NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
559220 |
2m2d   |
18908 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 52 PHE HA 53 THR H 3.20 (#peak 1 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1, nxpk= 0, iat= 276, 294, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
rk2=0.0, rk3=30.0, ir6=1, ialtd=0,
&end
#
# 35 PRO HA 36 THR H 3.35 (#peak 6 #SUP 0.76 #QF 0.76)
&rst
ixpk= 6, nxpk= 0, iat= 45, 49, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 36 THR H 55 SER H 3.85 (#peak 9 #SUP 0.92 #QF 0.92)
&rst
ixpk= 9, nxpk= 0, iat= 49, 318, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 36 THR H 36 THR QG2 4.41 (#peak 10 #SUP 0.99 #QF 0.99)
&rst
ixpk= 10, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 55, 56, 57,
&end
#
# 35 PRO HB3 36 THR H 4.59 (#peak 11 #SUP 0.77 #QF 0.77)
&rst
ixpk= 11, nxpk= 0, iat= 43, 49, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 35 PRO HB2 36 THR H 4.59 (#peak 12 #SUP 0.99 #QF 0.99)
&rst
ixpk= 12, nxpk= 0, iat= 42, 49, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 36 THR HA 37 PHE H 3.15 (#peak 15 #SUP 0.91 #QF 0.91)
&rst
ixpk= 15, nxpk= 0, iat= 51, 63, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 36 THR HB 37 PHE H 3.78 (#peak 16 #SUP 0.97 #QF 0.97)
&rst
ixpk= 16, nxpk= 0, iat= 53, 63, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 37 PHE H 37 PHE HB3 4.16 (#peak 17 #SUP 0.98 #QF 0.98)
&rst
ixpk= 17, nxpk= 0, iat= 63, 68, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 37 PHE H 37 PHE HB2 4.16 (#peak 18 #SUP 0.98 #QF 0.98)
&rst
ixpk= 18, nxpk= 0, iat= 63, 67, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 36 THR QG2 37 PHE H 4.03 (#peak 19 #SUP 0.98 #QF 0.98)
&rst
ixpk= 19, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 55, 56, 57,
&end
#
# 36 THR H 37 PHE H 4.45 (#peak 20 #SUP 0.97 #QF 0.97)
&rst
ixpk= 20, nxpk= 0, iat= 49, 63, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 39 PRO HA 40 ALA H 3.13 (#peak 23 #SUP 0.90 #QF 0.90)
&rst
ixpk= 23, nxpk= 0, iat= 104, 108, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 37 PHE HA 38 SER H 3.09 (#peak 24 #SUP 0.84 #QF 0.84)
&rst
ixpk= 24, nxpk= 0, iat= 65, 83, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 37 PHE HB2 38 SER H 4.71 (#peak 25 #SUP 1.00)
&rst
ixpk= 25, nxpk= 0, iat= 67, 83, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 37 PHE HB3 38 SER H 4.71 (#peak 26 #SUP 0.97 #QF 0.97)
&rst
ixpk= 26, nxpk= 0, iat= 68, 83, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 38 SER H 38 SER QB 3.71 (#peak 27 #SUP 0.99 #QF 0.99)
&rst
ixpk= 27, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 87, 88,
&end
#
# 38 SER H 54 CYS HA 4.23 (#peak 28 #SUP 0.81 #QF 0.81)
&rst
ixpk= 28, nxpk= 0, iat= 83, 310, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 37 PHE QD 38 SER H 4.26 (#peak 29 #SUP 0.95 #QF 0.95)
&rst
ixpk= 29, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 71, 79,
&end
#
# 38 SER H 53 THR H 3.99 (#peak 30 #SUP 0.93 #QF 0.93)
&rst
ixpk= 30, nxpk= 0, iat= 83, 294, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 37 PHE H 38 SER H 4.64 (#peak 33 #SUP 0.93 #QF 0.93)
&rst
ixpk= 33, nxpk= 0, iat= 63, 83, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 37 PHE QD 140 ALA H 4.68 (#peak 34 #SUP 0.88 #QF 0.88)
&rst
ixpk= 34, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 71, 79,
&end
#
# 40 ALA H 40 ALA QB 2.83 (#peak 36 #SUP 0.88 #QF 0.88)
&rst
ixpk= 36, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 112, 113, 114,
&end
#
# 39 PRO HB3 40 ALA H 3.72 (#peak 37 #SUP 0.99 #QF 0.99)
&rst
ixpk= 37, nxpk= 0, iat= 102, 108, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 39 PRO HB2 40 ALA H 3.50 (#peak 38 #SUP 0.99 #QF 0.99)
&rst
ixpk= 38, nxpk= 0, iat= 101, 108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 SER QB 40 ALA H 3.81 (#peak 39 #SUP 0.92 #QF 0.92)
&rst
ixpk= 39, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 87, 88,
&end
#
# 40 ALA H 41 LEU H 3.15 (#peak 41 #SUP 0.99 #QF 0.99)
&rst
ixpk= 41, nxpk= 0, iat= 108, 118, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 41 LEU H 42 LEU H 4.32 (#peak 42 #SUP 0.99 #QF 0.99)
&rst
ixpk= 42, nxpk= 0, iat= 118, 137, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 42 LEU H 52 PHE QE 4.25 (#peak 44 #SUP 0.96 #QF 0.96)
&rst
ixpk= 44, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 284, 288,
&end
#
# 40 ALA QB 41 LEU H 3.10 (#peak 47 #SUP 0.80 #QF 0.80)
&rst
ixpk= 47, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 112, 113, 114,
&end
#
# 41 LEU H 41 LEU HB3 3.56 (#peak 48 #SUP 0.99 #QF 0.99)
&rst
ixpk= 48, nxpk= 0, iat= 118, 123, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 41 LEU H 41 LEU HG 4.38 (#peak 49 #SUP 0.92 #QF 0.92)
&rst
ixpk= 49, nxpk= 0, iat= 118, 125, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 LEU H 41 LEU HB2 3.56 (#peak 50 #SUP 0.95 #QF 0.95)
&rst
ixpk= 50, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 39 PRO HB2 41 LEU H 3.35 (#peak 52 #SUP 0.87 #QF 0.87)
&rst
ixpk= 52, nxpk= 0, iat= 101, 118, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 39 PRO HB3 41 LEU H 4.05 (#peak 53 #SUP 0.98 #QF 0.98)
&rst
ixpk= 53, nxpk= 0, iat= 102, 118, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 41 LEU H 41 LEU QD1 5.32 (#peak 54 #SUP 0.97 #QF 0.91)
&rst
ixpk= 54, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 127, 128, 129,
&end
#
# 41 LEU H 41 LEU QD2 5.32 (#peak 54 #SUP 0.97 #QF 0.91)
&rst
ixpk= 54, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 131, 132, 133,
&end
#
# 42 LEU H 42 LEU HG 4.42 (#peak 56 #SUP 0.91 #QF 0.91)
&rst
ixpk= 56, nxpk= 0, iat= 137, 144, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 42 LEU H 42 LEU HB3 3.40 (#peak 57 #SUP 0.98 #QF 0.98)
&rst
ixpk= 57, nxpk= 0, iat= 137, 142, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 42 LEU H 140 ALA QB 4.98 (#peak 58 #SUP 0.99 #QF 0.98)
&rst
ixpk= 58, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1653,1654,1655,
&end
#
# 41 LEU HG 42 LEU H 4.08 (#peak 59 #SUP 0.87 #QF 0.87)
&rst
ixpk= 59, nxpk= 0, iat= 125, 137, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 41 LEU HA 42 LEU H 2.86 (#peak 61 #SUP 0.87 #QF 0.87)
&rst
ixpk= 61, nxpk= 0, iat= 120, 137, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 42 LEU H 142 LEU HA 3.83 (#peak 62 #SUP 0.87 #QF 0.87)
&rst
ixpk= 62, nxpk= 0, iat= 137,1676, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 42 LEU H 143 ARG H 4.33 (#peak 64 #SUP 0.98 #QF 0.98)
&rst
ixpk= 64, nxpk= 0, iat= 137,1693, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 42 LEU HA 43 VAL H 2.71 (#peak 66 #SUP 0.75 #QF 0.75)
&rst
ixpk= 66, nxpk= 0, iat= 139, 156, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 42 LEU H 43 VAL H 4.49 (#peak 67 #SUP 1.00)
&rst
ixpk= 67, nxpk= 0, iat= 137, 156, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 43 VAL H 44 VAL H 4.33 (#peak 68 #SUP 0.99 #QF 0.99)
&rst
ixpk= 68, nxpk= 0, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 43 VAL H 43 VAL HB 3.11 (#peak 69 #SUP 0.86 #QF 0.86)
&rst
ixpk= 69, nxpk= 0, iat= 156, 160, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 42 LEU QD1 43 VAL H 4.70 (#peak 71 #SUP 0.85 #QF 0.85)
&rst
ixpk= 71, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 146, 147, 148,
&end
#
# 42 LEU HB3 43 VAL H 4.46 (#peak 72 #SUP 0.99 #QF 0.99)
&rst
ixpk= 72, nxpk= 0, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 42 LEU QD2 43 VAL H 4.70 (#peak 73 #SUP 0.93 #QF 0.93)
&rst
ixpk= 73, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 150, 151, 152,
&end
#
# 44 VAL H 145 THR QG2 4.30 (#peak 74 #SUP 0.95 #QF 0.95)
&rst
ixpk= 74, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1739,1740,1741,
&end
#
# 42 LEU HG 44 VAL H 4.19 (#peak 75 #SUP 0.67 #QF 0.67)
&rst
ixpk= 75, nxpk= 0, iat= 144, 172, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 44 VAL H 44 VAL QG1 3.56 (#peak 77 #SUP 0.95 #QF 0.93)
&rst
ixpk= 77, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 178, 179, 180,
&end
#
# 44 VAL H 142 LEU QD1 4.03 (#peak 77 #SUP 0.95 #QF 0.93)
&rst
ixpk= 77, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1683,1684,1685,
&end
#
# 44 VAL H 44 VAL QG2 3.40 (#peak 78 #SUP 0.97 #QF 0.97)
&rst
ixpk= 78, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 182, 183, 184,
&end
#
# 44 VAL H 144 VAL QG1 5.17 (#peak 79 #SUP 0.73 #QF 0.62)
&rst
ixpk= 79, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1723,1724,1725,
&end
#
# 43 VAL HB 44 VAL H 4.44 (#peak 80 #SUP 1.00)
&rst
ixpk= 80, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 44 VAL H 45 THR HA 5.15 (#peak 83 #SUP 0.98 #QF 0.98)
&rst
ixpk= 83, nxpk= 0, iat= 172, 190, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 44 VAL H 144 VAL HA 3.51 (#peak 84 #SUP 0.89 #QF 0.89)
&rst
ixpk= 84, nxpk= 0, iat= 172,1719, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 43 VAL HA 44 VAL H 2.77 (#peak 85 #SUP 0.92 #QF 0.92)
&rst
ixpk= 85, nxpk= 0, iat= 158, 172, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 44 VAL H 142 LEU HA 5.50 (#peak 86 #SUP 0.76 #QF 0.76)
&rst
ixpk= 86, nxpk= 0, iat= 172,1676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL H 143 ARG H 4.33 (#peak 87 #SUP 0.99 #QF 0.99)
&rst
ixpk= 87, nxpk= 0, iat= 172,1693, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 44 VAL H 145 THR H 3.91 (#peak 90 #SUP 0.99 #QF 0.99)
&rst
ixpk= 90, nxpk= 0, iat= 172,1733, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 45 THR H 45 THR HB 3.07 (#peak 92 #SUP 0.82 #QF 0.82)
&rst
ixpk= 92, nxpk= 0, iat= 188, 192, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 44 VAL HA 45 THR H 2.83 (#peak 93 #SUP 0.88 #QF 0.88)
&rst
ixpk= 93, nxpk= 0, iat= 174, 188, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 45 THR H 48 ASP HB3 4.29 (#peak 94 #SUP 0.97 #QF 0.97)
&rst
ixpk= 94, nxpk= 0, iat= 188, 229, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 45 THR H 48 ASP HB2 4.29 (#peak 95 #SUP 0.98 #QF 0.98)
&rst
ixpk= 95, nxpk= 0, iat= 188, 228, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 44 VAL HB 45 THR H 2.95 (#peak 96 #SUP 0.94 #QF 0.94)
&rst
ixpk= 96, nxpk= 0, iat= 176, 188, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 44 VAL QG1 45 THR H 3.83 (#peak 97 #SUP 1.00)
&rst
ixpk= 97, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 178, 179, 180,
&end
#
# 44 VAL QG2 45 THR H 3.51 (#peak 98 #SUP 1.00)
&rst
ixpk= 98, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 182, 183, 184,
&end
#
# 45 THR H 45 THR QG2 3.99 (#peak 99 #SUP 1.00)
&rst
ixpk= 99, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 194, 195, 196,
&end
#
# 45 THR HA 46 GLU H 2.78 (#peak 100 #SUP 0.86 #QF 0.86)
&rst
ixpk= 100, nxpk= 0, iat= 190, 202, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 45 THR HB 46 GLU H 4.32 (#peak 102 #SUP 0.99 #QF 0.99)
&rst
ixpk= 102, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 46 GLU HA 47 GLY H 2.85 (#peak 104 #SUP 0.93 #QF 0.93)
&rst
ixpk= 104, nxpk= 0, iat= 204, 217, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 46 GLU H 146 GLU HA 4.20 (#peak 105 #SUP 0.91 #QF 0.91)
&rst
ixpk= 105, nxpk= 0, iat= 202,1749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 46 GLU H 144 VAL HA 5.00 (#peak 106 #SUP 1.00)
&rst
ixpk= 106, nxpk= 0, iat= 202,1719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 GLU H 47 GLY H 4.53 (#peak 108 #SUP 1.00)
&rst
