rst
ixpk= 770, nxpk= 0, iat= 964, 970, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 GLN QG 14 GLN HA 3.98 (#peak 772 #SUP 0.83 #QF 0.83)
&rst
ixpk= 772, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 211, 212,
&end
#
# 15 LEU HB3 16 GLN HA 4.73 (#peak 775 #SUP 0.93 #QF 0.51)
&rst
ixpk= 775, nxpk= 0, iat= 243, 259, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 16 GLN HA 20 ALA QB 4.95 (#peak 775 #SUP 0.93 #QF 0.51)
&rst
ixpk= 775, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 327, 328, 329,
&end
#
# 18 LEU HA 36 ILE QG2 4.61 (#peak 779 #SUP 0.91 #QF 0.91)
&rst
ixpk= 779, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 595, 596, 597,
&end
#
# 18 LEU HA 20 ALA QB 5.12 (#peak 780 #SUP 0.86 #QF 0.86)
&rst
ixpk= 780, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 327, 328, 329,
&end
#
# 19 GLU- HA 22 PHE HN 4.28 (#peak 783 #SUP 0.86 #QF 0.86)
&rst
ixpk= 783, nxpk= 0, iat= 310, 347, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 19 GLU- HA 50 TRP HZ2 4.17 (#peak 784 #SUP 0.94 #QF 0.94)
&rst
ixpk= 784, nxpk= 0, iat= 310, 837, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 21 THR HA 25 ASN HN 4.44 (#peak 787 #SUP 0.94 #QF 0.94)
&rst
ixpk= 787, nxpk= 0, iat= 335, 408, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 25 ASN HA 26 ARG+ HA 4.67 (#peak 795 #SUP 0.80 #QF 0.80)
&rst
ixpk= 795, nxpk= 0, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 32 THR HA 35 GLU- HN 5.31 (#peak 799 #SUP 0.95 #QF 0.95)
&rst
ixpk= 799, nxpk= 0, iat= 523, 574, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 34 GLU- HG2 35 GLU- HA 4.72 (#peak 802 #SUP 0.75 #QF 0.68)
&rst
ixpk= 802, nxpk= 0, iat= 566, 576, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 35 GLU- HA 36 ILE HA 5.10 (#peak 804 #SUP 0.87 #QF 0.87)
&rst
ixpk= 804, nxpk= 0, iat= 576, 591, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 ILE HA 39 TRP HD1 4.41 (#peak 805 #SUP 0.63 #QF 0.63)
&rst
ixpk= 805, nxpk= 0, iat= 591, 642, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 37 ALA HA 42 LEU HB2 4.04 (#peak 806 #SUP 0.95 #QF 0.72)
&rst
ixpk= 806, nxpk= 0, iat= 610, 690, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 38 VAL HA 39 TRP HA 5.20 (#peak 808 #SUP 0.98 #QF 0.98)
&rst
ixpk= 808, nxpk= 0, iat= 620, 636, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 37 ALA QB 38 VAL HA 4.77 (#peak 809 #SUP 0.94 #QF 0.94)
&rst
ixpk= 809, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 612, 613, 614,
&end
#
# 42 LEU HA 42 LEU HG 3.59 (#peak 811 #SUP 1.00)
&rst
ixpk= 811, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 42 LEU HA 42 LEU QD2 3.92 (#peak 812 #SUP 0.94 #QF 0.94)
&rst
ixpk= 812, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 699, 700, 701,
&end
#
# 42 LEU HA 42 LEU QD1 3.92 (#peak 814 #SUP 0.97 #QF 0.97)
&rst
ixpk= 814, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 695, 696, 697,
&end
#
# 34 GLU- HA 44 GLU- HA 4.08 (#peak 819 #SUP 0.66 #QF 0.66)
&rst
ixpk= 819, nxpk= 0, iat= 561, 721, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 49 VAL HA 52 LYS+ HB3 4.94 (#peak 823 #SUP 0.41 #QF 0.41)
&rst
ixpk= 823, nxpk= 0, iat= 810, 873, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 PHE HA 54 ARG+ HN 5.29 (#peak 824 #SUP 0.80 #QF 0.80)
&rst
ixpk= 824, nxpk= 0, iat= 850, 904, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 51 PHE HA 54 ARG+ HB3 4.55 (#peak 825 #SUP 0.59 #QF 0.59)
&rst
ixpk= 825, nxpk= 0, iat= 850, 909, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 62 GLU- HA 65 ILE QD1 5.50 (#peak 828 #SUP 0.96 #QF 0.76)
&rst
ixpk= 828, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1141,1142,1143,
&end
#
# 63 GLU- HA 64 PHE HA 5.14 (#peak 830 #SUP 0.80 #QF 0.80)
&rst
ixpk= 830, nxpk= 0, iat=1095,1110, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 62 GLU- QB 64 PHE HA 4.95 (#peak 831 #SUP 0.98 #QF 0.98)
&rst
ixpk= 831, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1082,1083,
&end
#
# 65 ILE HA 66 VAL HB 5.10 (#peak 832 #SUP 0.69 #QF 0.69)
&rst
ixpk= 832, nxpk= 0, iat=1130,1151, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 3 GLN HB3 3 GLN QG 2.98 (#peak 862 #SUP 0.91 #QF 0.68)
&rst
ixpk= 862, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 29, 30,
&end
#
# 6 GLN QB 6 GLN QG 3.01 (#peak 862 #SUP 0.91 #QF 0.68)
&rst
ixpk= 862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 91, 92,
igr2= 94, 95,
&end
#
# 3 GLN HB2 3 GLN QG 2.98 (#peak 865 #SUP 0.95 #QF 0.93)
&rst
ixpk= 865, nxpk= 0, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 29, 30,
&end
#
# 60 LYS+ QB 60 LYS+ QE 4.31 (#peak 873 #SUP 0.99 #QF 0.99)
&rst
ixpk= 873, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1036,1037,
igr2=1045,1046,
&end
#
# 24 ARG+ HB2 24 ARG+ QD 3.04 (#peak 880 #SUP 0.85 #QF 0.85)
&rst
ixpk= 880, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 394, 395,
&end
#
# 63 GLU- HA 63 GLU- HG2 3.77 (#peak 886 #SUP 0.95 #QF 0.95)
&rst
ixpk= 886, nxpk= 0, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 46 ARG+ HA 46 ARG+ HG2 3.68 (#peak 887 #SUP 0.90 #QF 0.90)
&rst
ixpk= 887, nxpk= 0, iat= 746, 751, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 57 LYS+ QE 60 LYS+ QB 5.50 (#peak 896 #SUP 0.99 #QF 0.99)
&rst
ixpk= 896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 975, 976,
igr2=1036,1037,
&end
#
# 56 ALA QB 60 LYS+ QE 4.56 (#peak 903 #SUP 0.32 #QF 0.32)
&rst
ixpk= 903, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 956, 957, 958,
igr2=1045,1046,
&end
#
# 33 ARG+ QG 47 VAL QG1 4.77 (#peak 905 #SUP 0.87 #QF 0.36)
&rst
ixpk= 905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 542, 543,
igr2= 774, 775, 776,
&end
#
# 28 PRO HB3 33 ARG+ QG 4.73 (#peak 907 #SUP 0.64 #QF 0.64)
&rst
ixpk= 907, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 542, 543,
&end
#
# 56 ALA QB 60 LYS+ QB 4.94 (#peak 915 #SUP 0.97 #QF 0.35)
&rst
ixpk= 915, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 956, 957, 958,
igr2=1036,1037,
&end
#
# 42 LEU HB3 43 THR HN 3.32 (#peak 6 #SUP 0.98 #QF 0.98)
&rst
ixpk= 6, nxpk= 0, iat= 691, 705, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 22 PHE HN 50 TRP HZ3 4.34 (#peak 16 #SUP 0.70 #QF 0.70)
&rst
ixpk= 16, nxpk= 0, iat= 347, 841, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 54 ARG+ HN 54 ARG+ HB2 3.68 (#peak 28 #SUP 0.97 #QF 0.97)
&rst
ixpk= 28, nxpk= 0, iat= 904, 908, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 THR HN 40 THR HG1 3.51 (#peak 30 #SUP 0.97 #QF 0.97)
&rst
ixpk= 30, nxpk= 0, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 28 PRO HA 29 ASP- HN 2.95 (#peak 40 #SUP 0.93 #QF 0.93)
&rst
ixpk= 40, nxpk= 0, iat= 477, 481, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 29 ASP- HN 29 ASP- HB2 3.77 (#peak 42 #SUP 0.98 #QF 0.98)
&rst
ixpk= 42, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 29 ASP- HN 29 ASP- HB3 3.77 (#peak 43 #SUP 0.96 #QF 0.96)
&rst
ixpk= 43, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 28 PRO HB2 29 ASP- HN 4.16 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat= 474, 481, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 6 GLN HA 7 ARG+ HN 3.51 (#peak 47 #SUP 1.00 #QF 0.22)
&rst
ixpk= 47, nxpk= 0, iat= 89, 104, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 43 THR HA 44 GLU- HN 3.29 (#peak 52 #SUP 0.94 #QF 0.91)
&rst
ixpk= 52, nxpk= 0, iat= 707, 719, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 3 GLN HA 4 ARG+ HN 3.08 (#peak 57 #SUP 0.67 #QF 0.67)
&rst
ixpk= 57, nxpk= 0, iat= 24, 39, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 46 ARG+ HA 50 TRP HN 4.53 (#peak 75 #SUP 0.86 #QF 0.86)
&rst
ixpk= 75, nxpk= 0, iat= 746, 824, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 47 VAL HA 50 TRP HN 4.07 (#peak 76 #SUP 0.91 #QF 0.91)
&rst
ixpk= 76, nxpk= 0, iat= 770, 824, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 52 LYS+ HB2 56 ALA HN 5.01 (#peak 87 #SUP 0.89 #QF 0.89)
&rst
ixpk= 87, nxpk= 0, iat= 872, 952, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 48 ARG+ HN 49 VAL HN 3.85 (#peak 90 #SUP 0.99 #QF 0.99)
&rst
ixpk= 90, nxpk= 0, iat= 784, 808, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 45 ALA HA 48 ARG+ HN 4.00 (#peak 92 #SUP 0.75 #QF 0.75)
&rst
ixpk= 92, nxpk= 0, iat= 736, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 GLU- HA 48 ARG+ HN 4.39 (#peak 94 #SUP 0.95 #QF 0.95)
&rst
ixpk= 94, nxpk= 0, iat= 721, 784, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 47 VAL HB 48 ARG+ HN 3.70 (#peak 95 #SUP 0.99 #QF 0.21)
&rst
ixpk= 95, nxpk= 0, iat= 772, 784, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 52 LYS+ HN 52 LYS+ HB3 3.56 (#peak 110 #SUP 0.99 #QF 0.99)
&rst
ixpk= 110, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 58 TRP HN 58 TRP HD1 5.50 (#peak 111 #SUP 0.96 #QF 0.96)
&rst
ixpk= 111, nxpk= 0, iat= 984, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 LYS+ HB2 58 TRP HN 3.85 (#peak 113 #SUP 0.93 #QF 0.93)
&rst
ixpk= 113, nxpk= 0, iat= 966, 984, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 33 ARG+ HN 33 ARG+ QG 3.96 (#peak 134 #SUP 0.93 #QF 0.93)
&rst
ixpk= 134, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 542, 543,
&end
#
# 39 TRP HN 39 TRP HD1 4.32 (#peak 147 #SUP 0.98 #QF 0.98)
&rst
ixpk= 147, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 42 LEU HN 42 LEU QD2 4.03 (#peak 162 #SUP 1.00)
&rst
ixpk= 162, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 699, 700, 701,
&end
#
# 54 ARG+ HB3 55 ARG+ HN 3.95 (#peak 163 #SUP 0.99 #QF 0.99)
&rst
ixpk= 163, nxpk= 0, iat= 909, 928, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 57 LYS+ HN 57 LYS+ HB3 3.65 (#peak 168 #SUP 1.00)
&rst
ixpk= 168, nxpk= 0, iat= 962, 967, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 46 ARG+ HN 47 VAL HN 3.51 (#peak 171 #SUP 0.97 #QF 0.97)
&rst
ixpk= 171, nxpk= 0, iat= 744, 768, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 46 ARG+ HG2 47 VAL HN 4.73 (#peak 177 #SUP 1.00)
&rst
ixpk= 177, nxpk= 0, iat= 751, 768, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 42 LEU HB3 47 VAL HN 4.56 (#peak 178 #SUP 0.77 #QF 0.62)
&rst
ixpk= 178, nxpk= 0, iat= 691, 768, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 45 ALA QB 47 VAL HN 5.10 (#peak 178 #SUP 0.77 #QF 0.62)
&rst
ixpk= 178, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 738, 739, 740,
&end
#
# 11 THR HG1 14 GLN HN 4.14 (#peak 214 #SUP 0.92 #QF 0.92)
&rst
ixpk= 214, nxpk= 0, iat= 189, 221, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 52 LYS+ HB2 53 ASN HN 3.88 (#peak 226 #SUP 0.91 #QF 0.91)
&rst
ixpk= 226, nxpk= 0, iat= 872, 890, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 52 LYS+ HB3 53 ASN HN 4.19 (#peak 228 #SUP 0.98 #QF 0.98)
&rst
ixpk= 228, nxpk= 0, iat= 873, 890, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 59 ARG+ HA 64 PHE HN 3.92 (#peak 241 #SUP 0.78 #QF 0.78)
&rst
ixpk= 241, nxpk= 0, iat=1010,1108, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 GLU- HN 34 GLU- HG2 3.68 (#peak 248 #SUP 0.99 #QF 0.99)
&rst
ixpk= 248, nxpk= 0, iat= 559, 566, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 51 PHE HN 52 LYS+ HN 3.94 (#peak 253 #SUP 0.98 #QF 0.98)
&rst
ixpk= 253, nxpk= 0, iat= 848, 868, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 12 SER HA 16 GLN HN 3.96 (#peak 274 #SUP 0.79 #QF 0.79)
&rst
ixpk= 274, nxpk= 0, iat= 195, 257, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 15 LEU HB3 16 GLN HN 4.11 (#peak 282 #SUP 0.94 #QF 0.94)
&rst
ixpk= 282, nxpk= 0, iat= 243, 257, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 LEU HN 15 LEU HB2 3.50 (#peak 292 #SUP 0.93 #QF 0.93)
&rst
ixpk= 292, nxpk= 0, iat= 238, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 LEU HN 15 LEU HG 4.05 (#peak 293 #SUP 0.92 #QF 0.92)
&rst
ixpk= 293, nxpk= 0, iat= 238, 245, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 10 PHE HB3 11 THR HN 4.33 (#peak 340 #SUP 0.93 #QF 0.93)
&rst
ixpk= 340, nxpk= 0, iat= 164, 179, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 PHE HB3 23 GLN HN 4.25 (#peak 355 #SUP 0.95 #QF 0.95)
&rst
ixpk= 355, nxpk= 0, iat= 352, 367, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 8 THR HN 8 THR HB 3.60 (#peak 364 #SUP 0.78 #QF 0.78)
&rst
ixpk= 364, nxpk= 0, iat= 128, 132, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 PHE HN 10 PHE HB3 3.83 (#peak 367 #SUP 0.67 #QF 0.67)
&rst
ixpk= 367, nxpk= 0, iat= 159, 164, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 10 PHE HN 10 PHE HB2 3.83 (#peak 368 #SUP 0.86 #QF 0.86)
&rst
ixpk= 368, nxpk= 0, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 43 THR HN 46 ARG+ HD2 5.50 (#peak 369 #SUP 0.98 #QF 0.98)
&rst
ixpk= 369, nxpk= 0, iat= 705, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ARG+ HG2 8 THR HN 4.98 (#peak 373 #SUP 0.93 #QF 0.93)
&rst
ixpk= 373, nxpk= 0, iat= 111, 128, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 16 GLN HB2 17 GLU- HN 4.04 (#peak 378 #SUP 0.77 #QF 0.65)
&rst
ixpk= 378, nxpk= 0, iat= 261, 274, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 16 GLN HB3 17 GLU- HN 4.04 (#peak 408 #SUP 0.83 #QF 0.83)
&rst
ixpk= 408, nxpk= 0, iat= 262, 274, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 65 ILE HN 66 VAL HN 4.60 (#peak 409 #SUP 0.99 #QF 0.99)
&rst
ixpk= 409, nxpk= 0, iat=1128,1147, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 LEU HB3 19 GLU- HN 5.28 (#peak 412 #SUP 0.99 #QF 0.55)
&rst
ixpk= 412, nxpk= 0, iat= 243, 308, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 39 TRP HN 39 TRP HB3 3.62 (#peak 417 #SUP 0.83 #QF 0.83)
&rst
ixpk= 417, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 GLN HN 24 ARG+ HB3 5.50 (#peak 422 #SUP 0.90 #QF 0.87)
&rst
ixpk= 422, nxpk= 0, iat= 367, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HN 21 THR HG1 4.56 (#peak 425 #SUP 0.88 #QF 0.88)
&rst
ixpk= 425, nxpk= 0, iat= 333, 343, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 61 ARG+ HN 61 ARG+ HB2 3.77 (#peak 447 #SUP 0.59 #QF 0.59)
&rst
ixpk= 447, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 12 SER QB 15 LEU HN 5.44 (#peak 449 #SUP 0.90 #QF 0.81)
&rst
ixpk= 449, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 197, 198,
&end
#
# 14 GLN HN 14 GLN HG2 3.74 (#peak 465 #SUP 0.94 #QF 0.69)
&rst
ixpk= 465, nxpk= 0, iat= 221, 228, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 53 ASN HN 53 ASN HB3 3.33 (#peak 467 #SUP 0.95 #QF 0.95)
&rst
ixpk= 467, nxpk= 0, iat= 890, 895, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 45 ALA HN 47 VAL HN 4.60 (#peak 470 #SUP 0.96 #QF 0.96)
&rst
ixpk= 470, nxpk= 0, iat= 734, 768, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 40 THR HG1 42 LEU HN 4.27 (#peak 473 #SUP 0.89 #QF 0.89)
&rst
ixpk= 473, nxpk= 0, iat= 668, 686, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 35 GLU- HA 39 TRP HN 5.25 (#peak 479 #SUP 0.88 #QF 0.88)
&rst
ixpk= 479, nxpk= 0, iat= 576, 634, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 56 ALA HA 58 TRP HN 4.05 (#peak 487 #SUP 0.93 #QF 0.93)
&rst
ixpk= 487, nxpk= 0, iat= 954, 984, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 32 THR QG2 35 GLU- HN 5.50 (#peak 488 #SUP 1.00 #QF 0.95)
&rst
ixpk= 488, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 527, 528, 529,
&end
#
# 28 PRO HB3 33 ARG+ HN 5.19 (#peak 489 #SUP 1.00)
&rst
ixpk= 489, nxpk= 0, iat= 475, 535, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 50 TRP HN 50 TRP HD1 5.27 (#peak 495 #SUP 1.00)
&rst
ixpk= 495, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 50 TRP HN 53 ASN HB3 5.56 (#peak 497 #SUP 0.45 #QF 0.45)
&rst
ixpk= 497, nxpk= 0, iat= 824, 895, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 33 ARG+ HA 37 ALA HN 4.47 (#peak 503 #SUP 0.98 #QF 0.98)
&rst
ixpk= 503, nxpk= 0, iat= 537, 608, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 24 ARG+ QD 25 ASN HN 4.40 (#peak 522 #SUP 0.89 #QF 0.89)
&rst
ixpk= 522, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 394, 395,
&end
#
# 44 GLU- HN 46 ARG+ HN 4.37 (#peak 526 #SUP 0.74 #QF 0.74)
&rst
ixpk= 526, nxpk= 0, iat= 719, 744, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 11 THR HN 15 LEU HN 5.12 (#peak 531 #SUP 0.66 #QF 0.66)
&rst
ixpk= 531, nxpk= 0, iat= 179, 238, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 THR HG1 22 PHE HN 5.05 (#peak 534 #SUP 0.70 #QF 0.70)
&rst
ixpk= 534, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 19 GLU- HN 19 GLU- HB2 3.67 (#peak 540 #SUP 0.96 #QF 0.96)
&rst
ixpk= 540, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 3 GLN HB2 4 ARG+ HN 5.03 (#peak 544 #SUP 0.97 #QF 0.97)
&rst
ixpk= 544, nxpk= 0, iat= 26, 39, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 5 ARG+ HA 6 GLN HN 2.84 (#peak 548 #SUP 0.62 #QF 0.62)
&rst
ixpk= 548, nxpk= 0, iat= 65, 87, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 42 LEU HA 43 THR HN 3.38 (#peak 4 #SUP 0.99 #QF 0.99)
&rst
ixpk= 4, nxpk= 0, iat= 688, 705, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 37 ALA HA 43 THR HN 4.45 (#peak 6 #SUP 0.94 #QF 0.94)
&rst
ixpk= 6, nxpk= 0, iat= 610, 705, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 43 THR HN 46 ARG+ HB2 3.94 (#peak 7 #SUP 0.99 #QF 0.99)
&rst
ixpk= 7, nxpk= 0, iat= 705, 748, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 65 ILE HA 66 VAL HN 2.85 (#peak 15 #SUP 0.87 #QF 0.87)
&rst