ixpk= 108, nxpk= 0, iat= 202, 217, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 46 GLU H 145 THR H 4.22 (#peak 109 #SUP 0.99 #QF 0.99)
&rst
ixpk= 109, nxpk= 0, iat= 202,1733, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 46 GLU H 46 GLU HB2 3.30 (#peak 111 #SUP 0.82 #QF 0.82)
&rst
ixpk= 111, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 46 GLU H 46 GLU HB3 3.30 (#peak 112 #SUP 0.57 #QF 0.57)
&rst
ixpk= 112, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 46 GLU H 46 GLU QG 3.91 (#peak 113 #SUP 1.00)
&rst
ixpk= 113, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 209, 210,
&end
#
# 45 THR QG2 46 GLU H 3.16 (#peak 114 #SUP 0.95 #QF 0.95)
&rst
ixpk= 114, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 194, 195, 196,
&end
#
# 46 GLU H 144 VAL QG1 3.43 (#peak 115 #SUP 0.98 #QF 0.98)
&rst
ixpk= 115, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1723,1724,1725,
&end
#
# 47 GLY H 48 ASP H 3.28 (#peak 118 #SUP 0.96 #QF 0.96)
&rst
ixpk= 118, nxpk= 0, iat= 217, 224, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 47 GLY H 113 ALA H 4.17 (#peak 119 #SUP 0.99 #QF 0.99)
&rst
ixpk= 119, nxpk= 0, iat= 217,1234, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 47 GLY H 114 ARG HA 4.44 (#peak 120 #SUP 0.94 #QF 0.94)
&rst
ixpk= 120, nxpk= 0, iat= 217,1246, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 47 GLY H 144 VAL QG1 3.92 (#peak 121 #SUP 0.99 #QF 0.99)
&rst
ixpk= 121, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1723,1724,1725,
&end
#
# 47 GLY H 113 ALA QB 3.94 (#peak 122 #SUP 0.96 #QF 0.96)
&rst
ixpk= 122, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1238,1239,1240,
&end
#
# 46 GLU QG 47 GLY H 3.96 (#peak 123 #SUP 1.00)
&rst
ixpk= 123, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 209, 210,
&end
#
# 46 GLU HB3 47 GLY H 4.77 (#peak 124 #SUP 0.77 #QF 0.71)
&rst
ixpk= 124, nxpk= 0, iat= 207, 217, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 46 GLU HB2 47 GLY H 4.77 (#peak 125 #SUP 0.88 #QF 0.84)
&rst
ixpk= 125, nxpk= 0, iat= 206, 217, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 47 GLY H 112 ARG QG 5.42 (#peak 125 #SUP 0.88 #QF 0.84)
&rst
ixpk= 125, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1217,1218,
&end
#
# 48 ASP H 113 ALA QB 3.96 (#peak 128 #SUP 0.94 #QF 0.94)
&rst
ixpk= 128, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1238,1239,1240,
&end
#
# 44 VAL QG2 48 ASP H 4.25 (#peak 129 #SUP 0.94 #QF 0.94)
&rst
ixpk= 129, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 182, 183, 184,
&end
#
# 46 GLU HA 48 ASP H 3.73 (#peak 131 #SUP 0.85 #QF 0.85)
&rst
ixpk= 131, nxpk= 0, iat= 204, 224, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 45 THR HB 48 ASP H 4.82 (#peak 132 #SUP 0.70 #QF 0.70)
&rst
ixpk= 132, nxpk= 0, iat= 192, 224, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 48 ASP H 113 ALA H 3.77 (#peak 135 #SUP 0.75 #QF 0.75)
&rst
ixpk= 135, nxpk= 0, iat= 224,1234, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 48 ASP HA 49 ASN H 2.90 (#peak 138 #SUP 0.68 #QF 0.68)
&rst
ixpk= 138, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 49 ASN H 49 ASN HD22 4.40 (#peak 140 #SUP 0.95 #QF 0.95)
&rst
ixpk= 140, nxpk= 0, iat= 236, 246, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 49 ASN H 49 ASN HD21 4.40 (#peak 145 #SUP 0.99 #QF 0.99)
&rst
ixpk= 145, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 49 ASN H 50 ALA H 4.46 (#peak 149 #SUP 0.94 #QF 0.94)
&rst
ixpk= 149, nxpk= 0, iat= 236, 250, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 50 ALA H 113 ALA H 5.17 (#peak 150 #SUP 0.99 #QF 0.95)
&rst
ixpk= 150, nxpk= 0, iat= 250,1234, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 50 ALA H 110 VAL H 3.73 (#peak 151 #SUP 0.99 #QF 0.99)
&rst
ixpk= 151, nxpk= 0, iat= 250,1178, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 50 ALA H 112 ARG H 5.21 (#peak 153 #SUP 0.97 #QF 0.97)
&rst
ixpk= 153, nxpk= 0, iat= 250,1210, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 50 ALA H 51 THR H 4.71 (#peak 155 #SUP 0.99 #QF 0.99)
&rst
ixpk= 155, nxpk= 0, iat= 250, 260, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 50 ALA H 109 SER HA 4.88 (#peak 157 #SUP 0.86 #QF 0.86)
&rst
ixpk= 157, nxpk= 0, iat= 250,1169, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 49 ASN HA 50 ALA H 2.93 (#peak 159 #SUP 0.86 #QF 0.86)
&rst
ixpk= 159, nxpk= 0, iat= 238, 250, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 50 ALA H 50 ALA QB 3.31 (#peak 160 #SUP 1.00)
&rst
ixpk= 160, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 254, 255, 256,
&end
#
# 44 VAL QG2 50 ALA H 4.65 (#peak 161 #SUP 0.94 #QF 0.45)
&rst
ixpk= 161, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 182, 183, 184,
&end
#
# 50 ALA H 110 VAL QG1 4.93 (#peak 161 #SUP 0.94 #QF 0.45)
&rst
ixpk= 161, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1184,1185,1186,
&end
#
# 44 VAL QG1 50 ALA H 4.56 (#peak 162 #SUP 0.99 #QF 0.99)
&rst
ixpk= 162, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 178, 179, 180,
&end
#
# 50 ALA H 110 VAL QG2 4.93 (#peak 163 #SUP 0.98 #QF 0.98)
&rst
ixpk= 163, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1188,1189,1190,
&end
#
# 50 ALA H 113 ALA QB 4.44 (#peak 164 #SUP 0.99 #QF 0.99)
&rst
ixpk= 164, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1238,1239,1240,
&end
#
# 50 ALA H 110 VAL HB 3.96 (#peak 165 #SUP 0.88 #QF 0.88)
&rst
ixpk= 165, nxpk= 0, iat= 250,1182, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 49 ASN HB2 50 ALA H 4.47 (#peak 166 #SUP 1.00)
&rst
ixpk= 166, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 49 ASN HB3 50 ALA H 4.47 (#peak 167 #SUP 0.85 #QF 0.85)
&rst
ixpk= 167, nxpk= 0, iat= 241, 250, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 50 ALA H 111 VAL HA 5.03 (#peak 168 #SUP 0.94 #QF 0.94)
&rst
ixpk= 168, nxpk= 0, iat= 250,1196, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 50 ALA HA 51 THR H 2.75 (#peak 170 #SUP 0.82 #QF 0.82)
&rst
ixpk= 170, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 51 THR H 51 THR HB 3.23 (#peak 171 #SUP 0.60 #QF 0.60)
&rst
ixpk= 171, nxpk= 0, iat= 260, 264, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 50 ALA QB 51 THR H 3.62 (#peak 172 #SUP 1.00)
&rst
ixpk= 172, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 254, 255, 256,
&end
#
# 44 VAL QG1 51 THR H 4.08 (#peak 173 #SUP 0.98 #QF 0.98)
&rst
ixpk= 173, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 178, 179, 180,
&end
#
# 42 LEU QD1 51 THR H 4.83 (#peak 174 #SUP 0.98 #QF 0.98)
&rst
ixpk= 174, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 146, 147, 148,
&end
#
# 51 THR H 51 THR QG2 4.22 (#peak 175 #SUP 0.99 #QF 0.99)
&rst
ixpk= 175, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 266, 267, 268,
&end
#
# 42 LEU QD2 51 THR H 4.83 (#peak 176 #SUP 0.86 #QF 0.86)
&rst
ixpk= 176, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 150, 151, 152,
&end
#
# 51 THR H 52 PHE H 4.58 (#peak 177 #SUP 0.98 #QF 0.98)
&rst
ixpk= 177, nxpk= 0, iat= 260, 274, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 52 PHE H 53 THR H 4.64 (#peak 178 #SUP 0.84 #QF 0.84)
&rst
ixpk= 178, nxpk= 0, iat= 274, 294, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 52 PHE H 52 PHE QD 3.80 (#peak 180 #SUP 0.95 #QF 0.95)
&rst
ixpk= 180, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 282, 290,
&end
#
# 52 PHE H 109 SER HA 4.22 (#peak 181 #SUP 0.71 #QF 0.71)
&rst
ixpk= 181, nxpk= 0, iat= 274,1169, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 51 THR HA 52 PHE H 3.05 (#peak 182 #SUP 0.95 #QF 0.89)
&rst
ixpk= 182, nxpk= 0, iat= 262, 274, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 52 PHE H 107 HIS HA 4.71 (#peak 183 #SUP 0.57 #QF 0.57)
&rst
ixpk= 183, nxpk= 0, iat= 274,1135, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 51 THR HB 52 PHE H 4.51 (#peak 184 #SUP 0.68 #QF 0.68)
&rst
ixpk= 184, nxpk= 0, iat= 264, 274, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 52 PHE H 52 PHE HB3 4.08 (#peak 185 #SUP 0.97 #QF 0.97)
&rst
ixpk= 185, nxpk= 0, iat= 274, 279, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 52 PHE H 52 PHE HB2 4.08 (#peak 186 #SUP 0.99 #QF 0.99)
&rst
ixpk= 186, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 51 THR QG2 52 PHE H 3.77 (#peak 188 #SUP 0.97 #QF 0.97)
&rst
ixpk= 188, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 266, 267, 268,
&end
#
# 52 PHE HB2 53 THR H 4.11 (#peak 189 #SUP 0.96 #QF 0.96)
&rst
ixpk= 189, nxpk= 0, iat= 278, 294, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 52 PHE HB3 53 THR H 4.11 (#peak 190 #SUP 1.00)
&rst
ixpk= 190, nxpk= 0, iat= 279, 294, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 52 PHE QD 53 THR H 4.13 (#peak 191 #SUP 0.99 #QF 0.99)
&rst
ixpk= 191, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 282, 290,
&end
#
# 53 THR H 53 THR QG2 4.42 (#peak 192 #SUP 1.00)
&rst
ixpk= 192, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 300, 301, 302,
&end
#
# 53 THR H 53 THR HB 3.62 (#peak 193 #SUP 0.65 #QF 0.65)
&rst
ixpk= 193, nxpk= 0, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 39 PRO QD 53 THR H 4.35 (#peak 194 #SUP 0.56 #QF 0.56)
&rst
ixpk= 194, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 95, 96,
&end
#
# 54 CYS H 106 PHE H 4.41 (#peak 196 #SUP 0.90 #QF 0.90)
&rst
ixpk= 196, nxpk= 0, iat= 308,1113, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 53 THR HA 54 CYS H 3.00 (#peak 198 #SUP 0.74 #QF 0.74)
&rst
ixpk= 198, nxpk= 0, iat= 296, 308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 CYS H 54 CYS HB2 4.12 (#peak 199 #SUP 0.75 #QF 0.75)
&rst
ixpk= 199, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 54 CYS H 54 CYS HB3 4.12 (#peak 200 #SUP 0.86 #QF 0.86)
&rst
ixpk= 200, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 53 THR QG2 54 CYS H 3.57 (#peak 202 #SUP 0.86 #QF 0.86)
&rst
ixpk= 202, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 300, 301, 302,
&end
#
# 37 PHE QD 55 SER H 5.07 (#peak 203 #SUP 0.95 #QF 0.95)
&rst
ixpk= 203, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 71, 79,
&end
#
# 54 CYS HA 55 SER H 3.17 (#peak 204 #SUP 0.86 #QF 0.86)
&rst
ixpk= 204, nxpk= 0, iat= 310, 318, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 35 PRO HA 55 SER H 4.49 (#peak 205 #SUP 0.78 #QF 0.78)
&rst
ixpk= 205, nxpk= 0, iat= 45, 318, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 55 SER H 56 PHE HA 5.16 (#peak 206 #SUP 0.76 #QF 0.76)
&rst
ixpk= 206, nxpk= 0, iat= 318, 331, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 55 SER H 55 SER HB2 4.08 (#peak 207 #SUP 0.98 #QF 0.98)
&rst
ixpk= 207, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 55 SER H 55 SER HB3 4.08 (#peak 208 #SUP 0.97 #QF 0.97)
&rst
ixpk= 208, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 55 SER HA 56 PHE H 3.33 (#peak 209 #SUP 0.91 #QF 0.91)
&rst
ixpk= 209, nxpk= 0, iat= 320, 329, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 35 PRO HA 56 PHE H 5.15 (#peak 210 #SUP 0.76 #QF 0.35)
&rst
ixpk= 210, nxpk= 0, iat= 45, 329, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 56 PHE H 105 ASP HA 5.40 (#peak 210 #SUP 0.76 #QF 0.35)
&rst
ixpk= 210, nxpk= 0, iat= 329,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 55 SER HB2 56 PHE H 4.73 (#peak 212 #SUP 0.95 #QF 0.95)
&rst
ixpk= 212, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 55 SER HB3 56 PHE H 4.73 (#peak 213 #SUP 0.94 #QF 0.94)
&rst
ixpk= 213, nxpk= 0, iat= 323, 329, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 56 PHE H 56 PHE QE 5.45 (#peak 215 #SUP 0.51 #QF 0.51)
&rst
ixpk= 215, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 339, 343,
&end
#
# 56 PHE HA 57 SER H 3.30 (#peak 217 #SUP 0.75 #QF 0.75)
&rst
ixpk= 217, nxpk= 0, iat= 331, 349, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 57 SER QB 58 ASN H 4.61 (#peak 220 #SUP 0.87 #QF 0.87)
&rst
ixpk= 220, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 353, 354,
&end
#
# 61 GLU H 61 GLU QG 4.13 (#peak 223 #SUP 0.73 #QF 0.73)
&rst
ixpk= 223, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 406, 407,
&end
#
# 60 SER H 61 GLU H 4.40 (#peak 226 #SUP 0.84 #QF 0.84)
&rst
ixpk= 226, nxpk= 0, iat= 388, 399, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 61 GLU HB3 62 SER H 4.35 (#peak 230 #SUP 0.91 #QF 0.91)
&rst
ixpk= 230, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 61 GLU HB2 62 SER H 4.35 (#peak 231 #SUP 0.90 #QF 0.81)
&rst
ixpk= 231, nxpk= 0, iat= 403, 414, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 86 ARG HB2 87 SER H 4.69 (#peak 231 #SUP 0.90 #QF 0.81)
&rst
ixpk= 231, nxpk= 0, iat= 799, 819, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 62 SER H 63 PHE H 4.57 (#peak 232 #SUP 0.99 #QF 0.99)
&rst
ixpk= 232, nxpk= 0, iat= 414, 425, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 62 SER HA 63 PHE H 2.91 (#peak 234 #SUP 0.83 #QF 0.83)
&rst
ixpk= 234, nxpk= 0, iat= 416, 425, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 62 SER HB3 63 PHE H 4.39 (#peak 235 #SUP 0.96 #QF 0.96)
&rst
ixpk= 235, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 62 SER HB2 63 PHE H 4.39 (#peak 236 #SUP 1.00)
&rst
ixpk= 236, nxpk= 0, iat= 418, 425, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 63 PHE H 63 PHE QD 3.81 (#peak 237 #SUP 0.79 #QF 0.79)
&rst
ixpk= 237, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 433, 441,
&end
#
# 63 PHE QD 64 VAL H 4.40 (#peak 240 #SUP 0.98 #QF 0.98)
&rst
ixpk= 240, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 433, 441,
&end
#
# 64 VAL H 126 ILE H 3.86 (#peak 241 #SUP 0.95 #QF 0.95)
&rst
ixpk= 241, nxpk= 0, iat= 445,1417, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 63 PHE HA 64 VAL H 3.27 (#peak 243 #SUP 0.96 #QF 0.96)
&rst
ixpk= 243, nxpk= 0, iat= 427, 445, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 63 PHE HB3 64 VAL H 3.96 (#peak 245 #SUP 0.99 #QF 0.99)
&rst
ixpk= 245, nxpk= 0, iat= 430, 445, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 63 PHE HB2 64 VAL H 3.96 (#peak 246 #SUP 0.99 #QF 0.99)
&rst
ixpk= 246, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 64 VAL H 64 VAL HB 3.76 (#peak 247 #SUP 0.94 #QF 0.94)
&rst
ixpk= 247, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 64 VAL H 64 VAL QQG 3.78 (#peak 248 #SUP 1.00)
&rst
ixpk= 248, nxpk= 0, iat= 445, 448, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 64 VAL H 126 ILE QG2 4.17 (#peak 248 #SUP 1.00)
&rst
ixpk= 248, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1423,1424,1425,
&end
#
# 64 VAL QQG 65 LEU H 3.85 (#peak 249 #SUP 0.99 #QF 0.99)
&rst
ixpk= 249, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 65 LEU H 65 LEU HB2 4.08 (#peak 250 #SUP 0.94 #QF 0.94)
&rst
ixpk= 250, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 LEU H 65 LEU HB3 4.11 (#peak 251 #SUP 0.96 #QF 0.96)
&rst
ixpk= 251, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 64 VAL HB 65 LEU H 4.42 (#peak 252 #SUP 0.98 #QF 0.98)
&rst
ixpk= 252, nxpk= 0, iat= 449, 461, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 VAL HA 65 LEU H 3.13 (#peak 255 #SUP 0.92 #QF 0.86)
&rst
ixpk= 255, nxpk= 0, iat= 447, 461, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 63 PHE QD 65 LEU H 4.50 (#peak 256 #SUP 0.75 #QF 0.75)
&rst
ixpk= 256, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 433, 441,
&end
#
# 65 LEU HA 66 ASN H 3.15 (#peak 258 #SUP 0.85 #QF 0.85)
&rst
ixpk= 258, nxpk= 0, iat= 463, 480, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 65 LEU HB3 66 ASN H 4.58 (#peak 260 #SUP 1.00 #QF 0.73)
&rst
ixpk= 260, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 64 VAL QQG 66 ASN H 4.61 (#peak 262 #SUP 0.68 #QF 0.68)
&rst
ixpk= 262, nxpk= 0, iat= 448, 480, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 66 ASN H 66 ASN HD21 5.50 (#peak 263 #SUP 0.98 #QF 0.90)
&rst
ixpk= 263, nxpk= 0, iat= 480, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ASN H 66 ASN HD22 5.50 (#peak 263 #SUP 0.98 #QF 0.90)
&rst
ixpk= 263, nxpk= 0, iat= 480, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ASN HA 67 TRP H 3.07 (#peak 268 #SUP 0.91 #QF 0.91)
&rst
ixpk= 268, nxpk= 0, iat= 482, 494, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 66 ASN H 67 TRP H 4.98 (#peak 269 #SUP 0.98 #QF 0.79)
&rst
ixpk= 269, nxpk= 0, iat= 480, 494, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 67 TRP H 79 LEU H 5.38 (#peak 269 #SUP 0.98 #QF 0.79)
&rst
ixpk= 269, nxpk= 0, iat= 494, 695, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 67 TRP H 80 ALA H 3.75 (#peak 271 #SUP 0.96 #QF 0.96)
&rst
ixpk= 271, nxpk= 0, iat= 494, 714, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 67 TRP H 67 TRP HB2 3.79 (#peak 272 #SUP 0.98 #QF 0.98)
&rst
ixpk= 272, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 67 TRP H 67 TRP HB3 3.79 (#peak 273 #SUP 0.97 #QF 0.97)
&rst
ixpk= 273, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 67 TRP H 81 ALA QB 4.45 (#peak 276 #SUP 0.80 #QF 0.80)
&rst
ixpk= 276, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 728, 729, 730,
&end
#
# 67 TRP H 80 ALA QB 4.54 (#peak 277 #SUP 0.85 #QF 0.85)
&rst
ixpk= 277, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 718, 719, 720,
&end
#
# 67 TRP H 78 LYS QG 4.31 (#peak 278 #SUP 0.72 #QF 0.72)
&rst
ixpk= 278, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 680, 681,
&end
#
# 67 TRP HA 68 TYR H 3.41 (#peak 282 #SUP 0.90 #QF 0.90)
&rst
ixpk= 282, nxpk= 0, iat= 496, 518, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 68 TYR H 68 TYR QD 4.06 (#peak 284 #SUP 0.90 #QF 0.90)
&rst
ixpk= 284, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 526, 535,
&end
#
# 68 TYR HB2 69 ARG H 3.99 (#peak 286 #SUP 0.97 #QF 0.97)
&rst
ixpk= 286, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 68 TYR HB3 69 ARG H 3.99 (#peak 287 #SUP 0.99 #QF 0.99)
&rst
ixpk= 287, nxpk= 0, iat= 523, 539, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 69 ARG H 69 ARG HB2 3.98 (#peak 288 #SUP 0.84 #QF 0.84)
&rst
ixpk= 288, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 69 ARG H 69 ARG HB3 3.98 (#peak 289 #SUP 1.00)
&rst
ixpk= 289, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 69 ARG H 79 LEU HG 4.29 (#peak 290 #SUP 0.94 #QF 0.94)
&rst
ixpk= 290, nxpk= 0, iat= 539, 702, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 69 ARG H 79 LEU QD2 4.75 (#peak 291 #SUP 0.90 #QF 0.90)
&rst
ixpk= 291, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 708, 709, 710,
&end
#
# 68 TYR HA 69 ARG H 3.28 (#peak 293 #SUP 0.97 #QF 0.97)
&rst
ixpk= 293, nxpk= 0, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 68 TYR QD 69 ARG H 4.33 (#peak 294 #SUP 1.00)
&rst
ixpk= 294, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 526, 535,
&end
#
# 69 ARG H 77 ASP H 3.70 (#peak 296 #SUP 0.88 #QF 0.88)
&rst
ixpk= 296, nxpk= 0, iat= 539, 661, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 68 TYR H 69 ARG H 4.79 (#peak 297 #SUP 0.98 #QF 0.98)
&rst
ixpk= 297, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 69 ARG H 79 LEU H 5.29 (#peak 297 #SUP 0.98 #QF 0.98)
&rst
ixpk= 297, nxpk= 0, iat= 539, 695, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 68 TYR H 122 LEU H 4.15 (#peak 298 #SUP 0.91 #QF 0.91)
&rst
ixpk= 298, nxpk= 0, iat= 518,1371, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 MET H 71 SER H 4.62 (#peak 300 #SUP 0.97 #QF 0.97)
&rst
ixpk= 300, nxpk= 0, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 71 SER H 74 ASN H 5.03 (#peak 301 #SUP 0.77 #QF 0.77)
&rst
ixpk= 301, nxpk= 0, iat= 580, 616, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 69 ARG H 70 MET H 4.74 (#peak 302 #SUP 1.00 #QF 0.99)
&rst
ixpk= 302, nxpk= 0, iat= 539, 563, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 70 MET H 120 THR H 5.13 (#peak 302 #SUP 1.00 #QF 0.99)
&rst
ixpk= 302, nxpk= 0, iat= 563,1336, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 69 ARG HA 70 MET H 3.10 (#peak 304 #SUP 0.94 #QF 0.94)
&rst
ixpk= 304, nxpk= 0, iat= 541, 563, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 70 MET H 121 TYR HA 3.85 (#peak 305 #SUP 0.78 #QF 0.78)
&rst
ixpk= 305, nxpk= 0, iat= 563,1352, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 70 MET H 120 THR HB 4.28 (#peak 306 #SUP 0.96 #QF 0.96)
&rst
ixpk= 306, nxpk= 0, iat= 563,1340, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 70 MET H 70 MET HG3 4.38 (#peak 307 #SUP 0.92 #QF 0.92)
&rst
ixpk= 307, nxpk= 0, iat= 563, 571, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 70 MET H 70 MET HG2 4.38 (#peak 308 #SUP 0.95 #QF 0.95)
&rst
ixpk= 308, nxpk= 0, iat= 563, 570, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 70 MET H 70 MET HB3 3.87 (#peak 309 #SUP 1.00)
&rst
ixpk= 309, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 70 MET H 70 MET HB2 3.87 (#peak 310 #SUP 0.98 #QF 0.98)
&rst
ixpk= 310, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 69 ARG HG3 70 MET H 3.47 (#peak 312 #SUP 0.89 #QF 0.89)
&rst
ixpk= 312, nxpk= 0, iat= 547, 563, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 69 ARG HG2 70 MET H 3.88 (#peak 313 #SUP 0.97 #QF 0.97)
&rst
ixpk= 313, nxpk= 0, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 70 MET H 122 LEU QQD 4.64 (#peak 314 #SUP 0.95 #QF 0.95)
&rst
ixpk= 314, nxpk= 0, iat= 563,1377, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end
#
# 70 MET HB3 71 SER H 4.69 (#peak 315 #SUP 0.98 #QF 0.98)
&rst
ixpk= 315, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 70 MET QE 71 SER H 4.39 (#peak 316 #SUP 0.76 #QF 0.76)
&rst
ixpk= 316, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 574, 575, 576,
&end
#
# 70 MET HB2 71 SER H 4.69 (#peak 317 #SUP 0.96 #QF 0.96)
&rst
ixpk= 317, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 70 MET HA 71 SER H 2.88 (#peak 318 #SUP 0.82 #QF 0.82)
&rst
ixpk= 318, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 71 SER H 76 THR HA 3.91 (#peak 319 #SUP 0.73 #QF 0.73)
&rst
ixpk= 319, nxpk= 0, iat= 580, 649, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 71 SER H 71 SER HB2 3.96 (#peak 320 #SUP 0.98 #QF 0.98)
&rst
ixpk= 320, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 71 SER H 71 SER HB3 3.96 (#peak 321 #SUP 0.88 #QF 0.88)
&rst
ixpk= 321, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 71 SER H 75 GLN H 3.85 (#peak 323 #SUP 0.97 #QF 0.97)
&rst
ixpk= 323, nxpk= 0, iat= 580, 630, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 73 SER H 74 ASN H 3.97 (#peak 325 #SUP 0.90 #QF 0.90)
&rst
ixpk= 325, nxpk= 0, iat= 605, 616, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 74 ASN H 74 ASN HA 2.77 (#peak 329 #SUP 0.92 #QF 0.92)
&rst
ixpk= 329, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 72 PRO HA 74 ASN H 4.04 (#peak 330 #SUP 0.99 #QF 0.40)
&rst
ixpk= 330, nxpk= 0, iat= 601, 616, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 74 ASN H 74 ASN HB3 4.12 (#peak 331 #SUP 1.00)