ixpk= 15, nxpk= 0, iat=1130,1147, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 66 VAL HN 66 VAL HB 3.72 (#peak 16 #SUP 0.99 #QF 0.99)
&rst
ixpk= 16, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 65 ILE QG2 66 VAL HN 3.75 (#peak 19 #SUP 0.99 #QF 0.99)
&rst
ixpk= 19, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1134,1135,1136,
&end
#
# 53 ASN HN 54 ARG+ HN 3.52 (#peak 20 #SUP 0.59 #QF 0.59)
&rst
ixpk= 20, nxpk= 0, iat= 890, 904, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 THR HN 22 PHE HN 3.47 (#peak 21 #SUP 0.99 #QF 0.93)
&rst
ixpk= 21, nxpk= 0, iat= 333, 347, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 22 PHE HN 23 GLN HN 3.79 (#peak 21 #SUP 0.99 #QF 0.93)
&rst
ixpk= 21, nxpk= 0, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 21 THR HB 22 PHE HN 3.44 (#peak 27 #SUP 0.96 #QF 0.96)
&rst
ixpk= 27, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 22 PHE HN 22 PHE HB2 3.38 (#peak 31 #SUP 0.95 #QF 0.95)
&rst
ixpk= 31, nxpk= 0, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 22 PHE HN 22 PHE HB3 3.38 (#peak 32 #SUP 0.97 #QF 0.97)
&rst
ixpk= 32, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 53 ASN HB3 54 ARG+ HN 3.83 (#peak 33 #SUP 0.98 #QF 0.98)
&rst
ixpk= 33, nxpk= 0, iat= 895, 904, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 54 ARG+ HN 54 ARG+ HB3 3.68 (#peak 37 #SUP 0.99 #QF 0.99)
&rst
ixpk= 37, nxpk= 0, iat= 904, 909, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 THR HN 41 ASN HA 4.91 (#peak 41 #SUP 0.91 #QF 0.91)
&rst
ixpk= 41, nxpk= 0, iat= 658, 674, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 37 ALA HA 40 THR HN 4.01 (#peak 44 #SUP 1.00)
&rst
ixpk= 44, nxpk= 0, iat= 610, 658, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 39 TRP HB3 40 THR HN 4.04 (#peak 45 #SUP 0.60 #QF 0.60)
&rst
ixpk= 45, nxpk= 0, iat= 639, 658, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 40 THR HN 40 THR QG2 3.52 (#peak 46 #SUP 0.97 #QF 0.97)
&rst
ixpk= 46, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 664, 665, 666,
&end
#
# 37 ALA HN 39 TRP HN 5.18 (#peak 48 #SUP 0.98 #QF 0.98)
&rst
ixpk= 48, nxpk= 0, iat= 608, 634, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 37 ALA HN 47 VAL HB 5.50 (#peak 51 #SUP 0.97 #QF 0.70)
&rst
ixpk= 51, nxpk= 0, iat= 608, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HN 37 ALA QB 3.00 (#peak 52 #SUP 1.00)
&rst
ixpk= 52, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 612, 613, 614,
&end
#
# 37 ALA HN 47 VAL QG1 4.98 (#peak 53 #SUP 1.00 #QF 0.99)
&rst
ixpk= 53, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 774, 775, 776,
&end
#
# 37 ALA HN 47 VAL QG2 3.90 (#peak 54 #SUP 0.95 #QF 0.95)
&rst
ixpk= 54, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 778, 779, 780,
&end
#
# 29 ASP- HN 32 THR HB 3.61 (#peak 58 #SUP 0.84 #QF 0.84)
&rst
ixpk= 58, nxpk= 0, iat= 481, 525, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 6 GLN QB 7 ARG+ HN 3.35 (#peak 65 #SUP 0.88 #QF 0.88)
&rst
ixpk= 65, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 91, 92,
&end
#
# 7 ARG+ HN 7 ARG+ HB3 4.08 (#peak 67 #SUP 0.99 #QF 0.99)
&rst
ixpk= 67, nxpk= 0, iat= 104, 109, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 34 GLU- HA 44 GLU- HN 4.78 (#peak 70 #SUP 0.63 #QF 0.63)
&rst
ixpk= 70, nxpk= 0, iat= 561, 719, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 44 GLU- HN 44 GLU- HG2 4.64 (#peak 72 #SUP 0.99 #QF 0.99)
&rst
ixpk= 72, nxpk= 0, iat= 719, 726, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 44 GLU- HN 44 GLU- HB2 3.70 (#peak 73 #SUP 0.83 #QF 0.83)
&rst
ixpk= 73, nxpk= 0, iat= 719, 723, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 44 GLU- HN 44 GLU- HB3 3.70 (#peak 74 #SUP 0.98 #QF 0.98)
&rst
ixpk= 74, nxpk= 0, iat= 719, 724, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 43 THR QG2 44 GLU- HN 3.67 (#peak 75 #SUP 0.97 #QF 0.59)
&rst
ixpk= 75, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 711, 712, 713,
&end
#
# 4 ARG+ HN 4 ARG+ QD 4.68 (#peak 77 #SUP 0.99 #QF 0.99)
&rst
ixpk= 77, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 49, 50,
&end
#
# 4 ARG+ HN 4 ARG+ QG 3.71 (#peak 78 #SUP 0.74 #QF 0.74)
&rst
ixpk= 78, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 46, 47,
&end
#
# 64 PHE QB 65 ILE HN 4.15 (#peak 84 #SUP 0.97 #QF 0.97)
&rst
ixpk= 84, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1112,1113,
&end
#
# 62 GLU- QB 65 ILE HN 3.59 (#peak 85 #SUP 0.99 #QF 0.92)
&rst
ixpk= 85, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1082,1083,
&end
#
# 18 LEU HN 18 LEU HB3 3.76 (#peak 90 #SUP 0.99 #QF 0.99)
&rst
ixpk= 90, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 17 GLU- HN 18 LEU HN 3.63 (#peak 92 #SUP 0.99 #QF 0.99)
&rst
ixpk= 92, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 15 LEU HA 18 LEU HN 3.92 (#peak 94 #SUP 0.85 #QF 0.85)
&rst
ixpk= 94, nxpk= 0, iat= 240, 289, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 18 LEU HN 18 LEU HG 4.05 (#peak 97 #SUP 0.95 #QF 0.95)
&rst
ixpk= 97, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 LEU HN 18 LEU HB2 3.76 (#peak 98 #SUP 0.98 #QF 0.98)
&rst
ixpk= 98, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 49 VAL HN 50 TRP HN 3.78 (#peak 100 #SUP 0.94 #QF 0.94)
&rst
ixpk= 100, nxpk= 0, iat= 808, 824, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 50 TRP HN 51 PHE QD 4.55 (#peak 101 #SUP 0.79 #QF 0.79)
&rst
ixpk= 101, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 856, 864,
&end
#
# 49 VAL HB 50 TRP HN 3.99 (#peak 108 #SUP 0.98 #QF 0.98)
&rst
ixpk= 108, nxpk= 0, iat= 812, 824, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 5 ARG+ QD 6 GLN HN 4.56 (#peak 111 #SUP 0.93 #QF 0.93)
&rst
ixpk= 111, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 73, 74,
&end
#
# 6 GLN HN 6 GLN QB 3.09 (#peak 113 #SUP 0.95 #QF 0.95)
&rst
ixpk= 113, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 91, 92,
&end
#
# 54 ARG+ HN 56 ALA HN 4.14 (#peak 116 #SUP 0.98 #QF 0.98)
&rst
ixpk= 116, nxpk= 0, iat= 904, 952, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 55 ARG+ HN 56 ALA HN 3.63 (#peak 117 #SUP 0.99 #QF 0.99)
&rst
ixpk= 117, nxpk= 0, iat= 928, 952, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 55 ARG+ HB3 56 ALA HN 4.13 (#peak 122 #SUP 0.95 #QF 0.95)
&rst
ixpk= 122, nxpk= 0, iat= 933, 952, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 56 ALA HN 56 ALA QB 2.93 (#peak 124 #SUP 1.00)
&rst
ixpk= 124, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 956, 957, 958,
&end
#
# 48 ARG+ HN 48 ARG+ HB3 3.46 (#peak 129 #SUP 0.99 #QF 0.99)
&rst
ixpk= 129, nxpk= 0, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 48 ARG+ HN 48 ARG+ HB2 3.46 (#peak 130 #SUP 0.80 #QF 0.80)
&rst
ixpk= 130, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 47 VAL QG2 48 ARG+ HN 4.11 (#peak 132 #SUP 0.99 #QF 0.99)
&rst
ixpk= 132, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 778, 779, 780,
&end
#
# 47 VAL QG1 48 ARG+ HN 3.88 (#peak 133 #SUP 0.86 #QF 0.86)
&rst
ixpk= 133, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 774, 775, 776,
&end
#
# 25 ASN HA 26 ARG+ HN 3.00 (#peak 136 #SUP 0.91 #QF 0.91)
&rst
ixpk= 136, nxpk= 0, iat= 410, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ASN QB 26 ARG+ HN 4.12 (#peak 138 #SUP 0.97 #QF 0.97)
&rst
ixpk= 138, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 412, 413,
&end
#
# 26 ARG+ HN 26 ARG+ HD2 4.51 (#peak 139 #SUP 1.00)
&rst
ixpk= 139, nxpk= 0, iat= 422, 432, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 26 ARG+ HN 26 ARG+ HG2 3.73 (#peak 141 #SUP 0.97 #QF 0.26)
&rst
ixpk= 141, nxpk= 0, iat= 422, 429, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 ARG+ HN 26 ARG+ HG3 3.73 (#peak 142 #SUP 0.55 #QF 0.55)
&rst
ixpk= 142, nxpk= 0, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 49 VAL HA 52 LYS+ HN 3.61 (#peak 147 #SUP 0.82 #QF 0.82)
&rst
ixpk= 147, nxpk= 0, iat= 810, 868, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 51 PHE QB 52 LYS+ HN 3.69 (#peak 148 #SUP 0.95 #QF 0.95)
&rst
ixpk= 148, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 852, 853,
&end
#
# 58 TRP HN 58 TRP HB2 3.58 (#peak 156 #SUP 0.92 #QF 0.92)
&rst
ixpk= 156, nxpk= 0, iat= 984, 988, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 34 GLU- HN 35 GLU- HN 3.55 (#peak 158 #SUP 0.88 #QF 0.88)
&rst
ixpk= 158, nxpk= 0, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 35 GLU- HN 35 GLU- HB2 3.37 (#peak 164 #SUP 0.99 #QF 0.99)
&rst
ixpk= 164, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 35 GLU- HN 36 ILE HB 5.09 (#peak 166 #SUP 0.98 #QF 0.91)
&rst
ixpk= 166, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 32 THR HN 34 GLU- HN 5.06 (#peak 171 #SUP 0.97 #QF 0.97)
&rst
ixpk= 171, nxpk= 0, iat= 521, 559, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 32 THR HN 35 GLU- HN 4.91 (#peak 173 #SUP 0.76 #QF 0.76)
&rst
ixpk= 173, nxpk= 0, iat= 521, 574, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 11 THR HG1 13 GLN HN 4.35 (#peak 174 #SUP 0.91 #QF 0.91)
&rst
ixpk= 174, nxpk= 0, iat= 189, 204, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 32 THR HN 32 THR HB 3.14 (#peak 175 #SUP 0.82 #QF 0.82)
&rst
ixpk= 175, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 31 SER QB 32 THR HN 3.36 (#peak 177 #SUP 0.85 #QF 0.85)
&rst
ixpk= 177, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 514, 515,
&end
#
# 13 GLN HN 13 GLN HB2 3.33 (#peak 180 #SUP 0.96 #QF 0.96)
&rst
ixpk= 180, nxpk= 0, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 13 GLN HN 13 GLN HB3 3.33 (#peak 181 #SUP 0.95 #QF 0.95)
&rst
ixpk= 181, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 11 THR QG2 13 GLN HN 4.22 (#peak 183 #SUP 0.97 #QF 0.97)
&rst
ixpk= 183, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 185, 186, 187,
&end
#
# 32 THR HN 33 ARG+ HN 3.43 (#peak 186 #SUP 0.98 #QF 0.98)
&rst
ixpk= 186, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 32 THR HB 33 ARG+ HN 3.53 (#peak 188 #SUP 0.98 #QF 0.98)
&rst
ixpk= 188, nxpk= 0, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 33 ARG+ HN 33 ARG+ HB2 3.61 (#peak 191 #SUP 0.98 #QF 0.98)
&rst
ixpk= 191, nxpk= 0, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 33 ARG+ HN 33 ARG+ HB3 3.61 (#peak 192 #SUP 0.99 #QF 0.99)
&rst
ixpk= 192, nxpk= 0, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 33 ARG+ HN 36 ILE QD1 4.58 (#peak 195 #SUP 0.98 #QF 0.98)
&rst
ixpk= 195, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 602, 603, 604,
&end
#
# 46 ARG+ HA 49 VAL HN 4.18 (#peak 199 #SUP 0.80 #QF 0.80)
&rst
ixpk= 199, nxpk= 0, iat= 746, 808, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 49 VAL HN 49 VAL HB 3.10 (#peak 202 #SUP 0.89 #QF 0.89)
&rst
ixpk= 202, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 49 VAL HN 49 VAL QG1 4.58 (#peak 205 #SUP 0.86 #QF 0.86)
&rst
ixpk= 205, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 814, 815, 816,
&end
#
# 20 ALA HN 21 THR HB 4.86 (#peak 208 #SUP 0.88 #QF 0.88)
&rst
ixpk= 208, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 GLN HA 20 ALA HN 4.71 (#peak 211 #SUP 0.91 #QF 0.91)
&rst
ixpk= 211, nxpk= 0, iat= 259, 323, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 19 GLU- HG3 20 ALA HN 4.50 (#peak 212 #SUP 0.99 #QF 0.99)
&rst
ixpk= 212, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLU- HB2 20 ALA HN 4.12 (#peak 215 #SUP 0.99 #QF 0.99)
&rst
ixpk= 215, nxpk= 0, iat= 312, 323, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 20 ALA HN 20 ALA QB 3.12 (#peak 216 #SUP 1.00)
&rst
ixpk= 216, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 327, 328, 329,
&end
#
# 59 ARG+ HA 63 GLU- HN 3.46 (#peak 219 #SUP 0.72 #QF 0.72)
&rst
ixpk= 219, nxpk= 0, iat=1010,1093, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 38 VAL HN 39 TRP HN 3.55 (#peak 221 #SUP 0.98 #QF 0.98)
&rst
ixpk= 221, nxpk= 0, iat= 618, 634, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 38 VAL HB 39 TRP HN 3.40 (#peak 227 #SUP 0.96 #QF 0.96)
&rst
ixpk= 227, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 41 ASN HN 42 LEU HN 3.27 (#peak 231 #SUP 0.96 #QF 0.96)
&rst
ixpk= 231, nxpk= 0, iat= 672, 686, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 38 VAL HN 42 LEU HN 5.50 (#peak 232 #SUP 0.73 #QF 0.66)
&rst
ixpk= 232, nxpk= 0, iat= 618, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 PHE QD 55 ARG+ HN 5.50 (#peak 232 #SUP 0.73 #QF 0.66)
&rst
ixpk= 232, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 856, 864,
&end
#
# 55 ARG+ HN 57 LYS+ HN 4.13 (#peak 233 #SUP 0.89 #QF 0.89)
&rst
ixpk= 233, nxpk= 0, iat= 928, 962, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 42 LEU HN 43 THR HN 4.45 (#peak 235 #SUP 0.90 #QF 0.90)
&rst
ixpk= 235, nxpk= 0, iat= 686, 705, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 52 LYS+ HA 55 ARG+ HN 4.20 (#peak 240 #SUP 0.79 #QF 0.79)
&rst
ixpk= 240, nxpk= 0, iat= 870, 928, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 37 ALA HA 42 LEU HN 3.42 (#peak 241 #SUP 0.95 #QF 0.95)
&rst
ixpk= 241, nxpk= 0, iat= 610, 686, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 55 ARG+ HN 55 ARG+ HB2 3.69 (#peak 244 #SUP 0.66 #QF 0.66)
&rst
ixpk= 244, nxpk= 0, iat= 928, 932, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 42 LEU HN 42 LEU HB2 3.51 (#peak 246 #SUP 0.96 #QF 0.63)
&rst
ixpk= 246, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 42 LEU HN 42 LEU HB3 3.56 (#peak 247 #SUP 0.99 #QF 0.99)
&rst
ixpk= 247, nxpk= 0, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 42 LEU HN 42 LEU HG 4.22 (#peak 248 #SUP 0.73 #QF 0.73)
&rst
ixpk= 248, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 54 ARG+ HB2 55 ARG+ HN 3.95 (#peak 252 #SUP 0.95 #QF 0.95)
&rst
ixpk= 252, nxpk= 0, iat= 908, 928, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 56 ALA HN 57 LYS+ HN 3.56 (#peak 254 #SUP 0.99 #QF 0.99)
&rst
ixpk= 254, nxpk= 0, iat= 952, 962, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 56 ALA QB 57 LYS+ HN 3.33 (#peak 260 #SUP 0.97 #QF 0.97)
&rst
ixpk= 260, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 956, 957, 958,
&end
#
# 47 VAL HN 48 ARG+ HN 3.66 (#peak 261 #SUP 0.99 #QF 0.99)
&rst
ixpk= 261, nxpk= 0, iat= 768, 784, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 VAL HN 47 VAL HB 3.30 (#peak 267 #SUP 0.98 #QF 0.98)
&rst
ixpk= 267, nxpk= 0, iat= 768, 772, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 46 ARG+ HB2 47 VAL HN 3.75 (#peak 268 #SUP 0.97 #QF 0.97)
&rst
ixpk= 268, nxpk= 0, iat= 748, 768, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 14 GLN HA 17 GLU- HN 4.67 (#peak 278 #SUP 0.98 #QF 0.98)
&rst
ixpk= 278, nxpk= 0, iat= 223, 274, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 32 THR HA 36 ILE HN 4.32 (#peak 285 #SUP 1.00 #QF 0.70)
&rst
ixpk= 285, nxpk= 0, iat= 523, 589, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 44 GLU- HN 45 ALA HN 3.82 (#peak 290 #SUP 0.97 #QF 0.97)
&rst
ixpk= 290, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 35 GLU- HN 36 ILE HN 3.63 (#peak 292 #SUP 0.99 #QF 0.99)
&rst
ixpk= 292, nxpk= 0, iat= 574, 589, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 45 ALA HN 46 ARG+ HN 3.63 (#peak 293 #SUP 0.99 #QF 0.99)
&rst
ixpk= 293, nxpk= 0, iat= 734, 744, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 35 GLU- HB2 36 ILE HN 3.65 (#peak 298 #SUP 0.98 #QF 0.98)
&rst
ixpk= 298, nxpk= 0, iat= 578, 589, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 36 ILE HN 36 ILE HB 3.24 (#peak 300 #SUP 0.97 #QF 0.90)
&rst
ixpk= 300, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 36 ILE HN 36 ILE HG13 4.17 (#peak 300 #SUP 0.97 #QF 0.90)
&rst
ixpk= 300, nxpk= 0, iat= 589, 600, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 44 GLU- HG3 45 ALA HN 4.60 (#peak 301 #SUP 0.97 #QF 0.97)
&rst
ixpk= 301, nxpk= 0, iat= 727, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 GLU- HN 19 GLU- HN 4.35 (#peak 312 #SUP 0.55 #QF 0.55)
&rst
ixpk= 312, nxpk= 0, iat= 274, 308, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 24 ARG+ HN 25 ASN HN 2.64 (#peak 313 #SUP 0.92 #QF 0.92)
&rst
ixpk= 313, nxpk= 0, iat= 384, 408, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 22 PHE HA 25 ASN HN 3.55 (#peak 315 #SUP 0.92 #QF 0.71)
&rst
ixpk= 315, nxpk= 0, iat= 349, 408, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 16 GLN HA 19 GLU- HN 4.36 (#peak 317 #SUP 0.95 #QF 0.95)
&rst
ixpk= 317, nxpk= 0, iat= 259, 308, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 24 ARG+ HG2 25 ASN HN 4.21 (#peak 326 #SUP 0.99 #QF 0.99)
&rst
ixpk= 326, nxpk= 0, iat= 391, 408, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 24 ARG+ HG3 25 ASN HN 4.21 (#peak 327 #SUP 0.99 #QF 0.99)
&rst
ixpk= 327, nxpk= 0, iat= 392, 408, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 THR QG2 25 ASN HN 4.21 (#peak 328 #SUP 0.93 #QF 0.93)
&rst
ixpk= 328, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 339, 340, 341,
&end
#
# 11 THR HN 14 GLN HN 4.00 (#peak 330 #SUP 0.90 #QF 0.90)
&rst
ixpk= 330, nxpk= 0, iat= 179, 221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 GLN HN 14 GLN HN 3.63 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat= 204, 221, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 14 GLN HN 14 GLN HG3 3.74 (#peak 336 #SUP 0.96 #QF 0.68)
&rst