&rst
ixpk= 331, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 74 ASN H 74 ASN HB2 4.12 (#peak 332 #SUP 0.99 #QF 0.99)
&rst
ixpk= 332, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 74 ASN H 75 GLN H 3.30 (#peak 334 #SUP 0.98 #QF 0.98)
&rst
ixpk= 334, nxpk= 0, iat= 616, 630, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 74 ASN HA 75 GLN H 3.49 (#peak 336 #SUP 0.98 #QF 0.98)
&rst
ixpk= 336, nxpk= 0, iat= 618, 630, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 72 PRO HD2 75 GLN H 5.50 (#peak 337 #SUP 0.93 #QF 0.49)
&rst
ixpk= 337, nxpk= 0, iat= 592, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLN H 75 GLN QG 3.50 (#peak 339 #SUP 0.89 #QF 0.89)
&rst
ixpk= 339, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 637, 638,
&end
#
# 75 GLN H 75 GLN HB2 3.92 (#peak 340 #SUP 1.00)
&rst
ixpk= 340, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 75 GLN H 75 GLN HB3 3.92 (#peak 341 #SUP 0.92 #QF 0.92)
&rst
ixpk= 341, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 75 GLN HA 76 THR H 2.81 (#peak 342 #SUP 0.83 #QF 0.83)
&rst
ixpk= 342, nxpk= 0, iat= 632, 647, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 76 THR H 76 THR HB 4.14 (#peak 343 #SUP 0.92 #QF 0.92)
&rst
ixpk= 343, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 75 GLN QG 76 THR H 4.15 (#peak 344 #SUP 1.00)
&rst
ixpk= 344, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 637, 638,
&end
#
# 75 GLN HB2 76 THR H 3.88 (#peak 345 #SUP 0.97 #QF 0.97)
&rst
ixpk= 345, nxpk= 0, iat= 634, 647, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 75 GLN HB3 76 THR H 3.88 (#peak 346 #SUP 0.99 #QF 0.99)
&rst
ixpk= 346, nxpk= 0, iat= 635, 647, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 76 THR H 76 THR QG2 3.58 (#peak 347 #SUP 0.77 #QF 0.77)
&rst
ixpk= 347, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 653, 654, 655,
&end
#
# 76 THR QG2 77 ASP H 3.82 (#peak 348 #SUP 0.99 #QF 0.99)
&rst
ixpk= 348, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 653, 654, 655,
&end
#
# 76 THR HA 77 ASP H 2.92 (#peak 350 #SUP 0.84 #QF 0.84)
&rst
ixpk= 350, nxpk= 0, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 76 THR HB 77 ASP H 3.82 (#peak 351 #SUP 0.97 #QF 0.97)
&rst
ixpk= 351, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 77 ASP H 77 ASP HB3 3.72 (#peak 352 #SUP 0.98 #QF 0.98)
&rst
ixpk= 352, nxpk= 0, iat= 661, 666, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 77 ASP H 77 ASP HB2 3.40 (#peak 353 #SUP 0.92 #QF 0.92)
&rst
ixpk= 353, nxpk= 0, iat= 661, 665, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 69 ARG HG2 77 ASP H 4.90 (#peak 354 #SUP 0.61 #QF 0.61)
&rst
ixpk= 354, nxpk= 0, iat= 546, 661, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 78 LYS H 79 LEU H 4.61 (#peak 355 #SUP 1.00)
&rst
ixpk= 355, nxpk= 0, iat= 673, 695, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 68 TYR QD 78 LYS H 4.06 (#peak 356 #SUP 0.83 #QF 0.83)
&rst
ixpk= 356, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 526, 535,
&end
#
# 77 ASP HA 78 LYS H 2.81 (#peak 357 #SUP 0.72 #QF 0.72)
&rst
ixpk= 357, nxpk= 0, iat= 663, 673, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 78 LYS H 78 LYS HB3 3.37 (#peak 359 #SUP 0.95 #QF 0.95)
&rst
ixpk= 359, nxpk= 0, iat= 673, 678, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 78 LYS H 78 LYS HB2 3.37 (#peak 360 #SUP 0.97 #QF 0.97)
&rst
ixpk= 360, nxpk= 0, iat= 673, 677, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 77 ASP HB3 78 LYS H 3.97 (#peak 361 #SUP 0.98 #QF 0.98)
&rst
ixpk= 361, nxpk= 0, iat= 666, 673, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 77 ASP HB2 78 LYS H 4.44 (#peak 362 #SUP 1.00)
&rst
ixpk= 362, nxpk= 0, iat= 665, 673, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 78 LYS H 78 LYS QG 4.08 (#peak 363 #SUP 0.99 #QF 0.99)
&rst
ixpk= 363, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 680, 681,
&end
#
# 79 LEU H 79 LEU HB2 3.93 (#peak 364 #SUP 0.94 #QF 0.94)
&rst
ixpk= 364, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 79 LEU H 79 LEU HG 3.57 (#peak 366 #SUP 0.90 #QF 0.90)
&rst
ixpk= 366, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 78 LYS QG 79 LEU H 3.81 (#peak 367 #SUP 0.83 #QF 0.83)
&rst
ixpk= 367, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 680, 681,
&end
#
# 79 LEU H 80 ALA QB 5.34 (#peak 368 #SUP 0.99 #QF 0.98)
&rst
ixpk= 368, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 718, 719, 720,
&end
#
# 78 LYS HA 79 LEU H 3.28 (#peak 370 #SUP 0.96 #QF 0.96)
&rst
ixpk= 370, nxpk= 0, iat= 675, 695, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 68 TYR HA 79 LEU H 3.98 (#peak 371 #SUP 0.92 #QF 0.92)
&rst
ixpk= 371, nxpk= 0, iat= 520, 695, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 79 LEU H 80 ALA H 3.34 (#peak 373 #SUP 0.98 #QF 0.98)
&rst
ixpk= 373, nxpk= 0, iat= 695, 714, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 78 LYS HA 80 ALA H 4.20 (#peak 377 #SUP 0.94 #QF 0.94)
&rst
ixpk= 377, nxpk= 0, iat= 675, 714, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 67 TRP HB3 80 ALA H 4.30 (#peak 379 #SUP 0.94 #QF 0.94)
&rst
ixpk= 379, nxpk= 0, iat= 499, 714, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 67 TRP HB2 80 ALA H 4.30 (#peak 380 #SUP 0.98 #QF 0.98)
&rst
ixpk= 380, nxpk= 0, iat= 498, 714, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 ALA H 80 ALA QB 3.63 (#peak 381 #SUP 1.00)
&rst
ixpk= 381, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 718, 719, 720,
&end
#
# 78 LYS QG 80 ALA H 3.63 (#peak 382 #SUP 0.79 #QF 0.79)
&rst
ixpk= 382, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 680, 681,
&end
#
# 79 LEU HB2 80 ALA H 3.77 (#peak 383 #SUP 0.89 #QF 0.89)
&rst
ixpk= 383, nxpk= 0, iat= 699, 714, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 79 LEU HB3 80 ALA H 4.09 (#peak 384 #SUP 0.99 #QF 0.99)
&rst
ixpk= 384, nxpk= 0, iat= 700, 714, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 81 ALA H 81 ALA QB 3.24 (#peak 385 #SUP 1.00)
&rst
ixpk= 385, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 728, 729, 730,
&end
#
# 80 ALA QB 81 ALA H 3.17 (#peak 386 #SUP 0.95 #QF 0.95)
&rst
ixpk= 386, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 718, 719, 720,
&end
#
# 80 ALA HA 81 ALA H 2.94 (#peak 389 #SUP 0.84 #QF 0.84)
&rst
ixpk= 389, nxpk= 0, iat= 716, 724, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 81 ALA H 84 GLU HA 4.74 (#peak 390 #SUP 0.76 #QF 0.76)
&rst
ixpk= 390, nxpk= 0, iat= 724, 770, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 80 ALA H 81 ALA H 4.58 (#peak 391 #SUP 0.99 #QF 0.99)
&rst
ixpk= 391, nxpk= 0, iat= 714, 724, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 81 ALA HA 82 PHE H 3.17 (#peak 393 #SUP 0.91 #QF 0.91)
&rst
ixpk= 393, nxpk= 0, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 81 ALA QB 82 PHE H 3.46 (#peak 394 #SUP 0.96 #QF 0.96)
&rst
ixpk= 394, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 728, 729, 730,
&end
#
# 64 VAL QQG 82 PHE H 4.21 (#peak 395 #SUP 0.84 #QF 0.84)
&rst
ixpk= 395, nxpk= 0, iat= 448, 734, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 82 PHE H 97 VAL QG1 4.98 (#peak 396 #SUP 0.63 #QF 0.63)
&rst
ixpk= 396, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 982, 983, 984,
&end
#
# 82 PHE H 97 VAL QG2 4.98 (#peak 397 #SUP 0.96 #QF 0.96)
&rst
ixpk= 397, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 986, 987, 988,
&end
#
# 82 PHE H 82 PHE QD 4.76 (#peak 398 #SUP 0.97 #QF 0.97)
&rst
ixpk= 398, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 742, 750,
&end
#
# 82 PHE HA 84 GLU H 3.64 (#peak 400 #SUP 0.88 #QF 0.88)
&rst
ixpk= 400, nxpk= 0, iat= 736, 768, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 83 PRO HA 84 GLU H 2.90 (#peak 401 #SUP 0.86 #QF 0.86)
&rst
ixpk= 401, nxpk= 0, iat= 764, 768, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 84 GLU H 84 GLU QG 3.59 (#peak 402 #SUP 0.90 #QF 0.90)
&rst
ixpk= 402, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 775, 776,
&end
#
# 84 GLU H 84 GLU HB2 3.89 (#peak 403 #SUP 0.86 #QF 0.86)
&rst
ixpk= 403, nxpk= 0, iat= 768, 772, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 84 GLU H 84 GLU HB3 3.89 (#peak 404 #SUP 0.99 #QF 0.99)
&rst
ixpk= 404, nxpk= 0, iat= 768, 773, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 83 PRO HB3 84 GLU H 3.79 (#peak 405 #SUP 0.98 #QF 0.98)
&rst
ixpk= 405, nxpk= 0, iat= 762, 768, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 83 PRO HB2 84 GLU H 3.79 (#peak 406 #SUP 0.89 #QF 0.89)
&rst
ixpk= 406, nxpk= 0, iat= 761, 768, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 84 GLU HA 85 ASP H 2.79 (#peak 408 #SUP 0.65 #QF 0.65)
&rst
ixpk= 408, nxpk= 0, iat= 770, 783, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 85 ASP H 85 ASP HB2 3.71 (#peak 409 #SUP 0.94 #QF 0.94)
&rst
ixpk= 409, nxpk= 0, iat= 783, 787, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 85 ASP H 85 ASP HB3 3.71 (#peak 410 #SUP 0.87 #QF 0.87)
&rst
ixpk= 410, nxpk= 0, iat= 783, 788, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 133 GLN QG 134 ILE H 3.97 (#peak 411 #SUP 0.82 #QF 0.66)
&rst
ixpk= 411, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1529,1530,
&end
#
# 81 ALA QB 85 ASP H 4.30 (#peak 412 #SUP 0.62 #QF 0.62)
&rst
ixpk= 412, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 728, 729, 730,
&end
#
# 85 ASP HA 86 ARG H 3.17 (#peak 413 #SUP 0.60 #QF 0.26)
&rst
ixpk= 413, nxpk= 0, iat= 785, 795, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 135 LYS HA 136 GLU H 3.29 (#peak 413 #SUP 0.60 #QF 0.26)
&rst
ixpk= 413, nxpk= 0, iat=1560,1580, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 86 ARG H 86 ARG HB2 4.16 (#peak 414 #SUP 0.97 #QF 0.83)
&rst
ixpk= 414, nxpk= 0, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 86 ARG H 86 ARG HB3 4.16 (#peak 416 #SUP 0.91 #QF 0.91)
&rst
ixpk= 416, nxpk= 0, iat= 795, 800, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 91 GLN QG 92 ASP H 4.30 (#peak 417 #SUP 0.79 #QF 0.79)
&rst
ixpk= 417, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 875, 876,
&end
#
# 61 GLU H 62 SER H 4.19 (#peak 418 #SUP 0.99 #QF 0.29)
&rst
ixpk= 418, nxpk= 0, iat= 399, 414, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 87 SER H 88 GLN H 3.86 (#peak 419 #SUP 0.83 #QF 0.83)
&rst
ixpk= 419, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 86 ARG H 87 SER H 3.74 (#peak 420 #SUP 0.74 #QF 0.74)
&rst
ixpk= 420, nxpk= 0, iat= 795, 819, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 87 SER H 87 SER HB2 4.19 (#peak 422 #SUP 0.96 #QF 0.64)
&rst
ixpk= 422, nxpk= 0, iat= 819, 823, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 87 SER H 87 SER HB3 4.19 (#peak 422 #SUP 0.96 #QF 0.64)
&rst
ixpk= 422, nxpk= 0, iat= 819, 824, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 86 ARG HB3 87 SER H 4.69 (#peak 423 #SUP 0.89 #QF 0.89)
&rst
ixpk= 423, nxpk= 0, iat= 800, 819, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 88 GLN H 88 GLN QG 3.93 (#peak 424 #SUP 0.98 #QF 0.98)
&rst
ixpk= 424, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 837, 838,
&end
#
# 88 GLN H 88 GLN HB2 3.67 (#peak 425 #SUP 0.99 #QF 0.99)
&rst
ixpk= 425, nxpk= 0, iat= 830, 834, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 88 GLN H 88 GLN HB3 3.67 (#peak 426 #SUP 0.98 #QF 0.98)
&rst
ixpk= 426, nxpk= 0, iat= 830, 835, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 87 SER HB2 88 GLN H 5.22 (#peak 427 #SUP 0.99 #QF 0.92)
&rst
ixpk= 427, nxpk= 0, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 87 SER HB3 88 GLN H 5.22 (#peak 427 #SUP 0.99 #QF 0.92)
&rst
ixpk= 427, nxpk= 0, iat= 824, 830, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 90 GLY H 91 GLN H 4.13 (#peak 431 #SUP 0.98 #QF 0.96)
&rst
ixpk= 431, nxpk= 0, iat= 861, 868, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 91 GLN H 91 GLN QG 4.14 (#peak 433 #SUP 0.99 #QF 0.99)
&rst
ixpk= 433, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 875, 876,
&end
#
# 91 GLN H 91 GLN HB2 3.80 (#peak 434 #SUP 0.99 #QF 0.99)
&rst
ixpk= 434, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 91 GLN H 91 GLN HB3 3.80 (#peak 435 #SUP 0.96 #QF 0.96)
&rst
ixpk= 435, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 91 GLN HA 92 ASP H 3.45 (#peak 439 #SUP 0.81 #QF 0.71)
&rst
ixpk= 439, nxpk= 0, iat= 870, 885, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 91 GLN H 92 ASP H 4.65 (#peak 440 #SUP 0.93 #QF 0.93)
&rst
ixpk= 440, nxpk= 0, iat= 868, 885, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 93 SER H 93 SER HB2 3.90 (#peak 442 #SUP 0.93 #QF 0.93)
&rst
ixpk= 442, nxpk= 0, iat= 897, 901, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 93 SER H 93 SER HB3 3.90 (#peak 443 #SUP 0.98 #QF 0.98)
&rst
ixpk= 443, nxpk= 0, iat= 897, 902, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 93 SER HA 94 ARG H 3.54 (#peak 445 #SUP 0.98 #QF 0.98)
&rst
ixpk= 445, nxpk= 0, iat= 899, 908, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 94 ARG H 94 ARG HB3 3.81 (#peak 446 #SUP 0.83 #QF 0.78)
&rst
ixpk= 446, nxpk= 0, iat= 908, 913, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 94 ARG H 94 ARG HG2 3.98 (#peak 446 #SUP 0.83 #QF 0.78)
&rst
ixpk= 446, nxpk= 0, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 94 ARG H 94 ARG HG3 3.98 (#peak 447 #SUP 0.95 #QF 0.95)
&rst
ixpk= 447, nxpk= 0, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 94 ARG H 94 ARG HB2 3.81 (#peak 448 #SUP 0.93 #QF 0.93)
&rst
ixpk= 448, nxpk= 0, iat= 908, 912, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 94 ARG H 95 PHE H 3.44 (#peak 450 #SUP 0.99 #QF 0.99)
&rst
ixpk= 450, nxpk= 0, iat= 908, 932, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 94 ARG H 95 PHE QD 4.81 (#peak 451 #SUP 0.80 #QF 0.80)
&rst
ixpk= 451, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 940, 948,
&end
#
# 93 SER HA 95 PHE H 5.12 (#peak 454 #SUP 0.85 #QF 0.85)
&rst
ixpk= 454, nxpk= 0, iat= 899, 932, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 96 ARG H 108 MET HA 5.15 (#peak 455 #SUP 0.89 #QF 0.57)
&rst
ixpk= 455, nxpk= 0, iat= 952,1152, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 96 ARG H 110 VAL HA 5.40 (#peak 455 #SUP 0.89 #QF 0.57)
&rst
ixpk= 455, nxpk= 0, iat= 952,1180, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 96 ARG H 96 ARG HB3 4.00 (#peak 457 #SUP 0.99 #QF 0.99)
&rst
ixpk= 457, nxpk= 0, iat= 952, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 96 ARG HB2 4.00 (#peak 458 #SUP 0.97 #QF 0.97)
&rst
ixpk= 458, nxpk= 0, iat= 952, 956, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 VAL HA 98 THR H 3.02 (#peak 462 #SUP 0.83 #QF 0.83)
&rst
ixpk= 462, nxpk= 0, iat= 978, 992, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 98 THR H 108 MET HA 4.32 (#peak 464 #SUP 0.89 #QF 0.89)
&rst
ixpk= 464, nxpk= 0, iat= 992,1152, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 98 THR H 98 THR HB 3.80 (#peak 465 #SUP 0.99 #QF 0.99)
&rst
ixpk= 465, nxpk= 0, iat= 992, 996, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 98 THR H 98 THR QG2 4.01 (#peak 466 #SUP 0.99 #QF 0.99)
&rst
ixpk= 466, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 998, 999,1000,
&end
#
# 98 THR H 107 HIS HB2 4.66 (#peak 468 #SUP 0.99 #QF 0.99)
&rst
ixpk= 468, nxpk= 0, iat= 992,1137, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 98 THR H 107 HIS HB3 4.66 (#peak 469 #SUP 0.73 #QF 0.73)
&rst
ixpk= 469, nxpk= 0, iat= 992,1138, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 97 VAL HB 98 THR H 4.49 (#peak 470 #SUP 1.00)
&rst
ixpk= 470, nxpk= 0, iat= 980, 992, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 98 THR QG2 99 GLN H 3.69 (#peak 471 #SUP 0.89 #QF 0.89)
&rst
ixpk= 471, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 998, 999,1000,
&end
#
# 99 GLN H 99 GLN HB3 4.13 (#peak 472 #SUP 0.95 #QF 0.89)
&rst
ixpk= 472, nxpk= 0, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 99 GLN H 99 GLN HB2 4.13 (#peak 473 #SUP 0.85 #QF 0.85)
&rst
ixpk= 473, nxpk= 0, iat=1006,1010, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 98 THR HB 99 GLN H 4.25 (#peak 475 #SUP 0.97 #QF 0.97)
&rst
ixpk= 475, nxpk= 0, iat= 996,1006, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 100 LEU H 106 PHE HA 3.78 (#peak 477 #SUP 0.90 #QF 0.90)
&rst
ixpk= 477, nxpk= 0, iat=1023,1115, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 99 GLN HA 100 LEU H 3.07 (#peak 478 #SUP 0.86 #QF 0.86)
&rst
ixpk= 478, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 99 GLN HB2 100 LEU H 4.71 (#peak 480 #SUP 0.94 #QF 0.94)
&rst
ixpk= 480, nxpk= 0, iat=1010,1023, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 100 LEU H 100 LEU QB 3.20 (#peak 481 #SUP 0.99 #QF 0.99)
&rst
ixpk= 481, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1027,1028,
&end
#
# 99 GLN HB3 100 LEU H 4.71 (#peak 482 #SUP 1.00 #QF 0.72)
&rst
ixpk= 482, nxpk= 0, iat=1011,1023, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 100 LEU H 100 LEU HG 4.91 (#peak 482 #SUP 1.00 #QF 0.72)
&rst
ixpk= 482, nxpk= 0, iat=1023,1030, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 100 LEU H 100 LEU QD2 4.03 (#peak 483 #SUP 0.96 #QF 0.96)
&rst
ixpk= 483, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1036,1037,1038,
&end
#
# 100 LEU H 100 LEU QD1 4.03 (#peak 484 #SUP 0.96 #QF 0.96)
&rst
ixpk= 484, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1032,1033,1034,
&end
#
# 100 LEU H 106 PHE QD 4.63 (#peak 485 #SUP 0.83 #QF 0.83)
&rst
ixpk= 485, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1121,1129,
&end
#
# 101 PRO QD 102 ASN H 4.17 (#peak 487 #SUP 0.95 #QF 0.21)
&rst
ixpk= 487, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1043,1044,
&end
#
# 102 ASN H 102 ASN HB2 4.15 (#peak 490 #SUP 0.94 #QF 0.94)
&rst
ixpk= 490, nxpk= 0, iat=1056,1060, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 102 ASN H 102 ASN HB3 4.15 (#peak 491 #SUP 0.97 #QF 0.97)
&rst
ixpk= 491, nxpk= 0, iat=1056,1061, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 100 LEU QB 102 ASN H 3.84 (#peak 492 #SUP 0.78 #QF 0.78)
&rst
ixpk= 492, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1027,1028,
&end
#
# 100 LEU HG 102 ASN H 5.02 (#peak 495 #SUP 0.69 #QF 0.69)
&rst
ixpk= 495, nxpk= 0, iat=1030,1056, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 100 LEU QB 103 GLY H 4.02 (#peak 496 #SUP 0.69 #QF 0.69)
&rst
ixpk= 496, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1027,1028,
&end
#
# 103 GLY H 105 ASP HB2 4.86 (#peak 497 #SUP 0.80 #QF 0.80)
&rst
ixpk= 497, nxpk= 0, iat=1070,1105, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 101 PRO HA 103 GLY H 4.09 (#peak 500 #SUP 0.60 #QF 0.60)
&rst
ixpk= 500, nxpk= 0, iat=1052,1070, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 102 ASN H 103 GLY H 3.63 (#peak 502 #SUP 0.98 #QF 0.98)
&rst
ixpk= 502, nxpk= 0, iat=1056,1070, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 103 GLY H 104 ARG H 3.65 (#peak 503 #SUP 0.94 #QF 0.94)
&rst
ixpk= 503, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 104 ARG H 104 ARG QB 3.64 (#peak 506 #SUP 1.00)
&rst
ixpk= 506, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1081,1082,
&end
#
# 104 ARG H 104 ARG HG3 4.52 (#peak 507 #SUP 0.84 #QF 0.84)
&rst
ixpk= 507, nxpk= 0, iat=1077,1085, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 104 ARG H 104 ARG HG2 4.52 (#peak 508 #SUP 0.90 #QF 0.90)
&rst
ixpk= 508, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 104 ARG H 105 ASP HB3 5.04 (#peak 509 #SUP 0.78 #QF 0.78)
&rst
ixpk= 509, nxpk= 0, iat=1077,1106, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 103 GLY H 105 ASP H 4.60 (#peak 515 #SUP 0.95 #QF 0.95)
&rst
ixpk= 515, nxpk= 0, iat=1070,1101, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 104 ARG H 105 ASP H 3.45 (#peak 516 #SUP 0.89 #QF 0.89)
&rst
ixpk= 516, nxpk= 0, iat=1077,1101, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 105 ASP H 105 ASP HB3 3.58 (#peak 519 #SUP 0.88 #QF 0.88)
&rst
ixpk= 519, nxpk= 0, iat=1101,1106, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 105 ASP H 105 ASP HB2 3.78 (#peak 520 #SUP 0.98 #QF 0.98)
&rst
ixpk= 520, nxpk= 0, iat=1101,1105, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 104 ARG QB 105 ASP H 4.11 (#peak 522 #SUP 1.00)
&rst
ixpk= 522, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1081,1082,
&end
#
# 100 LEU QB 105 ASP H 4.49 (#peak 523 #SUP 0.57 #QF 0.57)
&rst
ixpk= 523, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1027,1028,
&end
#
# 105 ASP HB2 106 PHE H 4.19 (#peak 525 #SUP 0.97 #QF 0.97)
&rst
ixpk= 525, nxpk= 0, iat=1105,1113, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 105 ASP HB3 106 PHE H 4.30 (#peak 526 #SUP 0.90 #QF 0.54)
&rst
ixpk= 526, nxpk= 0, iat=1106,1113, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 105 ASP HA 106 PHE H 3.27 (#peak 529 #SUP 0.90 #QF 0.90)
&rst
ixpk= 529, nxpk= 0, iat=1103,1113, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 55 SER HA 106 PHE H 4.76 (#peak 530 #SUP 0.69 #QF 0.69)
&rst
ixpk= 530, nxpk= 0, iat= 320,1113, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 106 PHE H 106 PHE QD 4.19 (#peak 531 #SUP 0.85 #QF 0.85)
&rst
ixpk= 531, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1121,1129,
&end
#
# 106 PHE QD 107 HIS H 4.52 (#peak 533 #SUP 0.98 #QF 0.98)
&rst
ixpk= 533, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1121,1129,
&end
#
# 106 PHE HA 107 HIS H 3.11 (#peak 535 #SUP 0.90 #QF 0.90)
&rst
ixpk= 535, nxpk= 0, iat=1115,1133, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 98 THR HB 107 HIS H 4.35 (#peak 536 #SUP 0.95 #QF 0.95)
&rst
ixpk= 536, nxpk= 0, iat= 996,1133, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 99 GLN HA 107 HIS H 4.53 (#peak 537 #SUP 0.84 #QF 0.84)
&rst
ixpk= 537, nxpk= 0, iat=1008,1133, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 107 HIS H 107 HIS HB2 3.92 (#peak 538 #SUP 0.95 #QF 0.95)
&rst
ixpk= 538, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 107 HIS H 107 HIS HB3 3.92 (#peak 539 #SUP 0.85 #QF 0.85)
&rst
ixpk= 539, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 98 THR QG2 107 HIS H 5.50 (#peak 541 #SUP 0.99 #QF 0.96)
&rst
ixpk= 541, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 100 LEU HG 107 HIS H 5.50 (#peak 541 #SUP 0.99 #QF 0.96)
&rst
ixpk= 541, nxpk= 0, iat=1030,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 THR QG2 107 HIS H 5.21 (#peak 542 #SUP 0.87 #QF 0.87)
&rst
ixpk= 542, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 266, 267, 268,
&end
#
# 100 LEU QD2 107 HIS H 4.72 (#peak 543 #SUP 0.96 #QF 0.96)
&rst
ixpk= 543, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1036,1037,1038,
&end
#
# 100 LEU QD1 107 HIS H 4.72 (#peak 544 #SUP 0.42 #QF 0.42)
&rst
ixpk= 544, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1032,1033,1034,