ixpk= 336, nxpk= 0, iat= 221, 229, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 13 GLN QG 14 GLN HN 4.32 (#peak 337 #SUP 1.00)
&rst
ixpk= 337, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 211, 212,
&end
#
# 30 MET HN 31 SER HN 3.40 (#peak 343 #SUP 0.97 #QF 0.97)
&rst
ixpk= 343, nxpk= 0, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 52 LYS+ HN 53 ASN HN 3.56 (#peak 344 #SUP 0.99 #QF 0.99)
&rst
ixpk= 344, nxpk= 0, iat= 868, 890, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 30 MET HN 30 MET QG 3.14 (#peak 351 #SUP 0.71 #QF 0.71)
&rst
ixpk= 351, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 500, 501,
&end
#
# 41 ASN HN 41 ASN HA 2.82 (#peak 356 #SUP 0.97 #QF 0.97)
&rst
ixpk= 356, nxpk= 0, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 39 TRP HB3 41 ASN HN 5.50 (#peak 360 #SUP 0.67 #QF 0.67)
&rst
ixpk= 360, nxpk= 0, iat= 639, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HN 41 ASN HB2 3.76 (#peak 362 #SUP 0.96 #QF 0.96)
&rst
ixpk= 362, nxpk= 0, iat= 672, 676, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 37 ALA QB 41 ASN HN 4.78 (#peak 364 #SUP 0.97 #QF 0.97)
&rst
ixpk= 364, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 612, 613, 614,
&end
#
# 66 VAL HB 67 THR HN 4.54 (#peak 369 #SUP 0.98 #QF 0.98)
&rst
ixpk= 369, nxpk= 0, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 65 ILE QG2 67 THR HN 5.30 (#peak 372 #SUP 0.96 #QF 0.96)
&rst
ixpk= 372, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1134,1135,1136,
&end
#
# 64 PHE HN 64 PHE QD 4.16 (#peak 373 #SUP 0.89 #QF 0.89)
&rst
ixpk= 373, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1116,1124,
&end
#
# 33 ARG+ HN 34 GLU- HN 3.68 (#peak 378 #SUP 1.00)
&rst
ixpk= 378, nxpk= 0, iat= 535, 559, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 34 GLU- HN 34 GLU- HB2 3.60 (#peak 385 #SUP 0.97 #QF 0.97)
&rst
ixpk= 385, nxpk= 0, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 34 GLU- HN 34 GLU- HB3 3.60 (#peak 387 #SUP 0.97 #QF 0.97)
&rst
ixpk= 387, nxpk= 0, iat= 559, 564, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 50 TRP HN 51 PHE HN 3.89 (#peak 390 #SUP 0.97 #QF 0.97)
&rst
ixpk= 390, nxpk= 0, iat= 824, 848, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 51 PHE HN 51 PHE QB 3.05 (#peak 397 #SUP 0.93 #QF 0.93)
&rst
ixpk= 397, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 852, 853,
&end
#
# 38 VAL HN 39 TRP HB2 5.50 (#peak 405 #SUP 0.89 #QF 0.89)
&rst
ixpk= 405, nxpk= 0, iat= 618, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL HN 38 VAL QG1 3.89 (#peak 412 #SUP 0.99 #QF 0.99)
&rst
ixpk= 412, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 624, 625, 626,
&end
#
# 15 LEU HN 16 GLN HN 3.54 (#peak 413 #SUP 0.99 #QF 0.99)
&rst
ixpk= 413, nxpk= 0, iat= 238, 257, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 16 GLN HN 17 GLU- HN 3.58 (#peak 414 #SUP 0.97 #QF 0.97)
&rst
ixpk= 414, nxpk= 0, iat= 257, 274, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 16 GLN HN 16 GLN HB2 3.67 (#peak 420 #SUP 0.97 #QF 0.97)
&rst
ixpk= 420, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 15 LEU HB2 16 GLN HN 3.67 (#peak 423 #SUP 0.99 #QF 0.99)
&rst
ixpk= 423, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 15 LEU QD1 16 GLN HN 4.68 (#peak 425 #SUP 1.00)
&rst
ixpk= 425, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 247, 248, 249,
&end
#
# 15 LEU HN 16 GLN HA 5.48 (#peak 434 #SUP 0.87 #QF 0.87)
&rst
ixpk= 434, nxpk= 0, iat= 238, 259, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 15 LEU HN 15 LEU HB3 3.59 (#peak 441 #SUP 1.00)
&rst
ixpk= 441, nxpk= 0, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 61 ARG+ HN 62 GLU- HN 3.62 (#peak 444 #SUP 0.90 #QF 0.90)
&rst
ixpk= 444, nxpk= 0, iat=1054,1078, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 58 TRP HA 61 ARG+ HN 4.36 (#peak 446 #SUP 0.85 #QF 0.85)
&rst
ixpk= 446, nxpk= 0, iat= 986,1054, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 46 ARG+ HN 46 ARG+ HB2 3.23 (#peak 458 #SUP 0.92 #QF 0.92)
&rst
ixpk= 458, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 46 ARG+ HN 46 ARG+ HB3 3.76 (#peak 459 #SUP 0.92 #QF 0.92)
&rst
ixpk= 459, nxpk= 0, iat= 744, 749, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 43 THR QG2 46 ARG+ HN 4.67 (#peak 462 #SUP 0.93 #QF 0.93)
&rst
ixpk= 462, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 711, 712, 713,
&end
#
# 46 ARG+ HN 47 VAL QG2 4.64 (#peak 463 #SUP 0.94 #QF 0.94)
&rst
ixpk= 463, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 778, 779, 780,
&end
#
# 23 GLN HN 24 ARG+ HN 3.54 (#peak 466 #SUP 0.99 #QF 0.99)
&rst
ixpk= 466, nxpk= 0, iat= 367, 384, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 12 SER HN 13 GLN HN 4.05 (#peak 475 #SUP 0.89 #QF 0.89)
&rst
ixpk= 475, nxpk= 0, iat= 193, 204, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 11 THR HA 12 SER HN 3.47 (#peak 476 #SUP 0.93 #QF 0.93)
&rst
ixpk= 476, nxpk= 0, iat= 181, 193, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 12 SER HN 12 SER QB 3.63 (#peak 478 #SUP 0.89 #QF 0.89)
&rst
ixpk= 478, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 197, 198,
&end
#
# 26 ARG+ HN 27 TYR HN 3.37 (#peak 479 #SUP 0.99 #QF 0.99)
&rst
ixpk= 479, nxpk= 0, iat= 422, 446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 27 TYR HN 27 TYR HB3 4.07 (#peak 484 #SUP 0.98 #QF 0.98)
&rst
ixpk= 484, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 25 ASN QB 27 TYR HN 4.39 (#peak 486 #SUP 0.93 #QF 0.93)
&rst
ixpk= 486, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 412, 413,
&end
#
# 27 TYR HN 27 TYR HB2 4.07 (#peak 487 #SUP 0.99 #QF 0.99)
&rst
ixpk= 487, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 26 ARG+ HB3 27 TYR HN 4.70 (#peak 489 #SUP 0.99 #QF 0.99)
&rst
ixpk= 489, nxpk= 0, iat= 427, 446, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 THR HN 21 THR HB 3.47 (#peak 491 #SUP 0.95 #QF 0.95)
&rst
ixpk= 491, nxpk= 0, iat= 333, 337, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 19 GLU- HA 21 THR HN 4.52 (#peak 492 #SUP 0.77 #QF 0.77)
&rst
ixpk= 492, nxpk= 0, iat= 310, 333, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 17 GLU- HA 21 THR HN 4.15 (#peak 493 #SUP 1.00 #QF 0.31)
&rst
ixpk= 493, nxpk= 0, iat= 276, 333, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 GLU- HG2 21 THR HN 5.00 (#peak 502 #SUP 1.00)
&rst
ixpk= 502, nxpk= 0, iat= 315, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 GLU- HB2 21 THR HN 5.50 (#peak 503 #SUP 0.53 #QF 0.30)
&rst
ixpk= 503, nxpk= 0, iat= 312, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLN HE21 24 ARG+ HB3 5.50 (#peak 503 #SUP 0.53 #QF 0.30)
&rst
ixpk= 503, nxpk= 0, iat= 379, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE QD 11 THR HN 4.42 (#peak 505 #SUP 0.96 #QF 0.96)
&rst
ixpk= 505, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 167, 175,
&end
#
# 29 ASP- HB2 31 SER HN 4.13 (#peak 516 #SUP 0.98 #QF 0.98)
&rst
ixpk= 516, nxpk= 0, iat= 485, 510, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 29 ASP- HB3 31 SER HN 4.13 (#peak 517 #SUP 0.98 #QF 0.98)
&rst
ixpk= 517, nxpk= 0, iat= 486, 510, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 30 MET QG 31 SER HN 3.08 (#peak 520 #SUP 0.91 #QF 0.91)
&rst
ixpk= 520, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 500, 501,
&end
#
# 19 GLU- HA 23 GLN HN 4.38 (#peak 524 #SUP 0.97 #QF 0.53)
&rst
ixpk= 524, nxpk= 0, iat= 310, 367, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 22 PHE HB2 23 GLN HN 4.25 (#peak 527 #SUP 0.96 #QF 0.96)
&rst
ixpk= 527, nxpk= 0, iat= 351, 367, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 4 ARG+ HA 5 ARG+ HN 3.29 (#peak 535 #SUP 0.91 #QF 0.91)
&rst
ixpk= 535, nxpk= 0, iat= 41, 63, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 7 ARG+ HA 8 THR HN 3.27 (#peak 536 #SUP 0.83 #QF 0.83)
&rst
ixpk= 536, nxpk= 0, iat= 106, 128, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 8 THR HA 9 HIS HN 3.13 (#peak 539 #SUP 0.82 #QF 0.82)
&rst
ixpk= 539, nxpk= 0, iat= 130, 142, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 33 ARG+ HA 35 GLU- HN 4.84 (#peak 545 #SUP 0.84 #QF 0.84)
&rst
ixpk= 545, nxpk= 0, iat= 537, 574, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 GLN HN 16 GLN HN 4.42 (#peak 546 #SUP 0.93 #QF 0.93)
&rst
ixpk= 546, nxpk= 0, iat= 221, 257, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 4 ARG+ HN 5 ARG+ HN 5.00 (#peak 549 #SUP 1.00 #QF 0.95)
&rst
ixpk= 549, nxpk= 0, iat= 39, 63, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 ALA HN 38 VAL HB 4.69 (#peak 552 #SUP 0.76 #QF 0.76)
&rst
ixpk= 552, nxpk= 0, iat= 608, 622, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 ILE HB 37 ALA HN 3.48 (#peak 553 #SUP 0.93 #QF 0.93)
&rst
ixpk= 553, nxpk= 0, iat= 593, 608, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 34 GLU- HA 37 ALA HN 3.65 (#peak 554 #SUP 0.78 #QF 0.78)
&rst
ixpk= 554, nxpk= 0, iat= 561, 608, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 7 ARG+ HN 8 THR HN 4.79 (#peak 557 #SUP 1.00)
&rst
ixpk= 557, nxpk= 0, iat= 104, 128, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 46 ARG+ HN 48 ARG+ HN 4.67 (#peak 562 #SUP 0.79 #QF 0.79)
&rst
ixpk= 562, nxpk= 0, iat= 744, 784, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 57 LYS+ HB3 58 TRP HN 3.85 (#peak 565 #SUP 0.98 #QF 0.98)
&rst
ixpk= 565, nxpk= 0, iat= 967, 984, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 58 TRP HN 58 TRP HB3 3.58 (#peak 567 #SUP 0.94 #QF 0.94)
&rst
ixpk= 567, nxpk= 0, iat= 984, 989, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 33 ARG+ HN 33 ARG+ HD2 5.33 (#peak 568 #SUP 0.63 #QF 0.63)
&rst
ixpk= 568, nxpk= 0, iat= 535, 545, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 38 VAL QG2 39 TRP HN 4.04 (#peak 570 #SUP 0.93 #QF 0.93)
&rst
ixpk= 570, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 628, 629, 630,
&end
#
# 46 ARG+ HN 47 VAL HB 4.88 (#peak 572 #SUP 0.98 #QF 0.98)
&rst
ixpk= 572, nxpk= 0, iat= 744, 772, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 15 LEU QD1 50 TRP HE1 4.18 (#peak 579 #SUP 0.99 #QF 0.99)
&rst
ixpk= 579, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 247, 248, 249,
&end
#
# 39 TRP HB2 39 TRP HE1 4.72 (#peak 583 #SUP 0.94 #QF 0.94)
&rst
ixpk= 583, nxpk= 0, iat= 638, 644, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 39 TRP HE1 40 THR QG2 5.50 (#peak 588 #SUP 0.99 #QF 0.99)
&rst
ixpk= 588, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
&end
#
# 36 ILE QG2 39 TRP HE1 5.43 (#peak 589 #SUP 0.86 #QF 0.81)
&rst
ixpk= 589, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 595, 596, 597,
&end
#
# 38 VAL QG1 39 TRP HE1 5.50 (#peak 589 #SUP 0.86 #QF 0.81)
&rst
ixpk= 589, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 624, 625, 626,
&end
#
# 48 ARG+ QD 49 VAL HN 4.84 (#peak 592 #SUP 0.56 #QF 0.56)
&rst
ixpk= 592, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 794, 795,
&end
#
# 41 ASN HA 41 ASN HD21 4.95 (#peak 597 #SUP 1.00)
&rst
ixpk= 597, nxpk= 0, iat= 674, 681, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 41 ASN HB3 41 ASN HD21 4.10 (#peak 599 #SUP 0.99 #QF 0.99)
&rst
ixpk= 599, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 25 ASN HD21 28 PRO HA 3.98 (#peak 605 #SUP 0.97 #QF 0.97)
&rst
ixpk= 605, nxpk= 0, iat= 417, 477, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 ASN HD22 32 THR QG2 4.22 (#peak 610 #SUP 0.91 #QF 0.91)
&rst
ixpk= 610, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 527, 528, 529,
&end
#
# 14 GLN HE21 42 LEU HG 4.29 (#peak 617 #SUP 0.99 #QF 0.99)
&rst
ixpk= 617, nxpk= 0, iat= 233, 693, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 14 GLN HE22 42 LEU HG 4.29 (#peak 618 #SUP 0.95 #QF 0.95)
&rst
ixpk= 618, nxpk= 0, iat= 234, 693, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 36 ILE QD1 39 TRP HE1 5.50 (#peak 620 #SUP 0.97 #QF 0.97)
&rst
ixpk= 620, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 602, 603, 604,
&end
#
# 58 TRP HB2 59 ARG+ HN 4.12 (#peak 626 #SUP 0.97 #QF 0.97)
&rst
ixpk= 626, nxpk= 0, iat= 988,1008, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 37 ALA HN 38 VAL HN 3.47 (#peak 627 #SUP 0.98 #QF 0.98)
&rst
ixpk= 627, nxpk= 0, iat= 608, 618, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 14 GLN HN 40 THR QG2 5.11 (#peak 629 #SUP 0.96 #QF 0.96)
&rst
ixpk= 629, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 664, 665, 666,
&end
#
# 44 GLU- HB3 45 ALA HN 4.09 (#peak 631 #SUP 0.98 #QF 0.98)
&rst
ixpk= 631, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 9 HIS HN 9 HIS HB2 3.82 (#peak 636 #SUP 0.92 #QF 0.92)
&rst
ixpk= 636, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 42 LEU HB2 43 THR HN 3.79 (#peak 640 #SUP 1.00)
&rst
ixpk= 640, nxpk= 0, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 42 LEU QD1 43 THR HN 4.27 (#peak 641 #SUP 0.96 #QF 0.96)
&rst
ixpk= 641, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 695, 696, 697,
&end
#
# 18 LEU HN 18 LEU QD2 3.92 (#peak 642 #SUP 0.88 #QF 0.88)
&rst
ixpk= 642, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 302, 303, 304,
&end
#
# 46 ARG+ HN 46 ARG+ HD3 4.20 (#peak 649 #SUP 0.97 #QF 0.97)
&rst
ixpk= 649, nxpk= 0, iat= 744, 755, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 24 ARG+ HN 25 ASN QB 4.38 (#peak 651 #SUP 0.97 #QF 0.97)
&rst
ixpk= 651, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 412, 413,
&end
#
# 19 GLU- HB3 50 TRP HE1 5.50 (#peak 654 #SUP 0.74 #QF 0.74)
&rst
ixpk= 654, nxpk= 0, iat= 313, 834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE QE 50 TRP HE1 5.07 (#peak 655 #SUP 0.54 #QF 0.54)
&rst
ixpk= 655, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 169, 173,
&end
#
# 10 PHE QD 50 TRP HE1 4.77 (#peak 656 #SUP 0.41 #QF 0.41)
&rst
ixpk= 656, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 167, 175,
&end
#
# 58 TRP HE1 59 ARG+ HA 4.42 (#peak 657 #SUP 0.42 #QF 0.42)
&rst
ixpk= 657, nxpk= 0, iat= 994,1010, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 21 THR HN 51 PHE HZ 4.93 (#peak 659 #SUP 0.92 #QF 0.92)
&rst
ixpk= 659, nxpk= 0, iat= 333, 860, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 29 ASP- HN 30 MET HA 5.50 (#peak 666 #SUP 0.99 #QF 0.99)
&rst
ixpk= 666, nxpk= 0, iat= 481, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASP- HN 33 ARG+ HA 5.50 (#peak 666 #SUP 0.99 #QF 0.99)
&rst
ixpk= 666, nxpk= 0, iat= 481, 537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA QB 42 LEU HN 3.75 (#peak 669 #SUP 0.96 #QF 0.96)
&rst
ixpk= 669, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 612, 613, 614,
&end
#
# 16 GLN HE21 20 ALA QB 5.40 (#peak 673 #SUP 0.90 #QF 0.90)
&rst
ixpk= 673, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 327, 328, 329,
&end
#
# 39 TRP HN 39 TRP HE1 5.04 (#peak 676 #SUP 0.99 #QF 0.99)
&rst
ixpk= 676, nxpk= 0, iat= 634, 644, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 VAL HN 51 PHE HN 5.14 (#peak 678 #SUP 0.94 #QF 0.94)
&rst
ixpk= 678, nxpk= 0, iat= 808, 848, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 3 GLN HB3 4 ARG+ HN 5.03 (#peak 684 #SUP 0.99 #QF 0.99)
&rst
ixpk= 684, nxpk= 0, iat= 27, 39, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 7 ARG+ HG3 8 THR HN 4.98 (#peak 690 #SUP 0.80 #QF 0.51)
&rst
ixpk= 690, nxpk= 0, iat= 112, 128, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 11 THR HN 14 GLN HG2 4.19 (#peak 694 #SUP 0.79 #QF 0.35)
&rst
ixpk= 694, nxpk= 0, iat= 179, 228, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 THR HN 14 GLN HG3 4.19 (#peak 694 #SUP 0.79 #QF 0.35)
&rst
ixpk= 694, nxpk= 0, iat= 179, 229, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 THR QG2 12 SER HN 4.10 (#peak 696 #SUP 0.88 #QF 0.88)
&rst
ixpk= 696, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 185, 186, 187,
&end
#
# 16 GLN HA 16 GLN HE22 4.61 (#peak 700 #SUP 0.80 #QF 0.80)
&rst
ixpk= 700, nxpk= 0, iat= 259, 270, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 25 ASN HD21 29 ASP- HN 4.72 (#peak 701 #SUP 0.99 #QF 0.99)
&rst
ixpk= 701, nxpk= 0, iat= 417, 481, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 38 VAL HN 39 TRP HA 5.44 (#peak 702 #SUP 0.96 #QF 0.96)
&rst
ixpk= 702, nxpk= 0, iat= 618, 636, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 40 THR HN 41 ASN HB2 5.27 (#peak 704 #SUP 0.93 #QF 0.93)
&rst
ixpk= 704, nxpk= 0, iat= 658, 676, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 43 THR HN 47 VAL HN 4.16 (#peak 705 #SUP 1.00)
&rst
ixpk= 705, nxpk= 0, iat= 705, 768, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 47 VAL QG1 51 PHE HN 4.35 (#peak 706 #SUP 0.28 #QF 0.28)
&rst
ixpk= 706, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 774, 775, 776,
&end
#
# 57 LYS+ HN 57 LYS+ HG2 4.71 (#peak 708 #SUP 0.97 #QF 0.97)
&rst
ixpk= 708, nxpk= 0, iat= 962, 969, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 54 ARG+ HA 56 ALA HN 4.92 (#peak 712 #SUP 0.97 #QF 0.97)
&rst
ixpk= 712, nxpk= 0, iat= 906, 952, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 56 ALA HN 58 TRP HN 4.68 (#peak 713 #SUP 0.76 #QF 0.76)
&rst
ixpk= 713, nxpk= 0, iat= 952, 984, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 GLN QG 13 GLN HE22 3.66 (#peak 714 #SUP 0.98 #QF 0.98)
&rst
ixpk= 714, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 211, 212,
&end
#
# 43 THR HN 46 ARG+ HB3 4.30 (#peak 5 #SUP 1.00)
&rst