&end
#
# 51 THR QG2 108 MET H 4.06 (#peak 547 #SUP 0.89 #QF 0.89)
&rst
ixpk= 547, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 266, 267, 268,
&end
#
# 107 HIS HA 108 MET H 3.12 (#peak 552 #SUP 0.82 #QF 0.82)
&rst
ixpk= 552, nxpk= 0, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 96 ARG H 109 SER H 3.95 (#peak 554 #SUP 0.92 #QF 0.92)
&rst
ixpk= 554, nxpk= 0, iat= 952,1167, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 97 VAL HA 109 SER H 4.17 (#peak 558 #SUP 0.91 #QF 0.91)
&rst
ixpk= 558, nxpk= 0, iat= 978,1167, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 108 MET HA 109 SER H 3.01 (#peak 559 #SUP 0.85 #QF 0.85)
&rst
ixpk= 559, nxpk= 0, iat=1152,1167, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 50 ALA QB 110 VAL H 3.88 (#peak 563 #SUP 0.91 #QF 0.91)
&rst
ixpk= 563, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 254, 255, 256,
&end
#
# 110 VAL H 110 VAL QG2 4.11 (#peak 564 #SUP 0.95 #QF 0.95)
&rst
ixpk= 564, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1188,1189,1190,
&end
#
# 110 VAL H 110 VAL QG1 4.11 (#peak 565 #SUP 0.97 #QF 0.97)
&rst
ixpk= 565, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1184,1185,1186,
&end
#
# 110 VAL H 110 VAL HB 3.61 (#peak 566 #SUP 0.94 #QF 0.94)
&rst
ixpk= 566, nxpk= 0, iat=1178,1182, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 51 THR HA 110 VAL H 4.09 (#peak 569 #SUP 0.83 #QF 0.83)
&rst
ixpk= 569, nxpk= 0, iat= 262,1178, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 109 SER HA 110 VAL H 2.98 (#peak 570 #SUP 0.86 #QF 0.86)
&rst
ixpk= 570, nxpk= 0, iat=1169,1178, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 109 SER H 110 VAL H 4.62 (#peak 572 #SUP 0.60 #QF 0.60)
&rst
ixpk= 572, nxpk= 0, iat=1167,1178, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 111 VAL H 112 ARG H 4.64 (#peak 573 #SUP 0.93 #QF 0.93)
&rst
ixpk= 573, nxpk= 0, iat=1194,1210, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 95 PHE HA 111 VAL H 4.47 (#peak 574 #SUP 0.73 #QF 0.73)
&rst
ixpk= 574, nxpk= 0, iat= 934,1194, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 110 VAL HA 111 VAL H 3.04 (#peak 575 #SUP 0.78 #QF 0.78)
&rst
ixpk= 575, nxpk= 0, iat=1180,1194, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 94 ARG HA 111 VAL H 4.47 (#peak 577 #SUP 0.92 #QF 0.92)
&rst
ixpk= 577, nxpk= 0, iat= 910,1194, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 111 VAL H 111 VAL HB 3.52 (#peak 578 #SUP 0.88 #QF 0.88)
&rst
ixpk= 578, nxpk= 0, iat=1194,1198, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 110 VAL QG1 111 VAL H 4.37 (#peak 582 #SUP 0.92 #QF 0.92)
&rst
ixpk= 582, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1184,1185,1186,
&end
#
# 112 ARG H 112 ARG QB 3.71 (#peak 584 #SUP 0.99 #QF 0.99)
&rst
ixpk= 584, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1214,1215,
&end
#
# 111 VAL HB 112 ARG H 4.45 (#peak 585 #SUP 0.89 #QF 0.89)
&rst
ixpk= 585, nxpk= 0, iat=1198,1210, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 112 ARG H 113 ALA QB 4.60 (#peak 586 #SUP 0.96 #QF 0.96)
&rst
ixpk= 586, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1238,1239,1240,
&end
#
# 111 VAL HA 112 ARG H 2.97 (#peak 588 #SUP 0.83 #QF 0.83)
&rst
ixpk= 588, nxpk= 0, iat=1196,1210, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 49 ASN HA 112 ARG H 3.72 (#peak 589 #SUP 0.81 #QF 0.81)
&rst
ixpk= 589, nxpk= 0, iat= 238,1210, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 112 ARG H 113 ALA H 3.32 (#peak 592 #SUP 0.96 #QF 0.96)
&rst
ixpk= 592, nxpk= 0, iat=1210,1234, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 113 ALA H 114 ARG H 4.78 (#peak 593 #SUP 0.92 #QF 0.92)
&rst
ixpk= 593, nxpk= 0, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 49 ASN HA 113 ALA H 4.31 (#peak 594 #SUP 0.91 #QF 0.91)
&rst
ixpk= 594, nxpk= 0, iat= 238,1234, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 112 ARG HA 113 ALA H 2.98 (#peak 596 #SUP 0.87 #QF 0.87)
&rst
ixpk= 596, nxpk= 0, iat=1212,1234, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 113 ALA H 113 ALA QB 2.92 (#peak 597 #SUP 0.97 #QF 0.96)
&rst
ixpk= 597, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1238,1239,1240,
&end
#
# 50 ALA QB 113 ALA H 4.70 (#peak 598 #SUP 0.95 #QF 0.95)
&rst
ixpk= 598, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 254, 255, 256,
&end
#
# 112 ARG QB 113 ALA H 4.37 (#peak 600 #SUP 0.98 #QF 0.96)
&rst
ixpk= 600, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1214,1215,
&end
#
# 126 ILE HB 127 SER H 4.81 (#peak 600 #SUP 0.98 #QF 0.96)
&rst
ixpk= 600, nxpk= 0, iat=1421,1436, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 114 ARG H 117 ASP H 4.36 (#peak 601 #SUP 0.72 #QF 0.72)
&rst
ixpk= 601, nxpk= 0, iat=1244,1306, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 113 ALA HA 114 ARG H 2.99 (#peak 603 #SUP 0.87 #QF 0.87)
&rst
ixpk= 603, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 114 ARG H 117 ASP HB3 4.35 (#peak 604 #SUP 0.87 #QF 0.87)
&rst
ixpk= 604, nxpk= 0, iat=1244,1311, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 114 ARG H 117 ASP HB2 4.35 (#peak 606 #SUP 0.96 #QF 0.96)
&rst
ixpk= 606, nxpk= 0, iat=1244,1310, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 113 ALA QB 114 ARG H 3.53 (#peak 608 #SUP 0.99 #QF 0.99)
&rst
ixpk= 608, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1238,1239,1240,
&end
#
# 114 ARG H 144 VAL QG2 4.82 (#peak 609 #SUP 0.98 #QF 0.98)
&rst
ixpk= 609, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1727,1728,1729,
&end
#
# 114 ARG H 144 VAL QG1 4.56 (#peak 611 #SUP 0.89 #QF 0.89)
&rst
ixpk= 611, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1723,1724,1725,
&end
#
# 115 ARG H 116 ASN H 4.60 (#peak 612 #SUP 0.94 #QF 0.60)
&rst
ixpk= 612, nxpk= 0, iat=1268,1292, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 114 ARG HA 115 ARG H 3.07 (#peak 613 #SUP 0.87 #QF 0.87)
&rst
ixpk= 613, nxpk= 0, iat=1246,1268, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 115 ARG H 115 ARG QD 4.49 (#peak 615 #SUP 0.99 #QF 0.99)
&rst
ixpk= 615, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1278,1279,
&end
#
# 46 GLU QG 115 ARG H 4.02 (#peak 616 #SUP 0.91 #QF 0.91)
&rst
ixpk= 616, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 209, 210,
&end
#
# 115 ARG H 144 VAL QG1 4.32 (#peak 619 #SUP 0.97 #QF 0.97)
&rst
ixpk= 619, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1723,1724,1725,
&end
#
# 115 ARG HA 117 ASP H 4.22 (#peak 624 #SUP 0.89 #QF 0.89)
&rst
ixpk= 624, nxpk= 0, iat=1270,1306, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 116 ASN QB 117 ASP H 3.73 (#peak 625 #SUP 0.92 #QF 0.44)
&rst
ixpk= 625, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1296,1297,
&end
#
# 117 ASP H 117 ASP HB3 3.87 (#peak 625 #SUP 0.92 #QF 0.44)
&rst
ixpk= 625, nxpk= 0, iat=1306,1311, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 117 ASP H 117 ASP HB2 3.87 (#peak 626 #SUP 0.95 #QF 0.95)
&rst
ixpk= 626, nxpk= 0, iat=1306,1310, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 113 ALA QB 117 ASP H 4.73 (#peak 627 #SUP 0.86 #QF 0.86)
&rst
ixpk= 627, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1238,1239,1240,
&end
#
# 117 ASP H 144 VAL QG2 4.11 (#peak 628 #SUP 0.97 #QF 0.97)
&rst
ixpk= 628, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1727,1728,1729,
&end
#
# 117 ASP H 144 VAL HB 5.50 (#peak 630 #SUP 0.96 #QF 0.38)
&rst
ixpk= 630, nxpk= 0, iat=1306,1721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 SER H 144 VAL QG2 3.75 (#peak 631 #SUP 0.98 #QF 0.32)
&rst
ixpk= 631, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1727,1728,1729,
&end
#
# 118 SER H 144 VAL HB 4.17 (#peak 632 #SUP 0.92 #QF 0.92)
&rst
ixpk= 632, nxpk= 0, iat=1318,1721, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 117 ASP HB3 118 SER H 4.81 (#peak 633 #SUP 0.95 #QF 0.95)
&rst
ixpk= 633, nxpk= 0, iat=1311,1318, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 117 ASP HB2 118 SER H 4.81 (#peak 634 #SUP 0.98 #QF 0.98)
&rst
ixpk= 634, nxpk= 0, iat=1310,1318, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 118 SER H 118 SER HB2 3.74 (#peak 636 #SUP 0.97 #QF 0.97)
&rst
ixpk= 636, nxpk= 0, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 118 SER H 118 SER HB3 3.74 (#peak 637 #SUP 0.85 #QF 0.85)
&rst
ixpk= 637, nxpk= 0, iat=1318,1323, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 115 ARG HA 118 SER H 4.34 (#peak 638 #SUP 0.94 #QF 0.94)
&rst
ixpk= 638, nxpk= 0, iat=1270,1318, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 118 SER H 118 SER HG 3.83 (#peak 639 #SUP 0.95 #QF 0.95)
&rst
ixpk= 639, nxpk= 0, iat=1318,1325, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 117 ASP H 118 SER H 3.15 (#peak 640 #SUP 0.97 #QF 0.97)
&rst
ixpk= 640, nxpk= 0, iat=1306,1318, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 118 SER H 144 VAL H 4.46 (#peak 641 #SUP 0.96 #QF 0.96)
&rst
ixpk= 641, nxpk= 0, iat=1318,1717, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 119 GLY H 120 THR H 4.45 (#peak 644 #SUP 0.96 #QF 0.96)
&rst
ixpk= 644, nxpk= 0, iat=1329,1336, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 119 GLY H 121 TYR QE 3.75 (#peak 645 #SUP 0.93 #QF 0.93)
&rst
ixpk= 645, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1360,1365,
&end
#
# 119 GLY H 141 GLU HA 4.49 (#peak 646 #SUP 0.74 #QF 0.74)
&rst
ixpk= 646, nxpk= 0, iat=1329,1661, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 119 GLY H 143 ARG HA 5.01 (#peak 647 #SUP 0.96 #QF 0.96)
&rst
ixpk= 647, nxpk= 0, iat=1329,1695, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 118 SER HA 119 GLY H 2.90 (#peak 648 #SUP 0.85 #QF 0.85)
&rst
ixpk= 648, nxpk= 0, iat=1320,1329, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 119 GLY H 142 LEU HG 4.42 (#peak 654 #SUP 0.99 #QF 0.99)
&rst
ixpk= 654, nxpk= 0, iat=1329,1681, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 119 GLY H 142 LEU QD2 4.10 (#peak 655 #SUP 0.99 #QF 0.99)
&rst
ixpk= 655, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1687,1688,1689,
&end
#
# 120 THR H 120 THR QG2 3.92 (#peak 656 #SUP 0.98 #QF 0.98)
&rst
ixpk= 656, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1342,1343,1344,
&end
#
# 120 THR H 120 THR HB 3.27 (#peak 658 #SUP 0.83 #QF 0.83)
&rst
ixpk= 658, nxpk= 0, iat=1336,1340, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 119 GLY HA2 120 THR H 3.14 (#peak 659 #SUP 0.91 #QF 0.91)
&rst
ixpk= 659, nxpk= 0, iat=1331,1336, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 119 GLY HA3 120 THR H 3.14 (#peak 660 #SUP 0.92 #QF 0.92)
&rst
ixpk= 660, nxpk= 0, iat=1332,1336, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 121 TYR H 121 TYR QD 3.71 (#peak 662 #SUP 0.94 #QF 0.94)
&rst
ixpk= 662, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1358,1367,
&end
#
# 120 THR HA 121 TYR H 2.99 (#peak 663 #SUP 0.94 #QF 0.79)
&rst
ixpk= 663, nxpk= 0, iat=1338,1350, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 120 THR QG2 121 TYR H 3.55 (#peak 666 #SUP 0.92 #QF 0.92)
&rst
ixpk= 666, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1342,1343,1344,
&end
#
# 121 TYR H 139 ARG QB 4.58 (#peak 667 #SUP 0.81 #QF 0.81)
&rst
ixpk= 667, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1629,1630,
&end
#
# 122 LEU H 122 LEU QQD 3.82 (#peak 668 #SUP 0.98 #QF 0.98)
&rst
ixpk= 668, nxpk= 0, iat=1371,1377, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 122 LEU H 122 LEU HG 4.18 (#peak 669 #SUP 0.88 #QF 0.88)
&rst
ixpk= 669, nxpk= 0, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 121 TYR HB3 122 LEU H 4.41 (#peak 670 #SUP 0.97 #QF 0.97)
&rst
ixpk= 670, nxpk= 0, iat=1355,1371, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 121 TYR HB2 122 LEU H 4.41 (#peak 671 #SUP 0.97 #QF 0.97)
&rst
ixpk= 671, nxpk= 0, iat=1354,1371, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 121 TYR HA 122 LEU H 3.45 (#peak 673 #SUP 0.98 #QF 0.98)
&rst
ixpk= 673, nxpk= 0, iat=1352,1371, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 69 ARG HA 122 LEU H 4.60 (#peak 674 #SUP 0.87 #QF 0.87)
&rst
ixpk= 674, nxpk= 0, iat= 541,1371, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 121 TYR QD 122 LEU H 4.36 (#peak 676 #SUP 0.99 #QF 0.99)
&rst
ixpk= 676, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1358,1367,
&end
#
# 68 TYR QD 122 LEU H 4.71 (#peak 677 #SUP 0.59 #QF 0.59)
&rst
ixpk= 677, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 526, 535,
&end
#
# 123 CYS H 139 ARG HA 5.20 (#peak 679 #SUP 0.75 #QF 0.75)
&rst
ixpk= 679, nxpk= 0, iat=1390,1627, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 122 LEU HB3 123 CYS H 4.01 (#peak 681 #SUP 0.97 #QF 0.97)
&rst
ixpk= 681, nxpk= 0, iat=1376,1390, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 122 LEU HB2 123 CYS H 4.01 (#peak 682 #SUP 0.80 #QF 0.80)
&rst
ixpk= 682, nxpk= 0, iat=1375,1390, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 122 LEU QQD 123 CYS H 4.22 (#peak 683 #SUP 1.00)
&rst
ixpk= 683, nxpk= 0, iat=1377,1390, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 68 TYR QE 124 GLY H 4.43 (#peak 688 #SUP 0.75 #QF 0.49)
&rst
ixpk= 688, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 528, 533,
&end
#
# 125 ALA H 125 ALA QB 3.67 (#peak 694 #SUP 0.99 #QF 0.99)
&rst
ixpk= 694, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1411,1412,1413,
&end
#
# 125 ALA QB 126 ILE H 3.79 (#peak 695 #SUP 0.98 #QF 0.98)
&rst
ixpk= 695, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1411,1412,1413,
&end
#
# 126 ILE H 126 ILE QG2 3.70 (#peak 696 #SUP 0.90 #QF 0.90)
&rst
ixpk= 696, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1423,1424,1425,
&end
#
# 126 ILE H 126 ILE HB 4.07 (#peak 697 #SUP 1.00)
&rst
ixpk= 697, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 65 LEU HA 126 ILE H 4.85 (#peak 700 #SUP 0.91 #QF 0.91)
&rst
ixpk= 700, nxpk= 0, iat= 463,1417, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 125 ALA HA 126 ILE H 3.16 (#peak 701 #SUP 0.76 #QF 0.76)
&rst
ixpk= 701, nxpk= 0, iat=1409,1417, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 127 SER H 127 SER HB2 3.72 (#peak 702 #SUP 0.95 #QF 0.95)
&rst
ixpk= 702, nxpk= 0, iat=1436,1440, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 127 SER H 127 SER HB3 3.72 (#peak 703 #SUP 0.96 #QF 0.96)
&rst
ixpk= 703, nxpk= 0, iat=1436,1441, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 126 ILE HA 127 SER H 3.04 (#peak 704 #SUP 0.85 #QF 0.85)
&rst
ixpk= 704, nxpk= 0, iat=1419,1436, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 127 SER H 132 ALA QB 3.98 (#peak 706 #SUP 0.96 #QF 0.96)
&rst
ixpk= 706, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1516,1517,1518,
&end
#
# 126 ILE QG2 127 SER H 3.97 (#peak 707 #SUP 0.97 #QF 0.97)
&rst
ixpk= 707, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1423,1424,1425,
&end
#
# 128 LEU H 128 LEU QD1 4.96 (#peak 708 #SUP 0.98 #QF 0.94)
&rst
ixpk= 708, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1456,1457,1458,
&end
#
# 128 LEU H 128 LEU QD2 4.96 (#peak 708 #SUP 0.98 #QF 0.94)
&rst
ixpk= 708, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1460,1461,1462,
&end
#
# 127 SER HA 128 LEU H 3.23 (#peak 709 #SUP 0.94 #QF 0.94)
&rst
ixpk= 709, nxpk= 0, iat=1438,1447, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 127 SER HB2 128 LEU H 4.18 (#peak 711 #SUP 0.96 #QF 0.96)
&rst
ixpk= 711, nxpk= 0, iat=1440,1447, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 127 SER HB3 128 LEU H 4.18 (#peak 712 #SUP 0.95 #QF 0.95)
&rst
ixpk= 712, nxpk= 0, iat=1441,1447, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 63 PHE HA 128 LEU H 3.96 (#peak 713 #SUP 0.58 #QF 0.58)
&rst
ixpk= 713, nxpk= 0, iat= 427,1447, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 128 LEU H 129 ALA H 3.55 (#peak 715 #SUP 0.93 #QF 0.93)
&rst
ixpk= 715, nxpk= 0, iat=1447,1466, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 127 SER HA 129 ALA H 4.25 (#peak 716 #SUP 0.55 #QF 0.55)
&rst
ixpk= 716, nxpk= 0, iat=1438,1466, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 128 LEU HA 129 ALA H 3.52 (#peak 718 #SUP 0.98 #QF 0.98)
&rst
ixpk= 718, nxpk= 0, iat=1449,1466, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 127 SER HB2 129 ALA H 4.41 (#peak 719 #SUP 0.84 #QF 0.84)
&rst
ixpk= 719, nxpk= 0, iat=1440,1466, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 127 SER HB3 129 ALA H 4.41 (#peak 720 #SUP 0.90 #QF 0.90)
&rst
ixpk= 720, nxpk= 0, iat=1441,1466, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 129 ALA H 129 ALA QB 3.03 (#peak 721 #SUP 0.96 #QF 0.96)
&rst
ixpk= 721, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1470,1471,1472,
&end
#
# 129 ALA QB 131 LYS H 4.02 (#peak 722 #SUP 0.93 #QF 0.79)
&rst
ixpk= 722, nxpk= 0, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1470,1471,1472,
&end
#
# 131 LYS H 131 LYS QG 4.55 (#peak 722 #SUP 0.93 #QF 0.79)
&rst
ixpk= 722, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1497,1498,
&end
#
# 130 PRO HA 131 LYS H 3.54 (#peak 726 #SUP 0.98 #QF 0.98)
&rst
ixpk= 726, nxpk= 0, iat=1486,1490, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 131 LYS H 132 ALA H 3.97 (#peak 728 #SUP 0.92 #QF 0.92)
&rst
ixpk= 728, nxpk= 0, iat=1490,1512, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 130 PRO HA 132 ALA H 4.43 (#peak 730 #SUP 0.76 #QF 0.76)
&rst
ixpk= 730, nxpk= 0, iat=1486,1512, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 132 ALA H 132 ALA QB 2.98 (#peak 733 #SUP 0.97 #QF 0.97)
&rst
ixpk= 733, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1516,1517,1518,
&end
#
# 129 ALA QB 132 ALA H 4.18 (#peak 734 #SUP 0.84 #QF 0.80)
&rst
ixpk= 734, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1470,1471,1472,
&end
#
# 132 ALA QB 133 GLN H 3.44 (#peak 735 #SUP 0.98 #QF 0.98)
&rst
ixpk= 735, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1516,1517,1518,
&end
#
# 126 ILE HG12 133 GLN H 4.64 (#peak 736 #SUP 0.70 #QF 0.70)
&rst
ixpk= 736, nxpk= 0, iat=1427,1522, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 133 GLN H 133 GLN HB3 3.94 (#peak 737 #SUP 0.99 #QF 0.99)
&rst
ixpk= 737, nxpk= 0, iat=1522,1527, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 133 GLN H 133 GLN HB2 3.94 (#peak 738 #SUP 0.99 #QF 0.99)
&rst
ixpk= 738, nxpk= 0, iat=1522,1526, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 133 GLN H 133 GLN QG 4.27 (#peak 739 #SUP 0.99 #QF 0.99)
&rst
ixpk= 739, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1529,1530,
&end
#
# 132 ALA HA 133 GLN H 2.77 (#peak 740 #SUP 0.74 #QF 0.74)
&rst
ixpk= 740, nxpk= 0, iat=1514,1522, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 132 ALA H 133 GLN H 4.73 (#peak 742 #SUP 0.93 #QF 0.93)
&rst
ixpk= 742, nxpk= 0, iat=1512,1522, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 133 GLN H 134 ILE H 4.36 (#peak 743 #SUP 0.84 #QF 0.84)
&rst
ixpk= 743, nxpk= 0, iat=1522,1539, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 133 GLN HA 134 ILE H 2.98 (#peak 745 #SUP 0.77 #QF 0.77)
&rst
ixpk= 745, nxpk= 0, iat=1524,1539, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 134 ILE H 134 ILE HB 3.14 (#peak 747 #SUP 0.87 #QF 0.87)
&rst
ixpk= 747, nxpk= 0, iat=1539,1543, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 134 ILE H 134 ILE HG13 3.94 (#peak 748 #SUP 0.97 #QF 0.97)
&rst
ixpk= 748, nxpk= 0, iat=1539,1550, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 126 ILE QD1 134 ILE H 4.13 (#peak 749 #SUP 0.97 #QF 0.26)
&rst
ixpk= 749, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1430,1431,1432,
&end
#
# 134 ILE H 134 ILE QG2 4.40 (#peak 749 #SUP 0.97 #QF 0.26)
&rst
ixpk= 749, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1545,1546,1547,
&end
#
# 134 ILE H 134 ILE HG12 3.94 (#peak 750 #SUP 0.84 #QF 0.84)
&rst
ixpk= 750, nxpk= 0, iat=1539,1549, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 125 ALA QB 135 LYS H 4.77 (#peak 751 #SUP 0.67 #QF 0.67)
&rst
ixpk= 751, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1411,1412,1413,
&end
#
# 134 ILE QG2 135 LYS H 4.05 (#peak 752 #SUP 0.96 #QF 0.96)
&rst
ixpk= 752, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1545,1546,1547,
&end
#
# 135 LYS H 135 LYS HB3 3.99 (#peak 754 #SUP 0.97 #QF 0.96)
&rst
ixpk= 754, nxpk= 0, iat=1558,1563, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 135 LYS H 135 LYS HB2 3.99 (#peak 755 #SUP 0.93 #QF 0.93)
&rst
ixpk= 755, nxpk= 0, iat=1558,1562, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 134 ILE HA 135 LYS H 3.20 (#peak 756 #SUP 0.81 #QF 0.81)
&rst
ixpk= 756, nxpk= 0, iat=1541,1558, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 125 ALA H 135 LYS H 4.06 (#peak 758 #SUP 0.95 #QF 0.95)
&rst
ixpk= 758, nxpk= 0, iat=1407,1558, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 122 LEU QQD 137 SER H 4.14 (#peak 759 #SUP 0.85 #QF 0.85)
&rst
ixpk= 759, nxpk= 0, iat=1377,1595, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 136 GLU HB2 137 SER H 4.29 (#peak 760 #SUP 0.99 #QF 0.99)
&rst
ixpk= 760, nxpk= 0, iat=1584,1595, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 136 GLU HB3 137 SER H 4.29 (#peak 761 #SUP 1.00)
&rst
ixpk= 761, nxpk= 0, iat=1585,1595, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 137 SER H 137 SER HB2 4.19 (#peak 763 #SUP 0.96 #QF 0.96)
&rst
ixpk= 763, nxpk= 0, iat=1595,1599, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 136 GLU HA 137 SER H 3.35 (#peak 765 #SUP 0.95 #QF 0.95)
&rst
ixpk= 765, nxpk= 0, iat=1582,1595, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 137 SER H 137 SER HB3 4.19 (#peak 766 #SUP 1.00)
&rst
ixpk= 766, nxpk= 0, iat=1595,1600, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 124 GLY HA2 137 SER H 5.09 (#peak 767 #SUP 0.72 #QF 0.72)
&rst
ixpk= 767, nxpk= 0, iat=1402,1595, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 123 CYS H 137 SER H 4.90 (#peak 768 #SUP 0.93 #QF 0.46)
&rst
ixpk= 768, nxpk= 0, iat=1390,1595, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 137 SER H 138 LEU H 5.35 (#peak 768 #SUP 0.93 #QF 0.46)
&rst
ixpk= 768, nxpk= 0, iat=1595,1606, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 137 SER HB3 138 LEU H 4.10 (#peak 770 #SUP 0.94 #QF 0.94)
&rst
ixpk= 770, nxpk= 0, iat=1600,1606, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 137 SER HB2 138 LEU H 4.10 (#peak 771 #SUP 0.97 #QF 0.97)
&rst
ixpk= 771, nxpk= 0, iat=1599,1606, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 137 SER HA 138 LEU H 3.32 (#peak 772 #SUP 0.73 #QF 0.73)
&rst
ixpk= 772, nxpk= 0, iat=1597,1606, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 138 LEU H 138 LEU HG 3.87 (#peak 774 #SUP 0.75 #QF 0.75)
&rst
ixpk= 774, nxpk= 0, iat=1606,1613, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 120 THR QG2 139 ARG H 5.11 (#peak 776 #SUP 0.98 #QF 0.98)
&rst