ixpk= 5, nxpk= 0, iat= 705, 749, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 THR HN 46 ARG+ HG2 4.55 (#peak 5 #SUP 1.00)
&rst
ixpk= 5, nxpk= 0, iat= 705, 751, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 43 THR HN 46 ARG+ HG3 3.89 (#peak 6 #SUP 0.97 #QF 0.97)
&rst
ixpk= 6, nxpk= 0, iat= 705, 752, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 37 ALA QB 43 THR HN 3.47 (#peak 8 #SUP 0.60 #QF 0.60)
&rst
ixpk= 8, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 612, 613, 614,
&end
#
# 42 LEU HG 43 THR HN 3.67 (#peak 9 #SUP 0.79 #QF 0.79)
&rst
ixpk= 9, nxpk= 0, iat= 693, 705, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 42 LEU QD2 43 THR HN 4.27 (#peak 10 #SUP 1.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 699, 700, 701,
&end
#
# 62 GLU- QB 66 VAL HN 5.18 (#peak 14 #SUP 0.99 #QF 0.29)
&rst
ixpk= 14, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1082,1083,
&end
#
# 54 ARG+ HN 55 ARG+ HN 3.63 (#peak 17 #SUP 0.59 #QF 0.59)
&rst
ixpk= 17, nxpk= 0, iat= 904, 928, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 22 PHE HN 51 PHE QE 3.99 (#peak 19 #SUP 0.95 #QF 0.95)
&rst
ixpk= 19, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 858, 862,
&end
#
# 22 PHE HN 51 PHE HZ 3.98 (#peak 20 #SUP 0.90 #QF 0.90)
&rst
ixpk= 20, nxpk= 0, iat= 347, 860, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 22 PHE HN 22 PHE QD 4.21 (#peak 21 #SUP 0.98 #QF 0.98)
&rst
ixpk= 21, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 355, 363,
&end
#
# 22 PHE HN 50 TRP HH2 4.56 (#peak 22 #SUP 0.93 #QF 0.93)
&rst
ixpk= 22, nxpk= 0, iat= 347, 839, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 53 ASN HB2 54 ARG+ HN 3.91 (#peak 31 #SUP 0.89 #QF 0.89)
&rst
ixpk= 31, nxpk= 0, iat= 894, 904, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 21 THR QG2 22 PHE HN 3.61 (#peak 32 #SUP 0.89 #QF 0.89)
&rst
ixpk= 32, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 339, 340, 341,
&end
#
# 40 THR HN 42 LEU HN 3.82 (#peak 35 #SUP 0.97 #QF 0.97)
&rst
ixpk= 35, nxpk= 0, iat= 658, 686, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 14 GLN HA 40 THR HN 5.50 (#peak 40 #SUP 0.92 #QF 0.45)
&rst
ixpk= 40, nxpk= 0, iat= 223, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL HA 40 THR HN 5.50 (#peak 40 #SUP 0.92 #QF 0.45)
&rst
ixpk= 40, nxpk= 0, iat= 620, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 TRP HB2 40 THR HN 3.51 (#peak 42 #SUP 0.62 #QF 0.62)
&rst
ixpk= 42, nxpk= 0, iat= 638, 658, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 36 ILE QG2 40 THR HN 4.00 (#peak 44 #SUP 0.86 #QF 0.86)
&rst
ixpk= 44, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 595, 596, 597,
&end
#
# 35 GLU- HN 37 ALA HN 4.28 (#peak 46 #SUP 0.88 #QF 0.88)
&rst
ixpk= 46, nxpk= 0, iat= 574, 608, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 ASN HD22 29 ASP- HN 4.72 (#peak 48 #SUP 0.99 #QF 0.99)
&rst
ixpk= 48, nxpk= 0, iat= 418, 481, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 ASP- HN 32 THR QG2 3.93 (#peak 54 #SUP 0.99 #QF 0.99)
&rst
ixpk= 54, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 527, 528, 529,
&end
#
# 7 ARG+ HN 7 ARG+ HA 2.97 (#peak 55 #SUP 0.98 #QF 0.98)
&rst
ixpk= 55, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 6 GLN QG 7 ARG+ HN 3.86 (#peak 56 #SUP 0.97 #QF 0.97)
&rst
ixpk= 56, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 94, 95,
&end
#
# 7 ARG+ HN 7 ARG+ HB2 4.08 (#peak 58 #SUP 0.98 #QF 0.98)
&rst
ixpk= 58, nxpk= 0, iat= 104, 108, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 64 PHE QD 65 ILE HN 4.66 (#peak 70 #SUP 0.75 #QF 0.75)
&rst
ixpk= 70, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1116,1124,
&end
#
# 59 ARG+ HA 65 ILE HN 5.50 (#peak 73 #SUP 0.91 #QF 0.91)
&rst
ixpk= 73, nxpk= 0, iat=1010,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE HN 65 ILE HG12 4.20 (#peak 76 #SUP 0.97 #QF 0.97)
&rst
ixpk= 76, nxpk= 0, iat=1128,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 ILE HN 65 ILE HG13 4.20 (#peak 77 #SUP 0.99 #QF 0.99)
&rst
ixpk= 77, nxpk= 0, iat=1128,1139, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 ILE HN 65 ILE QG2 4.67 (#peak 78 #SUP 1.00)
&rst
ixpk= 78, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1134,1135,1136,
&end
#
# 18 LEU HN 18 LEU QD1 3.92 (#peak 79 #SUP 1.00)
&rst
ixpk= 79, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 298, 299, 300,
&end
#
# 18 LEU HN 20 ALA HN 4.78 (#peak 81 #SUP 1.00 #QF 0.98)
&rst
ixpk= 81, nxpk= 0, iat= 289, 323, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 18 LEU HN 21 THR HN 5.47 (#peak 81 #SUP 1.00 #QF 0.98)
&rst
ixpk= 81, nxpk= 0, iat= 289, 333, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 50 TRP HN 50 TRP HE3 4.96 (#peak 92 #SUP 0.99 #QF 0.99)
&rst
ixpk= 92, nxpk= 0, iat= 824, 843, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 49 VAL QG1 50 TRP HN 4.08 (#peak 97 #SUP 0.96 #QF 0.54)
&rst
ixpk= 97, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 814, 815, 816,
&end
#
# 5 ARG+ HN 6 GLN HN 4.45 (#peak 98 #SUP 0.98 #QF 0.98)
&rst
ixpk= 98, nxpk= 0, iat= 63, 87, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 5 ARG+ QG 6 GLN HN 4.00 (#peak 102 #SUP 0.85 #QF 0.85)
&rst
ixpk= 102, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.57,
igr1= 70, 71,
&end
#
# 53 ASN HA 56 ALA HN 4.16 (#peak 106 #SUP 0.96 #QF 0.96)
&rst
ixpk= 106, nxpk= 0, iat= 892, 952, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 52 LYS+ HA 56 ALA HN 4.49 (#peak 108 #SUP 0.94 #QF 0.94)
&rst
ixpk= 108, nxpk= 0, iat= 870, 952, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 55 ARG+ HB2 56 ALA HN 4.13 (#peak 109 #SUP 0.67 #QF 0.67)
&rst
ixpk= 109, nxpk= 0, iat= 932, 952, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 48 ARG+ HN 50 TRP HN 4.56 (#peak 113 #SUP 0.98 #QF 0.98)
&rst
ixpk= 113, nxpk= 0, iat= 784, 824, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 ARG+ HN 48 ARG+ QD 5.06 (#peak 117 #SUP 0.99 #QF 0.99)
&rst
ixpk= 117, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 794, 795,
&end
#
# 52 LYS+ HN 54 ARG+ HN 4.68 (#peak 132 #SUP 0.96 #QF 0.96)
&rst
ixpk= 132, nxpk= 0, iat= 868, 904, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 52 LYS+ HN 52 LYS+ HB2 3.64 (#peak 137 #SUP 0.99 #QF 0.99)
&rst
ixpk= 137, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 52 LYS+ HN 52 LYS+ HG3 4.19 (#peak 140 #SUP 0.97 #QF 0.97)
&rst
ixpk= 140, nxpk= 0, iat= 868, 876, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 31 SER HA 35 GLU- HN 4.38 (#peak 147 #SUP 0.85 #QF 0.85)
&rst
ixpk= 147, nxpk= 0, iat= 512, 574, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 35 GLU- HN 35 GLU- HG3 3.99 (#peak 152 #SUP 0.66 #QF 0.66)
&rst
ixpk= 152, nxpk= 0, iat= 574, 582, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 35 GLU- HN 37 ALA QB 4.82 (#peak 154 #SUP 0.99 #QF 0.99)
&rst
ixpk= 154, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 612, 613, 614,
&end
#
# 35 GLU- HN 38 VAL QG2 4.27 (#peak 155 #SUP 0.99 #QF 0.99)
&rst
ixpk= 155, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 628, 629, 630,
&end
#
# 13 GLN HN 13 GLN QG 4.00 (#peak 164 #SUP 1.00)
&rst
ixpk= 164, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 211, 212,
&end
#
# 28 PRO HB2 32 THR HN 4.45 (#peak 167 #SUP 0.74 #QF 0.74)
&rst
ixpk= 167, nxpk= 0, iat= 474, 521, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 32 THR HN 32 THR QG2 3.97 (#peak 169 #SUP 0.99 #QF 0.99)
&rst
ixpk= 169, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 527, 528, 529,
&end
#
# 33 ARG+ HN 35 GLU- HN 4.05 (#peak 172 #SUP 0.97 #QF 0.97)
&rst
ixpk= 172, nxpk= 0, iat= 535, 574, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 28 PRO HB2 33 ARG+ HN 3.97 (#peak 178 #SUP 0.87 #QF 0.87)
&rst
ixpk= 178, nxpk= 0, iat= 474, 535, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 32 THR QG2 33 ARG+ HN 3.84 (#peak 180 #SUP 1.00)
&rst
ixpk= 180, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 527, 528, 529,
&end
#
# 20 ALA HN 22 PHE HN 4.37 (#peak 190 #SUP 0.95 #QF 0.95)
&rst
ixpk= 190, nxpk= 0, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 19 GLU- HG2 20 ALA HN 4.50 (#peak 195 #SUP 0.99 #QF 0.99)
&rst
ixpk= 195, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLU- HB3 20 ALA HN 3.94 (#peak 196 #SUP 0.97 #QF 0.97)
&rst
ixpk= 196, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 62 GLU- QB 63 GLU- HN 3.47 (#peak 201 #SUP 0.63 #QF 0.63)
&rst
ixpk= 201, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1082,1083,
&end
#
# 36 ILE HA 39 TRP HN 3.99 (#peak 206 #SUP 0.84 #QF 0.84)
&rst
ixpk= 206, nxpk= 0, iat= 591, 634, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 41 ASN HA 42 LEU HN 3.37 (#peak 214 #SUP 0.99 #QF 0.99)
&rst
ixpk= 214, nxpk= 0, iat= 674, 686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 41 ASN HB3 42 LEU HN 3.98 (#peak 217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 217, nxpk= 0, iat= 677, 686, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 55 ARG+ HN 55 ARG+ HB3 3.69 (#peak 218 #SUP 0.66 #QF 0.66)
&rst
ixpk= 218, nxpk= 0, iat= 928, 933, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 42 LEU HN 42 LEU QD1 4.03 (#peak 219 #SUP 0.95 #QF 0.95)
&rst
ixpk= 219, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 695, 696, 697,
&end
#
# 57 LYS+ HN 58 TRP HN 3.24 (#peak 220 #SUP 0.87 #QF 0.87)
&rst
ixpk= 220, nxpk= 0, iat= 962, 984, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 54 ARG+ HA 57 LYS+ HN 4.16 (#peak 223 #SUP 0.66 #QF 0.66)
&rst
ixpk= 223, nxpk= 0, iat= 906, 962, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 57 LYS+ HN 57 LYS+ HB2 3.65 (#peak 224 #SUP 0.97 #QF 0.97)
&rst
ixpk= 224, nxpk= 0, iat= 962, 966, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 47 VAL HN 50 TRP HN 5.24 (#peak 228 #SUP 0.90 #QF 0.76)
&rst
ixpk= 228, nxpk= 0, iat= 768, 824, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 44 GLU- HA 47 VAL HN 3.76 (#peak 232 #SUP 0.95 #QF 0.95)
&rst
ixpk= 232, nxpk= 0, iat= 721, 768, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 46 ARG+ HB3 47 VAL HN 4.10 (#peak 235 #SUP 0.91 #QF 0.91)
&rst
ixpk= 235, nxpk= 0, iat= 749, 768, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 VAL HN 47 VAL QG1 3.83 (#peak 236 #SUP 0.99 #QF 0.99)
&rst
ixpk= 236, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 774, 775, 776,
&end
#
# 9 HIS HN 9 HIS HB3 3.82 (#peak 244 #SUP 0.83 #QF 0.83)
&rst
ixpk= 244, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 8 THR QG2 9 HIS HN 3.65 (#peak 245 #SUP 0.81 #QF 0.81)
&rst
ixpk= 245, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 134, 135, 136,
&end
#
# 9 HIS HA 10 PHE HN 3.10 (#peak 246 #SUP 0.71 #QF 0.71)
&rst
ixpk= 246, nxpk= 0, iat= 144, 159, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 28 PRO HB3 29 ASP- HN 3.73 (#peak 251 #SUP 0.98 #QF 0.98)
&rst
ixpk= 251, nxpk= 0, iat= 475, 481, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 29 ASP- HN 33 ARG+ HN 4.66 (#peak 252 #SUP 0.99 #QF 0.99)
&rst
ixpk= 252, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 38 VAL QG1 39 TRP HN 3.65 (#peak 259 #SUP 1.00)
&rst
ixpk= 259, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 624, 625, 626,
&end
#
# 39 TRP HN 39 TRP HB2 3.53 (#peak 262 #SUP 0.99 #QF 0.99)
&rst
ixpk= 262, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 50 TRP HE3 54 ARG+ HN 4.58 (#peak 264 #SUP 0.57 #QF 0.57)
&rst
ixpk= 264, nxpk= 0, iat= 843, 904, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 8 THR HN 8 THR QG2 4.53 (#peak 283 #SUP 0.91 #QF 0.91)
&rst
ixpk= 283, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 134, 135, 136,
&end
#
# 10 PHE HN 10 PHE QD 4.36 (#peak 284 #SUP 0.94 #QF 0.94)
&rst
ixpk= 284, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 167, 175,
&end
#
# 18 LEU HN 36 ILE QG2 4.70 (#peak 285 #SUP 0.98 #QF 0.98)
&rst
ixpk= 285, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 595, 596, 597,
&end
#
# 18 LEU HN 20 ALA QB 4.81 (#peak 287 #SUP 0.90 #QF 0.90)
&rst
ixpk= 287, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 327, 328, 329,
&end
#
# 19 GLU- HN 22 PHE HN 5.08 (#peak 293 #SUP 1.00 #QF 0.99)
&rst
ixpk= 293, nxpk= 0, iat= 308, 347, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 PHE HN 25 ASN HN 5.38 (#peak 293 #SUP 1.00 #QF 0.99)
&rst
ixpk= 293, nxpk= 0, iat= 347, 408, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 26 ARG+ HN 26 ARG+ HD3 4.51 (#peak 294 #SUP 0.96 #QF 0.96)
&rst
ixpk= 294, nxpk= 0, iat= 422, 433, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 26 ARG+ HN 27 TYR QD 4.29 (#peak 295 #SUP 0.95 #QF 0.95)
&rst
ixpk= 295, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 454, 463,
&end
#
# 25 ASN HN 26 ARG+ HN 4.55 (#peak 296 #SUP 0.83 #QF 0.83)
&rst
ixpk= 296, nxpk= 0, iat= 408, 422, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 29 ASP- HN 30 MET HN 4.84 (#peak 297 #SUP 0.86 #QF 0.86)
&rst
ixpk= 297, nxpk= 0, iat= 481, 493, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 29 ASP- HN 32 THR HA 4.75 (#peak 299 #SUP 0.90 #QF 0.90)
&rst
ixpk= 299, nxpk= 0, iat= 481, 523, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 ARG+ HN 33 ARG+ HD3 5.33 (#peak 301 #SUP 0.95 #QF 0.95)
&rst
ixpk= 301, nxpk= 0, iat= 535, 546, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 35 GLU- HN 36 ILE QD1 5.01 (#peak 303 #SUP 0.92 #QF 0.92)
&rst
ixpk= 303, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 602, 603, 604,
&end
#
# 36 ILE QG2 37 ALA HN 3.55 (#peak 306 #SUP 0.98 #QF 0.98)
&rst
ixpk= 306, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 595, 596, 597,
&end
#
# 35 GLU- HB3 37 ALA HN 5.50 (#peak 307 #SUP 0.97 #QF 0.97)
&rst
ixpk= 307, nxpk= 0, iat= 579, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HN 42 LEU HB2 4.96 (#peak 308 #SUP 0.95 #QF 0.95)
&rst
ixpk= 308, nxpk= 0, iat= 608, 690, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 37 ALA HN 40 THR HG1 4.60 (#peak 311 #SUP 0.96 #QF 0.96)
&rst
ixpk= 311, nxpk= 0, iat= 608, 668, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 ALA HN 40 THR HN 4.82 (#peak 312 #SUP 0.90 #QF 0.90)
&rst
ixpk= 312, nxpk= 0, iat= 608, 658, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 36 ILE HN 37 ALA HN 3.86 (#peak 313 #SUP 0.98 #QF 0.98)
&rst
ixpk= 313, nxpk= 0, iat= 589, 608, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 ALA QB 39 TRP HN 4.97 (#peak 314 #SUP 1.00)
&rst
ixpk= 314, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 612, 613, 614,
&end
#
# 35 GLU- HB3 39 TRP HN 5.25 (#peak 315 #SUP 0.96 #QF 0.96)
&rst
ixpk= 315, nxpk= 0, iat= 579, 634, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 39 TRP HN 40 THR HA 5.32 (#peak 316 #SUP 0.78 #QF 0.78)
&rst
ixpk= 316, nxpk= 0, iat= 634, 660, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 39 TRP HN 39 TRP HE3 4.90 (#peak 317 #SUP 0.99 #QF 0.99)
&rst
ixpk= 317, nxpk= 0, iat= 634, 653, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 41 ASN HB2 42 LEU HN 4.31 (#peak 327 #SUP 1.00)
&rst
ixpk= 327, nxpk= 0, iat= 676, 686, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 38 VAL HA 42 LEU HN 5.13 (#peak 329 #SUP 0.99 #QF 0.99)
&rst
ixpk= 329, nxpk= 0, iat= 620, 686, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 43 THR HN 47 VAL HB 5.50 (#peak 331 #SUP 1.00)
&rst
ixpk= 331, nxpk= 0, iat= 705, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 THR HN 46 ARG+ HD3 5.50 (#peak 333 #SUP 0.94 #QF 0.78)
&rst
ixpk= 333, nxpk= 0, iat= 705, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 THR HN 46 ARG+ HA 5.50 (#peak 334 #SUP 0.69 #QF 0.69)
&rst
ixpk= 334, nxpk= 0, iat= 705, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU- HN 45 ALA QB 4.75 (#peak 337 #SUP 0.96 #QF 0.96)
&rst
ixpk= 337, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 738, 739, 740,
&end
#
# 44 GLU- HN 44 GLU- HG3 4.64 (#peak 338 #SUP 0.96 #QF 0.96)
&rst
ixpk= 338, nxpk= 0, iat= 719, 727, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 ARG+ HG3 47 VAL HN 5.42 (#peak 342 #SUP 0.99 #QF 0.99)
&rst
ixpk= 342, nxpk= 0, iat= 752, 768, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 45 ALA QB 49 VAL HN 5.19 (#peak 348 #SUP 0.93 #QF 0.70)
&rst
ixpk= 348, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 738, 739, 740,
&end
#
# 46 ARG+ HB3 50 TRP HN 5.24 (#peak 349 #SUP 0.87 #QF 0.87)
&rst
ixpk= 349, nxpk= 0, iat= 749, 824, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 52 LYS+ HN 52 LYS+ HG2 4.19 (#peak 351 #SUP 0.99 #QF 0.94)
&rst
ixpk= 351, nxpk= 0, iat= 868, 875, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 52 LYS+ HN 53 ASN HB2 5.06 (#peak 352 #SUP 0.93 #QF 0.93)
&rst
ixpk= 352, nxpk= 0, iat= 868, 894, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 50 TRP HN 52 LYS+ HN 5.17 (#peak 354 #SUP 0.99 #QF 0.99)
&rst
ixpk= 354, nxpk= 0, iat= 824, 868, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 56 ALA HN 57 LYS+ HA 5.45 (#peak 359 #SUP 0.96 #QF 0.96)
&rst
ixpk= 359, nxpk= 0, iat= 952, 964, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 57 LYS+ HN 57 LYS+ HG3 4.71 (#peak 362 #SUP 0.98 #QF 0.47)
&rst
ixpk= 362, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 57 LYS+ HN 60 LYS+ QD 5.50 (#peak 364 #SUP 0.94 #QF 0.90)
&rst
ixpk= 364, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1042,1043,
&end
#
# 57 LYS+ HN 57 LYS+ QE 5.10 (#peak 365 #SUP 0.66 #QF 0.66)
&rst
ixpk= 365, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 975, 976,
&end
#
# 57 LYS+ HN 59 ARG+ HN 4.98 (#peak 367 #SUP 0.55 #QF 0.55)
&rst
ixpk= 367, nxpk= 0, iat= 962,1008, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 58 TRP HA 63 GLU- HN 5.50 (#peak 369 #SUP 0.96 #QF 0.43)
&rst
ixpk= 369, nxpk= 0, iat= 986,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLU- HN 64 PHE HA 5.50 (#peak 369 #SUP 0.96 #QF 0.43)
&rst
ixpk= 369, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE HG12 66 VAL HN 5.49 (#peak 370 #SUP 0.85 #QF 0.85)
&rst
ixpk= 370, nxpk= 0, iat=1138,1147, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 65 ILE HG13 66 VAL HN 5.49 (#peak 371 #SUP 0.89 #QF 0.89)
&rst
ixpk= 371, nxpk= 0, iat=1139,1147, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 3 GLN QG 4 ARG+ HN 5.14 (#peak 372 #SUP 0.99 #QF 0.99)
&rst
ixpk= 372, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 29, 30,
&end
#
# 4 ARG+ QD 5 ARG+ HN 4.92 (#peak 374 #SUP 0.84 #QF 0.68)
&rst
ixpk= 374, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 49, 50,
&end
#
# 5 ARG+ HN 5 ARG+ QD 5.32 (#peak 374 #SUP 0.84 #QF 0.68)
&rst
ixpk= 374, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 73, 74,
&end
#
# 6 GLN HN 7 ARG+ HN 4.20 (#peak 375 #SUP 0.85 #QF 0.85)
&rst
ixpk= 375, nxpk= 0, iat= 87, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 GLU- HN 17 GLU- HG2 4.09 (#peak 2 #SUP 0.69 #QF 0.69)
&rst
ixpk= 2, nxpk= 0, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 GLU- HN 40 THR QG2 3.88 (#peak 3 #SUP 0.92 #QF 0.92)
&rst
ixpk= 3, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 664, 665, 666,
&end
#
# 36 ILE HN 36 ILE QG2 3.76 (#peak 7 #SUP 0.97 #QF 0.97)
&rst
ixpk= 7, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 595, 596, 597,
&end
#
# 36 ILE HN 36 ILE QD1 3.72 (#peak 8 #SUP 0.97 #QF 0.97)
&rst
ixpk= 8, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 602, 603, 604,
&end
#
# 43 THR HB 45 ALA HN 3.37 (#peak 13 #SUP 0.71 #QF 0.71)
&rst
ixpk= 13, nxpk= 0, iat= 709, 734, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 44 GLU- HG2 45 ALA HN 4.60 (#peak 16 #SUP 0.88 #QF 0.88)
&rst
ixpk= 16, nxpk= 0, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 GLU- HB3 36 ILE HN 3.70 (#peak 18 #SUP 0.98 #QF 0.98)
&rst
ixpk= 18, nxpk= 0, iat= 579, 589, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 43 THR QG2 45 ALA HN 3.96 (#peak 20 #SUP 0.95 #QF 0.95)
&rst
ixpk= 20, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 711, 712, 713,
&end
#
# 45 ALA HN 45 ALA QB 2.96 (#peak 21 #SUP 0.99 #QF 0.99)
&rst
ixpk= 21, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 738, 739, 740,
&end
#
# 58 TRP HA 62 GLU- HN 4.41 (#peak 22 #SUP 0.92 #QF 0.92)
&rst
ixpk= 22, nxpk= 0, iat= 986,1078, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 59 ARG+ HA 62 GLU- HN 4.71 (#peak 25 #SUP 0.98 #QF 0.98)
&rst
ixpk= 25, nxpk= 0, iat=1010,1078, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 62 GLU- HN 62 GLU- QG 3.27 (#peak 26 #SUP 0.79 #QF 0.79)
&rst
ixpk= 26, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1085,1086,
&end
#
# 61 ARG+ QG 62 GLU- HN 4.22 (#peak 28 #SUP 0.94 #QF 0.94)
&rst
ixpk= 28, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1061,1062,
&end
#
# 19 GLU- HN 20 ALA HN 3.42 (#peak 29 #SUP 0.93 #QF 0.93)
&rst
ixpk= 29, nxpk= 0, iat= 308, 323, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 23 GLN HA 25 ASN HN 4.48 (#peak 34 #SUP 0.96 #QF 0.94)
&rst
ixpk= 34, nxpk= 0, iat= 369, 408, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 25 ASN HN 26 ARG+ HA 4.92 (#peak 34 #SUP 0.96 #QF 0.94)
&rst
ixpk= 34, nxpk= 0, iat= 408, 424, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 15 LEU HA 19 GLU- HN 4.11 (#peak 35 #SUP 0.96 #QF 0.96)
&rst
ixpk= 35, nxpk= 0, iat= 240, 308, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 25 ASN HN 25 ASN QB 3.20 (#peak 38 #SUP 0.97 #QF 0.97)
&rst
ixpk= 38, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 412, 413,
&end
#
# 19 GLU- HN 19 GLU- HG3 3.75 (#peak 39 #SUP 0.95 #QF 0.95)
&rst
ixpk= 39, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 GLU- HN 19 GLU- HG2 3.75 (#peak 40 #SUP 0.98 #QF 0.98)
&rst
ixpk= 40, nxpk= 0, iat= 308, 315, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 GLU- HN 19 GLU- HB3 3.29 (#peak 41 #SUP 0.92 #QF 0.92)
&rst
ixpk= 41, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 13 GLN HB2 14 GLN HN 3.99 (#peak 54 #SUP 0.94 #QF 0.94)
&rst
ixpk= 54, nxpk= 0, iat= 208, 221, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 GLN HB3 14 GLN HN 3.99 (#peak 55 #SUP 0.95 #QF 0.95)
&rst
ixpk= 55, nxpk= 0, iat= 209, 221, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 11 THR QG2 14 GLN HN 4.06 (#peak 57 #SUP 0.99 #QF 0.99)
&rst
ixpk= 57, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 185, 186, 187,
&end
#
# 29 ASP- HA 30 MET HN 3.29 (#peak 61 #SUP 0.99 #QF 0.89)
&rst
ixpk= 61, nxpk= 0, iat= 483, 493, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 49 VAL HA 53 ASN HN 4.05 (#peak 63 #SUP 0.83 #QF 0.83)
&rst
ixpk= 63, nxpk= 0, iat= 810, 890, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 53 ASN HN 53 ASN HB2 3.17 (#peak 65 #SUP 0.91 #QF 0.91)
&rst
ixpk= 65, nxpk= 0, iat= 890, 894, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 40 THR HG1 41 ASN HN 4.15 (#peak 73 #SUP 0.98 #QF 0.98)
&rst
ixpk= 73, nxpk= 0, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 38 VAL HA 41 ASN HN 4.17 (#peak 74 #SUP 0.93 #QF 0.93)
&rst
ixpk= 74, nxpk= 0, iat= 620, 672, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 37 ALA HA 41 ASN HN 4.56 (#peak 75 #SUP 0.99 #QF 0.99)
&rst
ixpk= 75, nxpk= 0, iat= 610, 672, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 39 TRP HB2 41 ASN HN 4.57 (#peak 76 #SUP 0.81 #QF 0.81)
&rst
ixpk= 76, nxpk= 0, iat= 638, 672, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 41 ASN HN 41 ASN HB3 4.00 (#peak 77 #SUP 1.00)
&rst
ixpk= 77, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 ASN HN 42 LEU HB2 5.07 (#peak 79 #SUP 0.96 #QF 0.70)
&rst
ixpk= 79, nxpk= 0, iat= 672, 690, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 40 THR QG2 41 ASN HN 4.02 (#peak 80 #SUP 1.00)
&rst
ixpk= 80, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 664, 665, 666,
&end
#
# 38 VAL QG1 41 ASN HN 4.78 (#peak 81 #SUP 0.75 #QF 0.75)
&rst
ixpk= 81, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 624, 625, 626,
&end
#
# 66 VAL HA 67 THR HN 3.17 (#peak 83 #SUP 0.88 #QF 0.88)
&rst
ixpk= 83, nxpk= 0, iat=1149,1163, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 67 THR HN 67 THR QG2 4.51 (#peak 85 #SUP 0.97 #QF 0.97)
&rst
ixpk= 85, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1169,1170,1171,
&end
#
# 64 PHE HN 64 PHE QB 3.56 (#peak 91 #SUP 0.90 #QF 0.90)
&rst
ixpk= 91, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1112,1113,
&end
#
# 62 GLU- QB 64 PHE HN 4.10 (#peak 92 #SUP 0.80 #QF 0.56)
&rst
ixpk= 92, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1082,1083,
&end
#
# 31 SER HA 34 GLU- HN 3.87 (#peak 95 #SUP 0.95 #QF 0.95)
&rst
ixpk= 95, nxpk= 0, iat= 512, 559, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 MET HA 34 GLU- HN 4.32 (#peak 97 #SUP 1.00 #QF 0.76)
&rst
ixpk= 97, nxpk= 0, iat= 495, 559, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 34 GLU- HN 34 GLU- HG3 3.68 (#peak 101 #SUP 0.72 #QF 0.72)
&rst
ixpk= 101, nxpk= 0, iat= 559, 567, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 34 GLU- HN 37 ALA QB 4.83 (#peak 103 #SUP 0.96 #QF 0.96)
&rst
ixpk= 103, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 612, 613, 614,
&end
#
# 32 THR QG2 34 GLU- HN 5.50 (#peak 104 #SUP 1.00 #QF 0.99)
&rst
ixpk= 104, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 527, 528, 529,
&end
#
# 34 GLU- HN 47 VAL QG1 5.50 (#peak 104 #SUP 1.00 #QF 0.99)
&rst
ixpk= 104, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 774, 775, 776,
&end
#
# 51 PHE HN 51 PHE QD 3.54 (#peak 107 #SUP 0.89 #QF 0.89)
&rst
ixpk= 107, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 856, 864,
&end
#
# 50 TRP HE3 51 PHE HN 3.99 (#peak 108 #SUP 0.80 #QF 0.80)
&rst
ixpk= 108, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 48 ARG+ HA 51 PHE HN 3.78 (#peak 109 #SUP 0.59 #QF 0.59)
&rst
ixpk= 109, nxpk= 0, iat= 786, 848, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 60 LYS+ HN 61 ARG+ HN 3.61 (#peak 114 #SUP 0.97 #QF 0.97)
&rst
ixpk= 114, nxpk= 0, iat=1032,1054, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 56 ALA HA 60 LYS+ HN 4.40 (#peak 115 #SUP 0.95 #QF 0.95)
&rst
ixpk= 115, nxpk= 0, iat= 954,1032, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 35 GLU- HA 38 VAL HN 3.47 (#peak 117 #SUP 0.89 #QF 0.89)
&rst
ixpk= 117, nxpk= 0, iat= 576, 618, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 38 VAL HN 38 VAL HB 3.25 (#peak 120 #SUP 0.97 #QF 0.97)
&rst
ixpk= 120, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 60 LYS+ HN 60 LYS+ QB 3.06 (#peak 121 #SUP 0.99 #QF 0.44)
&rst
ixpk= 121, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1036,1037,
&end
#
# 60 LYS+ HN 60 LYS+ HG2 3.99 (#peak 122 #SUP 0.95 #QF 0.95)
&rst
ixpk= 122, nxpk= 0, iat=1032,1039, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 37 ALA QB 38 VAL HN 3.44 (#peak 124 #SUP 0.98 #QF 0.98)
&rst
ixpk= 124, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 612, 613, 614,
&end
#
# 38 VAL HN 38 VAL QG2 3.08 (#peak 125 #SUP 0.97 #QF 0.97)
&rst
ixpk= 125, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 628, 629, 630,
&end
#
# 16 GLN HN 16 GLN HB3 3.67 (#peak 135 #SUP 1.00)
&rst
ixpk= 135, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 56 ALA HA 59 ARG+ HN 3.81 (#peak 140 #SUP 0.76 #QF 0.76)
&rst
ixpk= 140, nxpk= 0, iat= 954,1008, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 58 TRP HB3 59 ARG+ HN 4.12 (#peak 141 #SUP 0.93 #QF 0.93)
&rst
ixpk= 141, nxpk= 0, iat= 989,1008, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 GLN HN 15 LEU HN 3.79 (#peak 144 #SUP 0.99 #QF 0.99)
&rst
ixpk= 144, nxpk= 0, iat= 221, 238, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 12 SER HA 15 LEU HN 3.97 (#peak 145 #SUP 0.96 #QF 0.96)
&rst
ixpk= 145, nxpk= 0, iat= 195, 238, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 15 LEU HN 15 LEU QD1 3.92 (#peak 153 #SUP 1.00)
&rst
ixpk= 153, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 247, 248, 249,
&end
#
# 15 LEU HN 15 LEU QD2 3.92 (#peak 154 #SUP 0.96 #QF 0.96)
&rst
ixpk= 154, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 251, 252, 253,
&end
#
# 60 LYS+ QB 61 ARG+ HN 3.32 (#peak 158 #SUP 0.82 #QF 0.82)
&rst
ixpk= 158, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1036,1037,
&end
#
# 61 ARG+ HN 61 ARG+ HB3 3.77 (#peak 159 #SUP 0.59 #QF 0.59)
&rst
ixpk= 159, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 61 ARG+ HN 61 ARG+ QG 4.04 (#peak 160 #SUP 0.96 #QF 0.96)
&rst
ixpk= 160, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1061,1062,
&end
#
# 43 THR HB 46 ARG+ HN 4.29 (#peak 164 #SUP 0.95 #QF 0.41)
&rst
ixpk= 164, nxpk= 0, iat= 709, 744, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 46 ARG+ HN 46 ARG+ HG2 3.36 (#peak 168 #SUP 0.71 #QF 0.71)
&rst
ixpk= 168, nxpk= 0, iat= 744, 751, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 46 ARG+ HN 46 ARG+ HG3 3.68 (#peak 169 #SUP 0.91 #QF 0.91)
&rst
ixpk= 169, nxpk= 0, iat= 744, 752, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 45 ALA QB 46 ARG+ HN 3.41 (#peak 170 #SUP 0.96 #QF 0.96)
&rst
ixpk= 170, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 738, 739, 740,
&end
#
# 37 ALA QB 46 ARG+ HN 5.14 (#peak 171 #SUP 0.94 #QF 0.33)
&rst
ixpk= 171, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 612, 613, 614,
&end
#
# 22 PHE HN 24 ARG+ HN 4.40 (#peak 172 #SUP 0.97 #QF 0.97)
&rst
ixpk= 172, nxpk= 0, iat= 347, 384, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 21 THR HA 24 ARG+ HN 3.91 (#peak 176 #SUP 0.92 #QF 0.92)
&rst
ixpk= 176, nxpk= 0, iat= 335, 384, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 24 ARG+ HN 24 ARG+ QD 4.20 (#peak 178 #SUP 0.90 #QF 0.90)
&rst
ixpk= 178, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 394, 395,
&end
#
# 23 GLN HB2 24 ARG+ HN 4.22 (#peak 179 #SUP 0.99 #QF 0.99)
&rst
ixpk= 179, nxpk= 0, iat= 371, 384, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 27 TYR HN 27 TYR QD 3.54 (#peak 185 #SUP 0.95 #QF 0.95)
&rst
ixpk= 185, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 454, 463,
&end
#
# 25 ASN HA 27 TYR HN 3.70 (#peak 187 #SUP 0.96 #QF 0.96)
&rst
ixpk= 187, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 ARG+ HB2 27 TYR HN 4.70 (#peak 191 #SUP 0.91 #QF 0.91)
&rst
ixpk= 191, nxpk= 0, iat= 426, 446, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 GLN HA 23 GLN HE21 4.34 (#peak 198 #SUP 0.96 #QF 0.96)
&rst
ixpk= 198, nxpk= 0, iat= 369, 379, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 19 GLU- HG3 21 THR HN 5.00 (#peak 201 #SUP 0.96 #QF 0.96)
&rst
ixpk= 201, nxpk= 0, iat= 316, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ALA QB 21 THR HN 3.14 (#peak 203 #SUP 0.84 #QF 0.84)
&rst
ixpk= 203, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 327, 328, 329,
&end
#
# 10 PHE HA 11 THR HN 3.46 (#peak 205 #SUP 0.97 #QF 0.97)
&rst
ixpk= 205, nxpk= 0, iat= 161, 179, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 11 THR HN 11 THR QG2 3.26 (#peak 208 #SUP 0.86 #QF 0.86)
&rst
ixpk= 208, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 185, 186, 187,
&end
#
# 31 SER HN 33 ARG+ HN 4.20 (#peak 209 #SUP 0.92 #QF 0.92)
&rst
ixpk= 209, nxpk= 0, iat= 510, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 ASP- HA 31 SER HN 4.65 (#peak 211 #SUP 0.99 #QF 0.99)
&rst
ixpk= 211, nxpk= 0, iat= 483, 510, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 31 SER HN 31 SER QB 2.98 (#peak 213 #SUP 0.90 #QF 0.90)
&rst
ixpk= 213, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 514, 515,
&end
#
# 30 MET HB2 31 SER HN 4.23 (#peak 216 #SUP 0.99 #QF 0.99)
&rst
ixpk= 216, nxpk= 0, iat= 497, 510, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 30 MET HB3 31 SER HN 4.23 (#peak 217 #SUP 0.91 #QF 0.91)
&rst
ixpk= 217, nxpk= 0, iat= 498, 510, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 22 PHE QD 23 GLN HN 4.12 (#peak 221 #SUP 0.99 #QF 0.99)
&rst
ixpk= 221, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 355, 363,
&end
#
# 20 ALA HA 23 GLN HN 3.90 (#peak 223 #SUP 0.96 #QF 0.96)
&rst
ixpk= 223, nxpk= 0, iat= 325, 367, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 23 GLN HN 23 GLN HG2 3.74 (#peak 227 #SUP 0.98 #QF 0.98)
&rst
ixpk= 227, nxpk= 0, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 23 GLN HN 23 GLN HB2 3.67 (#peak 228 #SUP 0.99 #QF 0.99)
&rst
ixpk= 228, nxpk= 0, iat= 367, 371, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 23 GLN HN 23 GLN HB3 3.67 (#peak 229 #SUP 1.00)
&rst
ixpk= 229, nxpk= 0, iat= 367, 372, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 66 VAL QG1 68 ASP- HN 5.33 (#peak 232 #SUP 0.86 #QF 0.41)
&rst
ixpk= 232, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1153,1154,1155,
&end
#
# 15 LEU QD2 16 GLN HN 4.68 (#peak 234 #SUP 0.98 #QF 0.98)
&rst
ixpk= 234, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 251, 252, 253,
&end
#
# 60 LYS+ HN 62 GLU- HN 4.05 (#peak 235 #SUP 0.69 #QF 0.69)
&rst
ixpk= 235, nxpk= 0, iat=1032,1078, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 23 GLN HN 25 ASN HN 4.00 (#peak 238 #SUP 0.95 #QF 0.95)
&rst
ixpk= 238, nxpk= 0, iat= 367, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 LEU QD2 50 TRP HE1 4.18 (#peak 244 #SUP 0.95 #QF 0.95)
&rst
ixpk= 244, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 251, 252, 253,
&end
#
# 38 VAL HB 39 TRP HE1 4.77 (#peak 248 #SUP 0.72 #QF 0.72)
&rst
ixpk= 248, nxpk= 0, iat= 622, 644, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 35 GLU- HB3 39 TRP HE1 4.22 (#peak 249 #SUP 0.94 #QF 0.94)
&rst
ixpk= 249, nxpk= 0, iat= 579, 644, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 41 ASN HA 41 ASN HD22 4.95 (#peak 259 #SUP 0.89 #QF 0.89)
&rst
ixpk= 259, nxpk= 0, iat= 674, 682, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 25 ASN HD22 28 PRO HA 3.98 (#peak 266 #SUP 0.93 #QF 0.93)
&rst
ixpk= 266, nxpk= 0, iat= 418, 477, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 ASN QB 25 ASN HD21 3.37 (#peak 267 #SUP 1.00)
&rst
ixpk= 267, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 412, 413,
&end
#
# 25 ASN QB 25 ASN HD22 3.37 (#peak 268 #SUP 0.99 #QF 0.99)
&rst
ixpk= 268, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 412, 413,
&end
#
# 25 ASN HD21 32 THR QG2 4.22 (#peak 269 #SUP 1.00)
&rst
ixpk= 269, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 527, 528, 529,
&end
#
# 23 GLN HN 23 GLN HG3 3.74 (#peak 281 #SUP 0.94 #QF 0.94)
&rst
ixpk= 281, nxpk= 0, iat= 367, 375, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 ARG+ HN 60 LYS+ HN 3.46 (#peak 285 #SUP 0.96 #QF 0.96)
&rst
ixpk= 285, nxpk= 0, iat=1008,1032, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 33 ARG+ HA 36 ILE HN 4.19 (#peak 288 #SUP 0.99 #QF 0.99)
&rst
ixpk= 288, nxpk= 0, iat= 537, 589, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 44 GLU- HA 46 ARG+ HN 4.92 (#peak 289 #SUP 0.97 #QF 0.97)
&rst
ixpk= 289, nxpk= 0, iat= 721, 744, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 46 ARG+ HN 46 ARG+ HD2 4.20 (#peak 291 #SUP 0.94 #QF 0.94)
&rst
ixpk= 291, nxpk= 0, iat= 744, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 GLN HA 23 GLN HE22 5.13 (#peak 295 #SUP 0.93 #QF 0.93)
&rst
ixpk= 295, nxpk= 0, iat= 369, 380, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 19 GLU- HN 50 TRP HH2 4.33 (#peak 296 #SUP 0.89 #QF 0.89)
&rst
ixpk= 296, nxpk= 0, iat= 308, 839, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 19 GLU- HN 20 ALA QB 4.27 (#peak 297 #SUP 1.00)
&rst
ixpk= 297, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 327, 328, 329,
&end
#
# 16 GLN HE21 19 GLU- HB3 5.50 (#peak 304 #SUP 0.90 #QF 0.90)
&rst
ixpk= 304, nxpk= 0, iat= 269, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HB2 11 THR HN 4.33 (#peak 314 #SUP 0.91 #QF 0.91)
&rst
ixpk= 314, nxpk= 0, iat= 163, 179, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 13 GLN HE21 40 THR QG2 5.50 (#peak 315 #SUP 0.63 #QF 0.63)
&rst
ixpk= 315, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
&end
#
# 12 SER QB 13 GLN HE21 5.49 (#peak 316 #SUP 0.56 #QF 0.56)
&rst
ixpk= 316, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 197, 198,
&end
#
# 14 GLN HN 15 LEU HB2 5.48 (#peak 318 #SUP 0.94 #QF 0.94)
&rst
ixpk= 318, nxpk= 0, iat= 221, 242, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 11 THR HA 14 GLN HN 5.12 (#peak 320 #SUP 0.99 #QF 0.99)
&rst
ixpk= 320, nxpk= 0, iat= 181, 221, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 14 GLN HN 40 THR HB 4.91 (#peak 321 #SUP 0.88 #QF 0.88)
&rst
ixpk= 321, nxpk= 0, iat= 221, 662, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 14 GLN HG2 15 LEU HN 5.22 (#peak 325 #SUP 0.97 #QF 0.81)
&rst
ixpk= 325, nxpk= 0, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 14 GLN HG3 15 LEU HN 5.22 (#peak 325 #SUP 0.97 #QF 0.81)
&rst
ixpk= 325, nxpk= 0, iat= 229, 238, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 12 SER HN 15 LEU HN 5.50 (#peak 327 #SUP 0.99 #QF 0.93)
&rst
ixpk= 327, nxpk= 0, iat= 193, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLN HN 40 THR QG2 5.50 (#peak 328 #SUP 0.93 #QF 0.93)
&rst
ixpk= 328, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
&end
#
# 15 LEU HG 16 GLN HN 5.26 (#peak 330 #SUP 0.99 #QF 0.99)
&rst
ixpk= 330, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 14 GLN HA 16 GLN HN 5.01 (#peak 332 #SUP 0.98 #QF 0.98)
&rst
ixpk= 332, nxpk= 0, iat= 223, 257, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 16 GLN HA 16 GLN HE21 4.65 (#peak 334 #SUP 0.97 #QF 0.97)
&rst
ixpk= 334, nxpk= 0, iat= 259, 269, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 16 GLN HE21 17 GLU- HA 5.50 (#peak 335 #SUP 0.89 #QF 0.63)
&rst
ixpk= 335, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLN HE21 20 ALA HA 5.50 (#peak 335 #SUP 0.89 #QF 0.63)
&rst
ixpk= 335, nxpk= 0, iat= 269, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU- HN 20 ALA QB 4.46 (#peak 340 #SUP 0.99 #QF 0.99)
&rst
ixpk= 340, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 327, 328, 329,
&end
#
# 18 LEU HG 19 GLU- HN 5.09 (#peak 349 #SUP 0.97 #QF 0.97)
&rst
ixpk= 349, nxpk= 0, iat= 296, 308, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 17 GLU- HA 19 GLU- HN 4.83 (#peak 351 #SUP 1.00)
&rst
ixpk= 351, nxpk= 0, iat= 276, 308, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 19 GLU- HN 50 TRP HZ3 5.27 (#peak 353 #SUP 0.91 #QF 0.91)
&rst
ixpk= 353, nxpk= 0, iat= 308, 841, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 19 GLU- HN 50 TRP HZ2 4.50 (#peak 354 #SUP 0.98 #QF 0.98)
&rst
ixpk= 354, nxpk= 0, iat= 308, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 THR HN 36 ILE QD1 5.05 (#peak 357 #SUP 0.94 #QF 0.94)
&rst
ixpk= 357, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 602, 603, 604,
&end
#
# 21 THR HN 24 ARG+ QD 5.50 (#peak 359 #SUP 0.99 #QF 0.95)
&rst
ixpk= 359, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 394, 395,
&end
#
# 18 LEU HA 21 THR HN 4.39 (#peak 360 #SUP 0.94 #QF 0.94)
&rst
ixpk= 360, nxpk= 0, iat= 291, 333, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 THR HN 51 PHE QE 5.50 (#peak 362 #SUP 0.74 #QF 0.74)
&rst
ixpk= 362, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 862,
&end
#
# 20 ALA QB 23 GLN HN 4.83 (#peak 363 #SUP 0.93 #QF 0.93)
&rst
ixpk= 363, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 327, 328, 329,
&end
#
# 19 GLU- HB2 23 GLN HN 5.21 (#peak 364 #SUP 0.81 #QF 0.81)
&rst
ixpk= 364, nxpk= 0, iat= 312, 367, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 21 THR HB 23 GLN HN 5.50 (#peak 365 #SUP 0.92 #QF 0.92)
&rst
ixpk= 365, nxpk= 0, iat= 337, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLN HN 50 TRP HH2 5.50 (#peak 366 #SUP 0.77 #QF 0.77)
&rst
ixpk= 366, nxpk= 0, iat= 367, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR QG2 24 ARG+ HN 4.67 (#peak 368 #SUP 0.69 #QF 0.69)
&rst
ixpk= 368, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 340, 341,
&end
#
# 23 GLN HB3 24 ARG+ HN 4.22 (#peak 369 #SUP 1.00)
&rst
ixpk= 369, nxpk= 0, iat= 372, 384, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 ARG+ HN 24 ARG+ HG3 4.06 (#peak 370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 370, nxpk= 0, iat= 384, 392, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 ARG+ HN 24 ARG+ HG2 4.06 (#peak 371 #SUP 1.00)
&rst
ixpk= 371, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 ARG+ HN 25 ASN HA 5.13 (#peak 372 #SUP 0.78 #QF 0.78)
&rst
ixpk= 372, nxpk= 0, iat= 384, 410, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 27 TYR HN 28 PRO HG3 5.50 (#peak 378 #SUP 0.98 #QF 0.98)
&rst
ixpk= 378, nxpk= 0, iat= 446, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR HN 28 PRO HG2 5.50 (#peak 379 #SUP 0.84 #QF 0.84)
&rst
ixpk= 379, nxpk= 0, iat= 446, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR HN 27 TYR QE 4.63 (#peak 383 #SUP 0.92 #QF 0.92)
&rst
ixpk= 383, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 456, 461,
&end
#
# 31 SER HN 32 THR QG2 5.50 (#peak 385 #SUP 0.85 #QF 0.85)
&rst
ixpk= 385, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 527, 528, 529,
&end
#
# 33 ARG+ QG 34 GLU- HN 4.72 (#peak 387 #SUP 0.99 #QF 0.99)
&rst
ixpk= 387, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 542, 543,
&end
#
# 31 SER HN 34 GLU- HN 5.49 (#peak 388 #SUP 1.00 #QF 0.82)
&rst
ixpk= 388, nxpk= 0, iat= 510, 559, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 34 GLU- HN 36 ILE HN 5.50 (#peak 388 #SUP 1.00 #QF 0.82)
&rst
ixpk= 388, nxpk= 0, iat= 559, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLU- HB2 45 ALA HN 4.09 (#peak 390 #SUP 0.80 #QF 0.80)
&rst
ixpk= 390, nxpk= 0, iat= 723, 734, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 35 GLU- HA 39 TRP HE1 4.71 (#peak 393 #SUP 0.98 #QF 0.98)
&rst
ixpk= 393, nxpk= 0, iat= 576, 644, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 36 ILE HA 39 TRP HE1 5.37 (#peak 394 #SUP 0.89 #QF 0.89)
&rst
ixpk= 394, nxpk= 0, iat= 591, 644, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 39 TRP HB3 39 TRP HE1 5.28 (#peak 395 #SUP 0.97 #QF 0.97)
&rst
ixpk= 395, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 41 ASN HN 42 LEU HA 5.30 (#peak 397 #SUP 0.98 #QF 0.98)
&rst
ixpk= 397, nxpk= 0, iat= 672, 688, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 ALA HN 46 ARG+ HB2 5.49 (#peak 398 #SUP 0.92 #QF 0.85)
&rst
ixpk= 398, nxpk= 0, iat= 734, 748, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 46 ARG+ HN 47 VAL HA 5.49 (#peak 400 #SUP 0.87 #QF 0.87)
&rst
ixpk= 400, nxpk= 0, iat= 744, 770, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 43 THR HN 46 ARG+ HN 4.46 (#peak 401 #SUP 0.99 #QF 0.99)
&rst
ixpk= 401, nxpk= 0, iat= 705, 744, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 LEU HG 50 TRP HE1 5.20 (#peak 402 #SUP 0.96 #QF 0.96)
&rst
ixpk= 402, nxpk= 0, iat= 245, 834, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 15 LEU HA 50 TRP HE1 4.47 (#peak 404 #SUP 0.83 #QF 0.83)
&rst
ixpk= 404, nxpk= 0, iat= 240, 834, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 51 PHE HN 53 ASN HN 4.95 (#peak 408 #SUP 0.87 #QF 0.87)
&rst
ixpk= 408, nxpk= 0, iat= 848, 890, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 58 TRP HE1 62 GLU- QB 5.50 (#peak 412 #SUP 0.87 #QF 0.82)
&rst
ixpk= 412, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1082,1083,
&end
#
# 58 TRP HE1 59 ARG+ HN 5.50 (#peak 413 #SUP 0.99 #QF 0.99)
&rst
ixpk= 413, nxpk= 0, iat= 994,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ARG+ HA 61 ARG+ HN 4.72 (#peak 416 #SUP 0.95 #QF 0.95)
&rst
ixpk= 416, nxpk= 0, iat=1010,1054, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 59 ARG+ HN 61 ARG+ HN 4.83 (#peak 417 #SUP 0.76 #QF 0.76)
&rst
ixpk= 417, nxpk= 0, iat=1008,1054, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 63 GLU- HN 64 PHE HN 3.77 (#peak 419 #SUP 0.85 #QF 0.85)
&rst
ixpk= 419, nxpk= 0, iat=1093,1108, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 54 ARG+ HN 54 ARG+ HE 4.68 (#peak 2 #SUP 0.95 #QF 0.95)
&rst
ixpk= 2, nxpk= 0, iat= 904, 917, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 50 TRP HZ2 54 ARG+ HE 3.85 (#peak 3 #SUP 0.79 #QF 0.79)
&rst
ixpk= 3, nxpk= 0, iat= 837, 917, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 50 TRP HH2 54 ARG+ HE 3.94 (#peak 4 #SUP 0.75 #QF 0.75)
&rst
ixpk= 4, nxpk= 0, iat= 839, 917, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 54 ARG+ HG2 54 ARG+ HE 3.79 (#peak 5 #SUP 0.98 #QF 0.98)
&rst
ixpk= 5, nxpk= 0, iat= 911, 917, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 ARG+ HB2 54 ARG+ HE 4.31 (#peak 6 #SUP 0.88 #QF 0.88)
&rst
ixpk= 6, nxpk= 0, iat= 908, 917, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 54 ARG+ HG3 54 ARG+ HE 3.79 (#peak 7 #SUP 0.99 #QF 0.99)
&rst
ixpk= 7, nxpk= 0, iat= 912, 917, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 ARG+ HB3 54 ARG+ HE 4.31 (#peak 8 #SUP 0.95 #QF 0.95)
&rst
ixpk= 8, nxpk= 0, iat= 909, 917, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 33 ARG+ QG 33 ARG+ HE 4.07 (#peak 9 #SUP 0.95 #QF 0.95)
&rst
ixpk= 9, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 542, 543,
&end
#
# 33 ARG+ HE 47 VAL QG1 4.63 (#peak 10 #SUP 0.86 #QF 0.86)
&rst
ixpk= 10, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 774, 775, 776,
&end
#
# 55 ARG+ HN 55 ARG+ HE 5.50 (#peak 14 #SUP 0.88 #QF 0.22)
&rst
ixpk= 14, nxpk= 0, iat= 928, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 TRP HD1 59 ARG+ HN 5.12 (#peak 15 #SUP 0.98 #QF 0.59)
&rst
ixpk= 15, nxpk= 0, iat= 992,1008, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 26 ARG+ HN 26 ARG+ HE 5.50 (#peak 17 #SUP 0.85 #QF 0.85)
&rst
ixpk= 17, nxpk= 0, iat= 422, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ALA QB 46 ARG+ HE 5.49 (#peak 28 #SUP 0.98 #QF 0.97)
&rst
ixpk= 28, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 738, 739, 740,
&end
#
# 33 ARG+ HB2 33 ARG+ HE 3.63 (#peak 31 #SUP 0.71 #QF 0.71)
&rst
ixpk= 31, nxpk= 0, iat= 539, 548, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 ARG+ HB3 33 ARG+ HE 3.63 (#peak 33 #SUP 0.50 #QF 0.50)
&rst
ixpk= 33, nxpk= 0, iat= 540, 548, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 ARG+ HE 44 GLU- HA 5.00 (#peak 38 #SUP 0.72 #QF 0.72)
&rst
ixpk= 38, nxpk= 0, iat= 548, 721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ARG+ HE 48 ARG+ QD 4.30 (#peak 40 #SUP 0.88 #QF 0.88)
&rst
ixpk= 40, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 794, 795,
&end
#
# 30 MET HA 33 ARG+ HE 4.14 (#peak 41 #SUP 0.50 #QF 0.50)
&rst
ixpk= 41, nxpk= 0, iat= 495, 548, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 33 ARG+ HN 33 ARG+ HE 5.23 (#peak 42 #SUP 1.00)
&rst
ixpk= 42, nxpk= 0, iat= 535, 548, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 33 ARG+ HE 34 GLU- HN 5.34 (#peak 43 #SUP 0.72 #QF 0.72)
&rst
ixpk= 43, nxpk= 0, iat= 548, 559, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 33 ARG+ HE 48 ARG+ HE 4.49 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat= 548, 797, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 53 ASN HB3 54 ARG+ HE 5.28 (#peak 46 #SUP 0.59 #QF 0.59)
&rst
ixpk= 46, nxpk= 0, iat= 895, 917, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 54 ARG+ HA 54 ARG+ HE 3.85 (#peak 48 #SUP 0.82 #QF 0.82)
&rst
ixpk= 48, nxpk= 0, iat= 906, 917, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 19 GLU- HA 54 ARG+ HE 5.44 (#peak 49 #SUP 0.75 #QF 0.75)
&rst
ixpk= 49, nxpk= 0, iat= 310, 917, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 50 TRP HZ3 54 ARG+ HE 4.92 (#peak 50 #SUP 0.82 #QF 0.82)
&rst
ixpk= 50, nxpk= 0, iat= 841, 917, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 TRP HE3 54 ARG+ HE 4.33 (#peak 51 #SUP 0.82 #QF 0.82)
&rst
ixpk= 51, nxpk= 0, iat= 843, 917, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 48 ARG+ HG3 48 ARG+ HE 3.72 (#peak 54 #SUP 0.74 #QF 0.74)
&rst
ixpk= 54, nxpk= 0, iat= 792, 797, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 48 ARG+ HG2 48 ARG+ HE 3.72 (#peak 55 #SUP 0.95 #QF 0.95)
&rst
ixpk= 55, nxpk= 0, iat= 791, 797, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 48 ARG+ HB3 48 ARG+ HE 3.36 (#peak 56 #SUP 0.93 #QF 0.93)
&rst
ixpk= 56, nxpk= 0, iat= 789, 797, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 48 ARG+ HB2 48 ARG+ HE 3.36 (#peak 57 #SUP 0.78 #QF 0.78)
&rst
ixpk= 57, nxpk= 0, iat= 788, 797, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 33 ARG+ HD3 48 ARG+ HE 5.50 (#peak 58 #SUP 0.49 #QF 0.49)
&rst
ixpk= 58, nxpk= 0, iat= 546, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LYS+ HA 55 ARG+ HE 4.32 (#peak 59 #SUP 0.37 #QF 0.37)
&rst
ixpk= 59, nxpk= 0, iat= 870, 941, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 55 ARG+ HE 56 ALA QB 5.14 (#peak 60 #SUP 0.75 #QF 0.75)
&rst
ixpk= 60, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 956, 957, 958,
&end
#
# 5 ARG+ QG 5 ARG+ HE 3.98 (#peak 61 #SUP 0.90 #QF 0.78)
&rst
ixpk= 61, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 70, 71,
&end
#
# 55 ARG+ HB2 55 ARG+ HE 4.09 (#peak 66 #SUP 0.92 #QF 0.88)
&rst
ixpk= 66, nxpk= 0, iat= 932, 941, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 46 ARG+ HG2 46 ARG+ HE 3.76 (#peak 68 #SUP 0.77 #QF 0.77)
&rst
ixpk= 68, nxpk= 0, iat= 751, 757, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 LYS+ HB3 52 LYS+ QZ 4.24 (#peak 70 #SUP 0.92 #QF 0.42)
&rst
ixpk= 70, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 884, 885, 886,
&end
#
# 26 ARG+ HB2 26 ARG+ HE 4.15 (#peak 72 #SUP 0.89 #QF 0.89)
&rst
ixpk= 72, nxpk= 0, iat= 426, 435, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 26 ARG+ HB3 26 ARG+ HE 4.15 (#peak 75 #SUP 0.88 #QF 0.82)
&rst
ixpk= 75, nxpk= 0, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 26 ARG+ HA 26 ARG+ HE 4.78 (#peak 76 #SUP 0.77 #QF 0.77)
&rst
ixpk= 76, nxpk= 0, iat= 424, 435, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 26 ARG+ HE 27 TYR QE 4.64 (#peak 77 #SUP 0.54 #QF 0.54)
&rst
ixpk= 77, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 456, 461,
&end
#
# 33 ARG+ HE 48 ARG+ HA 4.51 (#peak 80 #SUP 0.67 #QF 0.67)
&rst
ixpk= 80, nxpk= 0, iat= 548, 786, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 59 ARG+ HA 59 ARG+ HE 4.38 (#peak 81 #SUP 0.63 #QF 0.63)
&rst
ixpk= 81, nxpk= 0, iat=1010,1021, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 55 ARG+ HB3 55 ARG+ HE 4.09 (#peak 83 #SUP 0.93 #QF 0.93)
&rst
ixpk= 83, nxpk= 0, iat= 933, 941, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 46 ARG+ HA 46 ARG+ HE 4.45 (#peak 84 #SUP 0.56 #QF 0.56)
&rst
ixpk= 84, nxpk= 0, iat= 746, 757, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 48 ARG+ HA 48 ARG+ HE 4.63 (#peak 86 #SUP 0.94 #QF 0.94)
&rst
ixpk= 86, nxpk= 0, iat= 786, 797, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 33 ARG+ HD2 48 ARG+ HE 5.50 (#peak 87 #SUP 0.96 #QF 0.96)
&rst
ixpk= 87, nxpk= 0, iat= 545, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 GLN QB 4 ARG+ HN 4.42 (#peak 544)
&rst
ixpk= 544, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 26, 27,
&end
#
# 4 ARG+ QB 4 ARG+ HE 3.99 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 43, 44,
&end
#
# 4 ARG+ QB 5 ARG+ HN 3.02 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 43, 44,
&end
#
# 5 ARG+ HA 6 GLN QE2 5.17 (#peak 611)
&rst
ixpk= 611, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 99, 100,
&end
#
# 5 ARG+ QB 6 GLN HN 3.74 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 67, 68,
&end
#
# 6 GLN HA 6 GLN QE2 5.34 (#peak 271)
&rst
ixpk= 271, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 99, 100,
&end
#
# 6 GLN QB 6 GLN QE2 4.20 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 91, 92,
igr2= 99, 100,
&end
#
# 6 GLN QE2 7 ARG+ HN 5.34 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 99, 100,
&end
#
# 7 ARG+ HN 7 ARG+ QB 3.30 (#peak 58)
&rst
ixpk= 58, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 108, 109,
&end
#
# 7 ARG+ HN 7 ARG+ QG 3.90 (#peak 558)
&rst
ixpk= 558, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 111, 112,
&end
#
# 7 ARG+ HN 7 ARG+ QD 4.33 (#peak 709)
&rst
ixpk= 709, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 114, 115,
&end
#
# 7 ARG+ QB 8 THR HN 4.34 (#peak 690)
&rst
ixpk= 690, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 108, 109,
&end
#
# 7 ARG+ QG 7 ARG+ HE 3.56 (#peak 26)
&rst
ixpk= 26, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 111, 112,
&end
#
# 7 ARG+ QG 8 THR HN 4.10 (#peak 373)
&rst
ixpk= 373, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 111, 112,
&end
#
# 10 PHE QB 11 THR HN 3.59 (#peak 340)
&rst
ixpk= 340, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 163, 164,
&end
#
# 10 PHE QB 14 GLN HN 5.21 (#peak 319)
&rst
ixpk= 319, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 163, 164,
&end
#
# 10 PHE QB 15 LEU HN 4.44 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 163, 164,
&end
#
# 10 PHE QB 15 LEU QQD 3.51 (#peak 578)
&rst
ixpk= 578, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 163, 164,
&end
#
# 10 PHE QD 15 LEU QQD 4.24 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 167, 175,
&end
#
# 10 PHE QD 42 LEU QQD 4.53 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 167, 175,
&end
#
# 11 THR HN 14 GLN QB 3.98 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 225, 226,
&end
#
# 11 THR HN 14 GLN QG 3.67 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 228, 229,
&end
#
# 11 THR QG2 13 GLN QB 4.91 (#peak 678)
&rst
ixpk= 678, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 185, 186, 187,
igr2= 208, 209,
&end
#
# 11 THR QG2 14 GLN QG 4.07 (#peak 667)
&rst
ixpk= 667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 185, 186, 187,
igr2= 228, 229,
&end
#
# 12 SER HA 15 LEU QQD 4.40 (#peak 585)
&rst
ixpk= 585, nxpk= 0, iat= 195, 244, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 SER QB 13 GLN QB 4.60 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 197, 198,
igr2= 208, 209,
&end
#
# 12 SER QB 15 LEU QQD 4.33 (#peak 161)
&rst
ixpk= 161, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 197, 198,
&end
#
# 13 GLN HN 14 GLN QG 4.14 (#peak 178)
&rst
ixpk= 178, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 228, 229,
&end
#
# 13 GLN QB 14 GLN HN 3.43 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 208, 209,
&end
#
# 14 GLN HN 14 GLN QB 3.38 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 225, 226,
&end
#
# 14 GLN HN 14 GLN QG 2.99 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 228, 229,
&end
#
# 14 GLN HN 15 LEU QQD 5.44 (#peak 317)
&rst
ixpk= 317, nxpk= 0, iat= 221, 244, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 14 GLN HA 17 GLU- QB 3.98 (#peak 851)
&rst
ixpk= 851, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 278, 279,
&end
#
# 14 GLN QB 14 GLN QE2 4.21 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 225, 226,
igr2= 233, 234,
&end
#
# 14 GLN QB 15 LEU HN 4.44 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 225, 226,
&end
#
# 14 GLN QB 18 LEU QQD 4.81 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 225, 226,
&end
#
# 14 GLN QB 40 THR HB 4.58 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 225, 226,
&end
#
# 14 GLN QB 40 THR QG2 4.23 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 225, 226,
igr2= 664, 665, 666,
&end
#
# 14 GLN QB 42 LEU HN 5.35 (#peak 645)
&rst
ixpk= 645, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 225, 226,
&end
#
# 14 GLN QG 14 GLN QE2 3.25 (#peak 402)
&rst
ixpk= 402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 228, 229,
igr2= 233, 234,
&end
#
# 14 GLN QG 15 LEU HN 4.56 (#peak 325)
&rst
ixpk= 325, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 228, 229,
&end
#
# 14 GLN QG 40 THR HB 5.00 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 228, 229,
&end
#
# 14 GLN QG 40 THR QG2 4.66 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 228, 229,
igr2= 664, 665, 666,
&end
#
# 14 GLN QE2 40 THR HB 4.99 (#peak 621)
&rst
ixpk= 621, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 233, 234,
&end
#
# 14 GLN QE2 41 ASN HB2 5.19 (#peak 323)
&rst
ixpk= 323, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 233, 234,
&end
#
# 14 GLN QE2 42 LEU HG 3.74 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 233, 234,
&end
#
# 14 GLN QE2 42 LEU QQD 3.37 (#peak 276)
&rst
ixpk= 276, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 233, 234,
&end
#
# 15 LEU HN 15 LEU QQD 3.42 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= 238, 244, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 15 LEU HN 16 GLN QG 5.27 (#peak 324)
&rst
ixpk= 324, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 264, 265,
&end
#
# 15 LEU HN 18 LEU QQD 4.89 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat= 238, 295, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, &end
#
# 15 LEU HA 15 LEU QQD 3.30 (#peak 579)
&rst
ixpk= 579, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LEU HA 18 LEU QB 3.43 (#peak 774)
&rst
ixpk= 774, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 293, 294,
&end
#
# 15 LEU HA 18 LEU QQD 3.73 (#peak 181)
&rst
ixpk= 181, nxpk= 0, iat= 240, 295, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 15 LEU HB3 18 LEU QQD 4.99 (#peak 303)
&rst
ixpk= 303, nxpk= 0, iat= 243, 295, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, &end
#
# 15 LEU HG 18 LEU QQD 5.26 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= 245, 295, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, &end
#
# 15 LEU QQD 16 GLN HN 3.98 (#peak 234)
&rst
ixpk= 234, nxpk= 0, iat= 244, 257, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 15 LEU QQD 18 LEU HN 4.68 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= 244, 289, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 15 LEU QQD 18 LEU QQD 3.67 (#peak 186)
&rst
ixpk= 186, nxpk= 0, iat= 244, 295, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, &end
#
# 15 LEU QQD 19 GLU- HN 5.44 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat= 244, 308, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 15 LEU QQD 50 TRP HD1 4.79 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat= 244, 832, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, &end
#
# 15 LEU QQD 50 TRP HE1 3.16 (#peak 244)
&rst
ixpk= 244, nxpk= 0, iat= 244, 834, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 15 LEU QQD 50 TRP HZ2 5.00 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= 244, 837, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 16 GLN HN 16 GLN QB 2.95 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 261, 262,
&end
#
# 16 GLN HN 16 GLN QG 3.47 (#peak 712)
&rst
ixpk= 712, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 264, 265,
&end
#
# 16 GLN HN 17 GLU- QB 4.65 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 278, 279,
&end
#
# 16 GLN HA 16 GLN QG 3.54 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 264, 265,
&end
#
# 16 GLN HA 19 GLU- QG 3.85 (#peak 483)
&rst
ixpk= 483, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 315, 316,
&end
#
# 16 GLN QB 16 GLN HE22 4.68 (#peak 339)
&rst
ixpk= 339, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 261, 262,
&end
#
# 16 GLN QB 17 GLU- HN 3.51 (#peak 378)
&rst
ixpk= 378, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 261, 262,
&end
#
# 16 GLN QB 18 LEU HN 5.35 (#peak 288)
&rst
ixpk= 288, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 261, 262,
&end
#
# 16 GLN QG 17 GLU- HN 4.99 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 264, 265,
&end
#
# 16 GLN HE21 19 GLU- QG 4.94 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 315, 316,
&end
#
# 16 GLN HE22 19 GLU- QG 4.84 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 315, 316,
&end
#
# 17 GLU- HN 17 GLU- QB 3.36 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 278, 279,
&end
#
# 17 GLU- HN 17 GLU- QG 3.35 (#peak 2)
&rst
ixpk= 2, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 281, 282,
&end
#
# 17 GLU- HN 18 LEU QB 5.35 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 293, 294,
&end
#
# 17 GLU- HN 19 GLU- QG 5.35 (#peak 279)
&rst
ixpk= 279, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 315, 316,
&end
#
# 17 GLU- QB 18 LEU HN 3.89 (#peak 96)
&rst
ixpk= 96, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 278, 279,
&end
#
# 17 GLU- QB 40 THR QG2 3.44 (#peak 407)
&rst
ixpk= 407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 278, 279,
igr2= 664, 665, 666,
&end
#
# 17 GLU- QG 18 LEU HN 4.72 (#peak 723)
&rst
ixpk= 723, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 281, 282,
&end
#
# 17 GLU- QG 36 ILE QG2 4.42 (#peak 376)
&rst
ixpk= 376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 281, 282,
igr2= 595, 596, 597,
&end
#
# 17 GLU- QG 40 THR QG2 3.43 (#peak 408)
&rst
ixpk= 408, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 281, 282,
igr2= 664, 665, 666,
&end
#
# 18 LEU HN 18 LEU QB 3.08 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 293, 294,
&end
#
# 18 LEU HN 18 LEU QQD 3.43 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= 289, 295, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 18 LEU HN 19 GLU- QG 5.35 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 315, 316,
&end
#
# 18 LEU HA 18 LEU QQD 3.21 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= 291, 295, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 18 LEU QB 19 GLU- HN 3.28 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 293, 294,
&end
#
# 18 LEU QB 50 TRP HE1 4.75 (#peak 653)
&rst
ixpk= 653, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 293, 294,
&end
#
# 18 LEU QQD 19 GLU- HN 4.57 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat= 295, 308, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, &end
#
# 18 LEU QQD 21 THR QG2 4.77 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 339, 340, 341,
&end
#
# 18 LEU QQD 36 ILE QG2 3.24 (#peak 620)
&rst
ixpk= 620, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 595, 596, 597,
&end
#
# 18 LEU QQD 36 ILE QD1 4.04 (#peak 383)
&rst
ixpk= 383, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 602, 603, 604,
&end
#
# 18 LEU QQD 40 THR QG2 4.65 (#peak 413)
&rst
ixpk= 413, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 664, 665, 666,
&end
#
# 18 LEU QQD 42 LEU HB2 5.44 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= 295, 690, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 18 LEU QQD 42 LEU QQD 3.59 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat= 295, 692, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49, &end
#
# 18 LEU QQD 47 VAL HA 4.42 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= 295, 770, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 18 LEU QQD 47 VAL QG1 3.13 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 774, 775, 776,
&end
#
# 18 LEU QQD 47 VAL QG2 3.74 (#peak 639)
&rst
ixpk= 639, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 778, 779, 780,
&end
#
# 18 LEU QQD 50 TRP QB 4.36 (#peak 556)
&rst
ixpk= 556, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 828, 829,
&end
#
# 18 LEU QQD 50 TRP HE1 3.96 (#peak 240)
&rst
ixpk= 240, nxpk= 0, iat= 295, 834, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 18 LEU QQD 51 PHE QE 3.96 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 858, 862,
&end
#
# 19 GLU- HN 22 PHE QB 4.78 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 351, 352,
&end
#
# 19 GLU- HA 22 PHE QB 4.20 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 351, 352,
&end
#
# 19 GLU- QG 20 ALA HN 3.86 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 315, 316,
&end
#
# 19 GLU- QG 21 THR HN 4.31 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 315, 316,
&end
#
# 20 ALA HA 23 GLN QB 3.91 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 371, 372,
&end
#
# 20 ALA HA 23 GLN QG 4.26 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 374, 375,
&end
#
# 21 THR HN 22 PHE QB 4.31 (#peak 497)
&rst
ixpk= 497, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 351, 352,
&end
#
# 21 THR HN 36 ILE QG1 5.35 (#peak 661)
&rst
ixpk= 661, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 599, 600,
&end
#
# 21 THR HA 24 ARG+ QG 4.23 (#peak 789)
&rst
ixpk= 789, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 391, 392,
&end
#
# 21 THR QG2 25 ASN QD2 4.67 (#peak 375)
&rst
ixpk= 375, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 339, 340, 341,
igr2= 417, 418,
&end
#
# 21 THR QG2 36 ILE QG1 4.49 (#peak 738)
&rst
ixpk= 738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 339, 340, 341,
igr2= 599, 600,
&end
#
# 22 PHE QB 23 GLN HN 3.48 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 351, 352,
&end
#
# 23 GLN HN 23 GLN QB 3.19 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 371, 372,
&end
#
# 23 GLN HN 23 GLN QG 3.26 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 374, 375,
&end
#
# 23 GLN HA 23 GLN QG 3.74 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 374, 375,
&end
#
# 23 GLN QB 23 GLN HE21 3.74 (#peak 108)
&rst
ixpk= 108, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 371, 372,
&end
#
# 23 GLN QB 23 GLN HE22 4.62 (#peak 367)
&rst
ixpk= 367, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 371, 372,
&end
#
# 23 GLN QB 24 ARG+ HN 3.68 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 371, 372,
&end
#
# 23 GLN QG 23 GLN HE21 3.14 (#peak 499)
&rst
ixpk= 499, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 374, 375,
&end
#
# 23 GLN QG 23 GLN HE22 3.64 (#peak 264)
&rst
ixpk= 264, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 374, 375,
&end
#
# 23 GLN QG 24 ARG+ HN 4.55 (#peak 283)
&rst
ixpk= 283, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 374, 375,
&end
#
# 24 ARG+ HN 24 ARG+ QG 3.52 (#peak 371)
&rst
ixpk= 371, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 391, 392,
&end
#
# 24 ARG+ HA 24 ARG+ QG 3.39 (#peak 443)
&rst
ixpk= 443, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 391, 392,
&end
#
# 24 ARG+ QG 25 ASN HN 3.70 (#peak 326)
&rst
ixpk= 326, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 391, 392,
&end
#
# 25 ASN HN 25 ASN QD2 5.34 (#peak 520)
&rst
ixpk= 520, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 417, 418,
&end
#
# 25 ASN HN 26 ARG+ QG 4.94 (#peak 347)
&rst
ixpk= 347, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 429, 430,
&end
#
# 25 ASN HA 25 ASN QD2 4.47 (#peak 557)
&rst
ixpk= 557, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 417, 418,
&end
#
# 25 ASN HA 26 ARG+ QG 3.90 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 429, 430,
&end
#
# 25 ASN QB 25 ASN QD2 2.94 (#peak 267)
&rst
ixpk= 267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 412, 413,
igr2= 417, 418,
&end
#
# 25 ASN QD2 27 TYR HN 5.26 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 417, 418,
&end
#
# 25 ASN QD2 28 PRO HA 3.38 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 417, 418,
&end
#
# 25 ASN QD2 28 PRO HB2 4.74 (#peak 376)
&rst
ixpk= 376, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 417, 418,
&end
#
# 25 ASN QD2 29 ASP- HN 4.05 (#peak 48)
&rst
ixpk= 48, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 417, 418,
&end
#
# 25 ASN QD2 32 THR QG2 3.66 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 417, 418,
igr2= 527, 528, 529,
&end
#
# 26 ARG+ HN 26 ARG+ QB 3.40 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 426, 427,
&end
#
# 26 ARG+ HN 26 ARG+ QG 3.18 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 429, 430,
&end
#
# 26 ARG+ HN 26 ARG+ QD 3.95 (#peak 294)
&rst
ixpk= 294, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 432, 433,
&end
#
# 26 ARG+ HA 26 ARG+ QG 3.75 (#peak 143)
&rst
ixpk= 143, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 429, 430,
&end
#
# 26 ARG+ QB 27 TYR HN 3.95 (#peak 191)
&rst
ixpk= 191, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 426, 427,
&end
#
# 26 ARG+ QG 27 TYR HN 4.08 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 429, 430,
&end
#
# 27 TYR HN 27 TYR QB 3.48 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 450, 451,
&end
#
# 27 TYR HN 28 PRO QG 4.79 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 471, 472,
&end
#
# 27 TYR HN 28 PRO QD 3.17 (#peak 381)
&rst
ixpk= 381, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 468, 469,
&end
#
# 28 PRO HA 29 ASP- QB 4.29 (#peak 464)
&rst
ixpk= 464, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 485, 486,
&end
#
# 28 PRO QG 33 ARG+ HE 5.35 (#peak 90)
&rst
ixpk= 90, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 471, 472,
&end
#
# 29 ASP- HN 29 ASP- QB 3.28 (#peak 43)
&rst
ixpk= 43, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 485, 486,
&end
#
# 29 ASP- QB 30 MET HN 3.22 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 485, 486,
&end
#
# 30 MET HA 33 ARG+ QB 3.95 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 539, 540,
&end
#
# 30 MET HA 48 ARG+ QG 5.35 (#peak 797)
&rst
ixpk= 797, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 791, 792,
&end
#
# 30 MET QB 31 SER HN 3.68 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 497, 498,
&end
#
# 31 SER HA 34 GLU- QB 4.45 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 563, 564,
&end
#
# 31 SER HA 34 GLU- QG 4.75 (#peak 365)
&rst
ixpk= 365, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 566, 567,
&end
#
# 31 SER HA 35 GLU- QG 4.75 (#peak 681)
&rst
ixpk= 681, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 581, 582,
&end
#
# 33 ARG+ HN 33 ARG+ QB 3.14 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 539, 540,
&end
#
# 33 ARG+ HN 33 ARG+ QD 4.65 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 545, 546,
&end
#
# 33 ARG+ QB 33 ARG+ HE 3.01 (#peak 33)
&rst
ixpk= 33, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 539, 540,
&end
#
# 33 ARG+ QB 34 GLU- HN 3.85 (#peak 99)
&rst
ixpk= 99, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 539, 540,
&end
#
# 33 ARG+ QB 37 ALA HN 5.35 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 539, 540,
&end
#
# 33 ARG+ QB 44 GLU- HA 4.38 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 539, 540,
&end
#
# 33 ARG+ QB 44 GLU- QG 3.66 (#peak 872)
&rst
ixpk= 872, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 539, 540,
igr2= 726, 727,
&end
#
# 33 ARG+ QB 47 VAL QG1 4.55 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 539, 540,
igr2= 774, 775, 776,
&end
#
# 33 ARG+ QD 47 VAL QG1 4.37 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 545, 546,
igr2= 774, 775, 776,
&end
#
# 33 ARG+ QD 48 ARG+ HN 4.24 (#peak 116)
&rst
ixpk= 116, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 545, 546,
&end
#
# 33 ARG+ QD 48 ARG+ HA 3.90 (#peak 449)
&rst
ixpk= 449, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 545, 546,
&end
#
# 33 ARG+ QD 48 ARG+ HE 4.83 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 545, 546,
&end
#
# 33 ARG+ HE 44 GLU- QG 3.92 (#peak 37)
&rst
ixpk= 37, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 726, 727,
&end
#
# 33 ARG+ HE 48 ARG+ QB 4.11 (#peak 32)
&rst
ixpk= 32, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 788, 789,
&end
#
# 33 ARG+ HE 48 ARG+ QG 3.38 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 791, 792,
&end
#
# 34 GLU- HN 34 GLU- QB 2.94 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 563, 564,
&end
#
# 34 GLU- HN 34 GLU- QG 3.10 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 566, 567,
&end
#
# 34 GLU- QB 35 GLU- HN 4.20 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 563, 564,
&end
#
# 34 GLU- QB 38 VAL QG2 5.20 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 563, 564,
igr2= 628, 629, 630,
&end
#
# 34 GLU- QG 35 GLU- HN 4.25 (#peak 149)
&rst
ixpk= 149, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 566, 567,
&end
#
# 34 GLU- QG 35 GLU- HA 4.11 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 566, 567,
&end
#
# 34 GLU- QG 35 GLU- QG 3.22 (#peak 871)
&rst
ixpk= 871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 566, 567,
igr2= 581, 582,
&end
#
# 35 GLU- HN 35 GLU- QG 3.12 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 581, 582,
&end
#
# 35 GLU- HN 36 ILE QG1 5.35 (#peak 166)
&rst
ixpk= 166, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 599, 600,
&end
#
# 35 GLU- HA 35 GLU- QG 3.38 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 581, 582,
&end
#
# 35 GLU- QG 36 ILE HN 5.35 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 581, 582,
&end
#
# 35 GLU- QG 38 VAL QG2 5.35 (#peak 405)
&rst
ixpk= 405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 581, 582,
igr2= 628, 629, 630,
&end
#
# 35 GLU- QG 39 TRP HE1 4.26 (#peak 584)
&rst
ixpk= 584, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 581, 582,
&end
#
# 36 ILE HN 36 ILE QG1 3.30 (#peak 300)
&rst
ixpk= 300, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 599, 600,
&end
#
# 36 ILE HA 36 ILE QG1 3.37 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 599, 600,
&end
#
# 36 ILE QG2 36 ILE QG1 3.03 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 595, 596, 597,
igr2= 599, 600,
&end
#
# 36 ILE QG1 39 TRP HE1 4.54 (#peak 250)
&rst
ixpk= 250, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 599, 600,
&end
#
# 37 ALA HA 42 LEU QQD 4.70 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat= 610, 692, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 37 ALA QB 42 LEU QQD 4.35 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 612, 613, 614,
&end
#
# 37 ALA QB 44 GLU- QB 4.78 (#peak 468)
&rst
ixpk= 468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 612, 613, 614,
igr2= 723, 724,
&end
#
# 40 THR HN 42 LEU QQD 4.37 (#peak 267)
&rst
ixpk= 267, nxpk= 0, iat= 658, 692, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 40 THR HB 42 LEU QQD 4.26 (#peak 265)
&rst
ixpk= 265, nxpk= 0, iat= 662, 692, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 41 ASN HN 42 LEU QQD 4.50 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= 672, 692, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 41 ASN HA 41 ASN QD2 4.29 (#peak 597)
&rst
ixpk= 597, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 681, 682,
&end
#
# 41 ASN HB2 41 ASN QD2 3.58 (#peak 601)
&rst
ixpk= 601, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 681, 682,
&end
#
# 42 LEU HN 42 LEU QQD 3.23 (#peak 219)
&rst
ixpk= 219, nxpk= 0, iat= 686, 692, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 42 LEU HA 42 LEU QQD 3.42 (#peak 812)
&rst
ixpk= 812, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 42 LEU QQD 43 THR HN 3.66 (#peak 10)
&rst
ixpk= 10, nxpk= 0, iat= 692, 705, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 42 LEU QQD 46 ARG+ HB3 4.47 (#peak 565)
&rst
ixpk= 565, nxpk= 0, iat= 692, 749, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 42 LEU QQD 47 VAL HN 4.74 (#peak 238)
&rst
ixpk= 238, nxpk= 0, iat= 692, 768, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 42 LEU QQD 47 VAL QG2 3.34 (#peak 171)
&rst
ixpk= 171, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 778, 779, 780,
&end
#
# 43 THR HN 46 ARG+ QD 4.75 (#peak 369)
&rst
ixpk= 369, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 754, 755,
&end
#
# 43 THR HA 44 GLU- QB 5.21 (#peak 817)
&rst
ixpk= 817, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 723, 724,
&end
#
# 44 GLU- HN 44 GLU- QB 3.22 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 723, 724,
&end
#
# 44 GLU- HA 44 GLU- QG 3.57 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 726, 727,
&end
#
# 44 GLU- QB 45 ALA HN 3.36 (#peak 631)
&rst
ixpk= 631, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 723, 724,
&end
#
# 44 GLU- QG 45 ALA HN 3.75 (#peak 301)
&rst
ixpk= 301, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 726, 727,
&end
#
# 44 GLU- QG 45 ALA HA 4.30 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 726, 727,
&end
#
# 45 ALA HN 48 ARG+ QB 5.35 (#peak 398)
&rst
ixpk= 398, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 788, 789,
&end
#
# 45 ALA HA 48 ARG+ QB 4.47 (#peak 750)
&rst
ixpk= 750, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 788, 789,
&end
#
# 45 ALA HA 49 VAL QQG 4.36 (#peak 751)
&rst
ixpk= 751, nxpk= 0, iat= 736, 811, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 46 ARG+ HN 46 ARG+ QD 3.66 (#peak 291)
&rst
ixpk= 291, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 754, 755,
&end
#
# 46 ARG+ HA 46 ARG+ QD 4.05 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 754, 755,
&end
#
# 46 ARG+ HA 49 VAL QQG 4.51 (#peak 730)
&rst
ixpk= 730, nxpk= 0, iat= 746, 811, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 46 ARG+ HB2 46 ARG+ QD 3.72 (#peak 834)
&rst
ixpk= 834, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 754, 755,
&end
#
# 46 ARG+ HB3 49 VAL QQG 4.88 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat= 749, 811, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, &end
#
# 46 ARG+ QD 47 VAL HN 4.95 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 754, 755,
&end
#
# 46 ARG+ QD 49 VAL QQG 4.09 (#peak 500)
&rst
ixpk= 500, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 754, 755,
&end
#
# 47 VAL HA 50 TRP QB 4.60 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 828, 829,
&end
#
# 47 VAL QG1 48 ARG+ QG 4.80 (#peak 414)
&rst
ixpk= 414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 774, 775, 776,
igr2= 791, 792,
&end
#
# 48 ARG+ HN 48 ARG+ QG 3.82 (#peak 254)
&rst
ixpk= 254, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 791, 792,
&end
#
# 48 ARG+ HA 48 ARG+ QG 3.37 (#peak 481)
&rst
ixpk= 481, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 791, 792,
&end
#
# 48 ARG+ QB 48 ARG+ HE 2.92 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 788, 789,
&end
#
# 48 ARG+ QB 49 VAL HN 3.63 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 788, 789,
&end
#
# 48 ARG+ QB 49 VAL QQG 5.02 (#peak 425)
&rst
ixpk= 425, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 788, 789,
&end
#
# 48 ARG+ QB 50 TRP HN 5.07 (#peak 498)
&rst
ixpk= 498, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 788, 789,
&end
#
# 48 ARG+ QG 48 ARG+ HE 3.24 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 791, 792,
&end
#
# 48 ARG+ QG 49 VAL HN 5.24 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 791, 792,
&end
#
# 48 ARG+ QD 49 VAL QQG 5.44 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 794, 795,
&end
#
# 49 VAL HN 49 VAL QQG 3.12 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat= 808, 811, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 49 VAL HN 52 LYS+ QG 5.35 (#peak 348)
&rst
ixpk= 348, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 875, 876,
&end
#
# 49 VAL HN 52 LYS+ QD 5.35 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 878, 879,
&end
#
# 49 VAL HA 52 LYS+ QG 4.03 (#peak 209)
&rst
ixpk= 209, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 875, 876,
&end
#
# 49 VAL HA 52 LYS+ QD 4.42 (#peak 899)
&rst
ixpk= 899, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 878, 879,
&end
#
# 49 VAL QQG 50 TRP HN 3.56 (#peak 97)
&rst
ixpk= 97, nxpk= 0, iat= 811, 824, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 49 VAL QQG 53 ASN HB3 4.20 (#peak 898)
&rst
ixpk= 898, nxpk= 0, iat= 811, 895, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 49 VAL QQG 53 ASN HD21 3.73 (#peak 355)
&rst
ixpk= 355, nxpk= 0, iat= 811, 899, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 49 VAL QQG 53 ASN HD22 4.60 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat= 811, 900, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 50 TRP HN 50 TRP QB 3.23 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 828, 829,
&end
#
# 50 TRP QB 50 TRP HE1 4.58 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 828, 829,
&end
#
# 50 TRP QB 51 PHE HN 4.06 (#peak 111)
&rst
ixpk= 111, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 828, 829,
&end
#
# 51 PHE HA 54 ARG+ QB 3.70 (#peak 459)
&rst
ixpk= 459, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 908, 909,
&end
#
# 52 LYS+ HN 52 LYS+ QG 3.53 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 875, 876,
&end
#
# 52 LYS+ HN 52 LYS+ QD 4.24 (#peak 139)
&rst
ixpk= 139, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 878, 879,
&end
#
# 52 LYS+ QG 52 LYS+ QE 3.22 (#peak 290)
&rst
ixpk= 290, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 875, 876,
igr2= 881, 882,
&end
#
# 52 LYS+ QG 53 ASN HN 3.70 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 875, 876,
&end
#
# 52 LYS+ QD 53 ASN HN 4.56 (#peak 353)
&rst
ixpk= 353, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 878, 879,
&end
#
# 53 ASN HN 54 ARG+ QB 4.88 (#peak 421)
&rst
ixpk= 421, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 908, 909,
&end
#
# 54 ARG+ HN 54 ARG+ QG 4.44 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 911, 912,
&end
#
# 54 ARG+ HN 55 ARG+ QG 4.39 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 935, 936,
&end
#
# 54 ARG+ QB 54 ARG+ HE 3.68 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 908, 909,
&end
#
# 54 ARG+ QG 54 ARG+ HE 3.32 (#peak 5)
&rst
ixpk= 5, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 911, 912,
&end
#
# 54 ARG+ QG 55 ARG+ HN 4.75 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 911, 912,
&end
#
# 55 ARG+ HN 55 ARG+ QG 3.48 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 935, 936,
&end
#
# 55 ARG+ HN 55 ARG+ QD 4.38 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 938, 939,
&end
#
# 55 ARG+ HA 55 ARG+ QG 3.64 (#peak 486)
&rst
ixpk= 486, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 935, 936,
&end
#
# 55 ARG+ HA 55 ARG+ QD 4.59 (#peak 485)
&rst
ixpk= 485, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 938, 939,
&end
#
# 55 ARG+ QB 56 ALA HN 3.61 (#peak 109)
&rst
ixpk= 109, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 932, 933,
&end
#
# 55 ARG+ QG 55 ARG+ HE 3.53 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 935, 936,
&end
#
# 55 ARG+ QG 56 ALA HN 3.78 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 935, 936,
&end
#
# 56 ALA HA 59 ARG+ QG 4.01 (#peak 24)
&rst
ixpk= 24, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1015,1016,
&end
#
# 56 ALA QB 59 ARG+ QB 4.95 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 956, 957, 958,
igr2=1012,1013,
&end
#
# 57 LYS+ HN 57 LYS+ QB 2.95 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 966, 967,
&end
#
# 57 LYS+ HN 57 LYS+ QG 4.12 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 969, 970,
&end
#
# 57 LYS+ HN 57 LYS+ QD 3.58 (#peak 363)
&rst
ixpk= 363, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 972, 973,
&end
#
# 57 LYS+ HA 57 LYS+ QG 3.47 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 969, 970,
&end
#
# 57 LYS+ HA 57 LYS+ QD 4.09 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 972, 973,
&end
#
# 57 LYS+ QB 57 LYS+ QE 4.98 (#peak 896)
&rst
ixpk= 896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 966, 967,
igr2= 975, 976,
&end
#
# 57 LYS+ QG 57 LYS+ QE 3.45 (#peak 293)
&rst
ixpk= 293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 969, 970,
igr2= 975, 976,
&end
#
# 57 LYS+ QD 58 TRP HN 5.00 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 972, 973,
&end
#
# 57 LYS+ QD 60 LYS+ QB 3.76 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 972, 973,
igr2=1036,1037,
&end
#
# 58 TRP HN 58 TRP QB 3.11 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 988, 989,
&end
#
# 58 TRP HN 59 ARG+ QG 4.58 (#peak 368)
&rst
ixpk= 368, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1015,1016,
&end
#
# 58 TRP HA 61 ARG+ QB 4.07 (#peak 677)
&rst
ixpk= 677, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1058,1059,
&end
#
# 58 TRP QB 59 ARG+ HN 3.41 (#peak 141)
&rst
ixpk= 141, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 988, 989,
&end
#
# 58 TRP HE1 59 ARG+ QG 5.16 (#peak 432)
&rst
ixpk= 432, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1015,1016,
&end
#
# 59 ARG+ HN 59 ARG+ QB 3.27 (#peak 143)
&rst
ixpk= 143, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1012,1013,
&end
#
# 59 ARG+ HN 59 ARG+ QG 3.09 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1015,1016,
&end
#
# 59 ARG+ HA 59 ARG+ QG 3.66 (#peak 313)
&rst
ixpk= 313, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1015,1016,
&end
#
# 59 ARG+ HA 59 ARG+ QD 4.82 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1018,1019,
&end
#
# 59 ARG+ HA 63 GLU- QB 4.54 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1097,1098,
&end
#
# 59 ARG+ QB 59 ARG+ QD 3.30 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1012,1013,
igr2=1018,1019,
&end
#
# 59 ARG+ QB 59 ARG+ HE 3.10 (#peak 69)
&rst
ixpk= 69, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1012,1013,
&end
#
# 59 ARG+ QG 60 LYS+ HN 3.71 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1015,1016,
&end
#
# 60 LYS+ HN 60 LYS+ QG 3.19 (#peak 122)
&rst
ixpk= 122, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1039,1040,
&end
#
# 61 ARG+ HN 61 ARG+ QB 3.19 (#peak 159)
&rst
ixpk= 159, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1058,1059,
&end
#
# 61 ARG+ QB 61 ARG+ QG 2.40 (#peak 855)
&rst
ixpk= 855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1058,1059,
igr2=1061,1062,
&end
#
# 61 ARG+ QB 61 ARG+ QD 3.51 (#peak 516)
&rst
ixpk= 516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1058,1059,
igr2=1064,1065,
&end
#
# 61 ARG+ QB 62 GLU- HN 3.08 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1058,1059,
&end
#
# 62 GLU- HA 65 ILE QG1 4.52 (#peak 829)
&rst
ixpk= 829, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1138,1139,
&end
#
# 62 GLU- QB 65 ILE QG1 4.19 (#peak 152)
&rst
ixpk= 152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1082,1083,
igr2=1138,1139,
&end
#
# 63 GLU- HN 63 GLU- QG 4.38 (#peak 559)
&rst
ixpk= 559, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1100,1101,
&end
#
# 63 GLU- HA 63 GLU- QG 3.25 (#peak 886)
&rst
ixpk= 886, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1100,1101,
&end
#
# 65 ILE HN 65 ILE QG1 3.65 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1138,1139,
&end
#
# 65 ILE HA 65 ILE QG1 3.61 (#peak 72)
&rst
ixpk= 72, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1138,1139,
&end
#
# 65 ILE QG1 66 VAL HN 4.84 (#peak 370)
&rst
ixpk= 370, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1138,1139,
&end
#
# 66 VAL HN 66 VAL QQG 3.49 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat=1147,1150, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 66 VAL QQG 67 THR HN 3.87 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat=1150,1163, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 66 VAL QQG 68 ASP- HN 4.36 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat=1150,1177, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
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