ixpk= 776, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1342,1343,1344,
&end
#
# 139 ARG H 139 ARG HD2 4.85 (#peak 778 #SUP 0.54 #QF 0.22)
&rst
ixpk= 778, nxpk= 0, iat=1625,1635, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 139 ARG H 139 ARG HD3 4.85 (#peak 778 #SUP 0.54 #QF 0.22)
&rst
ixpk= 778, nxpk= 0, iat=1625,1636, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 138 LEU HA 139 ARG H 2.94 (#peak 779 #SUP 0.71 #QF 0.71)
&rst
ixpk= 779, nxpk= 0, iat=1608,1625, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 139 ARG HA 140 ALA H 3.14 (#peak 781 #SUP 0.88 #QF 0.88)
&rst
ixpk= 781, nxpk= 0, iat=1627,1649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 139 ARG QB 140 ALA H 3.50 (#peak 782 #SUP 0.94 #QF 0.94)
&rst
ixpk= 782, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1629,1630,
&end
#
# 140 ALA H 140 ALA QB 3.54 (#peak 783 #SUP 0.98 #QF 0.98)
&rst
ixpk= 783, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1653,1654,1655,
&end
#
# 120 THR QG2 140 ALA H 3.97 (#peak 784 #SUP 0.82 #QF 0.82)
&rst
ixpk= 784, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1342,1343,1344,
&end
#
# 140 ALA QB 141 GLU H 3.30 (#peak 786 #SUP 0.95 #QF 0.95)
&rst
ixpk= 786, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1653,1654,1655,
&end
#
# 141 GLU H 141 GLU QB 3.56 (#peak 787 #SUP 0.96 #QF 0.92)
&rst
ixpk= 787, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1663,1664,
&end
#
# 141 GLU H 141 GLU HG2 4.34 (#peak 787 #SUP 0.96 #QF 0.92)
&rst
ixpk= 787, nxpk= 0, iat=1659,1666, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 141 GLU H 141 GLU HG3 4.34 (#peak 788 #SUP 0.97 #QF 0.97)
&rst
ixpk= 788, nxpk= 0, iat=1659,1667, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 40 ALA HA 141 GLU H 4.61 (#peak 789 #SUP 0.94 #QF 0.94)
&rst
ixpk= 789, nxpk= 0, iat= 110,1659, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 41 LEU HA 141 GLU H 3.54 (#peak 791 #SUP 0.76 #QF 0.76)
&rst
ixpk= 791, nxpk= 0, iat= 120,1659, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 140 ALA HA 141 GLU H 2.86 (#peak 792 #SUP 0.80 #QF 0.80)
&rst
ixpk= 792, nxpk= 0, iat=1651,1659, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 42 LEU H 141 GLU H 4.43 (#peak 793 #SUP 0.96 #QF 0.96)
&rst
ixpk= 793, nxpk= 0, iat= 137,1659, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 119 GLY H 142 LEU H 3.67 (#peak 794 #SUP 0.96 #QF 0.96)
&rst
ixpk= 794, nxpk= 0, iat=1329,1674, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 121 TYR QD 142 LEU H 4.03 (#peak 795 #SUP 0.91 #QF 0.91)
&rst
ixpk= 795, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1358,1367,
&end
#
# 52 PHE QE 142 LEU H 5.04 (#peak 796 #SUP 0.98 #QF 0.98)
&rst
ixpk= 796, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 284, 288,
&end
#
# 121 TYR QE 142 LEU H 4.43 (#peak 797 #SUP 0.96 #QF 0.96)
&rst
ixpk= 797, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1360,1365,
&end
#
# 141 GLU HA 142 LEU H 2.94 (#peak 799 #SUP 0.82 #QF 0.82)
&rst
ixpk= 799, nxpk= 0, iat=1661,1674, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 142 LEU H 142 LEU HB2 3.92 (#peak 800 #SUP 0.93 #QF 0.93)
&rst
ixpk= 800, nxpk= 0, iat=1674,1678, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 141 GLU QB 142 LEU H 3.68 (#peak 801 #SUP 0.82 #QF 0.82)
&rst
ixpk= 801, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1663,1664,
&end
#
# 142 LEU H 142 LEU HB3 3.92 (#peak 802 #SUP 0.97 #QF 0.97)
&rst
ixpk= 802, nxpk= 0, iat=1674,1679, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 142 LEU H 142 LEU QD1 4.65 (#peak 803 #SUP 1.00 #QF 0.87)
&rst
ixpk= 803, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1683,1684,1685,
&end
#
# 142 LEU H 142 LEU QD2 4.98 (#peak 803 #SUP 1.00 #QF 0.87)
&rst
ixpk= 803, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1687,1688,1689,
&end
#
# 143 ARG H 143 ARG HB3 3.76 (#peak 804 #SUP 0.99 #QF 0.99)
&rst
ixpk= 804, nxpk= 0, iat=1693,1698, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 143 ARG H 143 ARG HB2 3.76 (#peak 805 #SUP 0.98 #QF 0.98)
&rst
ixpk= 805, nxpk= 0, iat=1693,1697, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 42 LEU HB3 143 ARG H 4.73 (#peak 806 #SUP 1.00 #QF 0.72)
&rst
ixpk= 806, nxpk= 0, iat= 142,1693, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 143 ARG H 143 ARG QG 5.31 (#peak 806 #SUP 1.00 #QF 0.72)
&rst
ixpk= 806, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1700,1701,
&end
#
# 142 LEU HG 143 ARG H 4.04 (#peak 807 #SUP 0.98 #QF 0.98)
&rst
ixpk= 807, nxpk= 0, iat=1681,1693, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 142 LEU QD1 143 ARG H 3.19 (#peak 808 #SUP 0.82 #QF 0.82)
&rst
ixpk= 808, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1683,1684,1685,
&end
#
# 43 VAL QG1 143 ARG H 5.50 (#peak 809 #SUP 0.98 #QF 0.96)
&rst
ixpk= 809, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 162, 163, 164,
&end
#
# 43 VAL QG2 143 ARG H 5.50 (#peak 809 #SUP 0.98 #QF 0.96)
&rst
ixpk= 809, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 166, 167, 168,
&end
#
# 43 VAL HA 143 ARG H 3.62 (#peak 811 #SUP 0.81 #QF 0.81)
&rst
ixpk= 811, nxpk= 0, iat= 158,1693, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 142 LEU HA 143 ARG H 2.91 (#peak 812 #SUP 0.88 #QF 0.88)
&rst
ixpk= 812, nxpk= 0, iat=1676,1693, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 144 VAL H 145 THR H 4.36 (#peak 813 #SUP 0.98 #QF 0.98)
&rst
ixpk= 813, nxpk= 0, iat=1717,1733, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 118 SER HG 144 VAL H 4.13 (#peak 814 #SUP 0.96 #QF 0.96)
&rst
ixpk= 814, nxpk= 0, iat=1325,1717, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 118 SER HA 144 VAL H 3.88 (#peak 815 #SUP 0.99 #QF 0.99)
&rst
ixpk= 815, nxpk= 0, iat=1320,1717, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 143 ARG HA 144 VAL H 2.88 (#peak 816 #SUP 0.82 #QF 0.82)
&rst
ixpk= 816, nxpk= 0, iat=1695,1717, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 118 SER HB2 144 VAL H 4.29 (#peak 818 #SUP 0.96 #QF 0.96)
&rst
ixpk= 818, nxpk= 0, iat=1322,1717, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 118 SER HB3 144 VAL H 4.29 (#peak 819 #SUP 0.84 #QF 0.84)
&rst
ixpk= 819, nxpk= 0, iat=1323,1717, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 115 ARG HA 144 VAL H 4.25 (#peak 820 #SUP 0.82 #QF 0.82)
&rst
ixpk= 820, nxpk= 0, iat=1270,1717, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 144 VAL H 144 VAL HB 3.34 (#peak 821 #SUP 0.94 #QF 0.94)
&rst
ixpk= 821, nxpk= 0, iat=1717,1721, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 143 ARG QG 144 VAL H 4.16 (#peak 823 #SUP 0.94 #QF 0.94)
&rst
ixpk= 823, nxpk= 0, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1700,1701,
&end
#
# 142 LEU HG 144 VAL H 4.14 (#peak 824 #SUP 0.88 #QF 0.88)
&rst
ixpk= 824, nxpk= 0, iat=1681,1717, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 144 VAL H 144 VAL QG1 4.05 (#peak 825 #SUP 0.99 #QF 0.99)
&rst
ixpk= 825, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1723,1724,1725,
&end
#
# 144 VAL H 144 VAL QG2 3.27 (#peak 826 #SUP 0.96 #QF 0.96)
&rst
ixpk= 826, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1727,1728,1729,
&end
#
# 44 VAL QG2 144 VAL H 4.33 (#peak 827 #SUP 0.98 #QF 0.98)
&rst
ixpk= 827, nxpk= 0, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 182, 183, 184,
&end
#
# 144 VAL QG1 145 THR H 3.43 (#peak 828 #SUP 0.97 #QF 0.97)
&rst
ixpk= 828, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1723,1724,1725,
&end
#
# 44 VAL QG2 145 THR H 4.11 (#peak 829 #SUP 0.94 #QF 0.94)
&rst
ixpk= 829, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 182, 183, 184,
&end
#
# 144 VAL QG2 145 THR H 4.34 (#peak 830 #SUP 0.99 #QF 0.99)
&rst
ixpk= 830, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1727,1728,1729,
&end
#
# 145 THR H 145 THR QG2 3.40 (#peak 832 #SUP 0.97 #QF 0.97)
&rst
ixpk= 832, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1739,1740,1741,
&end
#
# 45 THR QG2 145 THR H 4.52 (#peak 833 #SUP 0.69 #QF 0.69)
&rst
ixpk= 833, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 194, 195, 196,
&end
#
# 145 THR H 145 THR HB 3.97 (#peak 834 #SUP 0.99 #QF 0.99)
&rst
ixpk= 834, nxpk= 0, iat=1733,1737, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 45 THR HA 145 THR H 3.38 (#peak 835 #SUP 1.00 #QF 0.67)
&rst
ixpk= 835, nxpk= 0, iat= 190,1733, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 144 VAL HA 145 THR H 2.77 (#peak 836 #SUP 0.91 #QF 0.91)
&rst
ixpk= 836, nxpk= 0, iat=1719,1733, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 145 THR HB 146 GLU H 3.00 (#peak 839 #SUP 0.81 #QF 0.81)
&rst
ixpk= 839, nxpk= 0, iat=1737,1747, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 145 THR HA 146 GLU H 2.68 (#peak 840 #SUP 0.79 #QF 0.79)
&rst
ixpk= 840, nxpk= 0, iat=1735,1747, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 146 GLU H 146 GLU QG 3.67 (#peak 841 #SUP 0.96 #QF 0.96)
&rst
ixpk= 841, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1754,1755,
&end
#
# 146 GLU H 146 GLU QB 2.85 (#peak 842 #SUP 0.86 #QF 0.86)
&rst
ixpk= 842, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1751,1752,
&end
#
# 145 THR QG2 146 GLU H 4.16 (#peak 843 #SUP 0.98 #QF 0.98)
&rst
ixpk= 843, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1739,1740,1741,
&end
#
# 145 THR H 146 GLU H 5.15 (#peak 844 #SUP 0.95 #QF 0.81)
&rst
ixpk= 844, nxpk= 0, iat=1733,1747, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 146 GLU H 147 ARG H 4.66 (#peak 845 #SUP 1.00)
&rst
ixpk= 845, nxpk= 0, iat=1747,1762, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 46 GLU H 147 ARG H 4.82 (#peak 846 #SUP 1.00 #QF 0.90)
&rst
ixpk= 846, nxpk= 0, iat= 202,1762, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 146 GLU HA 147 ARG H 2.67 (#peak 847 #SUP 0.80 #QF 0.80)
&rst
ixpk= 847, nxpk= 0, iat=1749,1762, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 115 ARG QD 147 ARG H 5.50 (#peak 848 #SUP 0.97 #QF 0.75)
&rst
ixpk= 848, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1278,1279,
&end
#
# 146 GLU QG 147 ARG H 3.76 (#peak 850 #SUP 0.98 #QF 0.98)
&rst
ixpk= 850, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1754,1755,
&end
#
# 147 ARG H 147 ARG QB 3.13 (#peak 851 #SUP 0.97 #QF 0.97)
&rst
ixpk= 851, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1766,1767,
&end
#
# 146 GLU QB 147 ARG H 3.25 (#peak 852 #SUP 0.95 #QF 0.95)
&rst
ixpk= 852, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1751,1752,
&end
#
# 147 ARG H 147 ARG QG 4.07 (#peak 853 #SUP 0.98 #QF 0.98)
&rst
ixpk= 853, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1769,1770,
&end
#
# 45 THR QG2 147 ARG H 4.27 (#peak 854 #SUP 0.94 #QF 0.94)
&rst
ixpk= 854, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 194, 195, 196,
&end
#
# 110 VAL QG2 111 VAL H 4.37 (#peak 855 #SUP 0.56 #QF 0.56)
&rst
ixpk= 855, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1188,1189,1190,
&end
#
# 45 THR QG2 148 ARG H 3.93 (#peak 856 #SUP 0.95 #QF 0.95)
&rst
ixpk= 856, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 194, 195, 196,
&end
#
# 147 ARG QG 148 ARG H 3.66 (#peak 857 #SUP 0.82 #QF 0.61)
&rst
ixpk= 857, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1769,1770,
&end
#
# 148 ARG H 148 ARG QG 4.00 (#peak 857 #SUP 0.82 #QF 0.61)
&rst
ixpk= 857, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1793,1794,
&end
#
# 147 ARG QB 148 ARG H 4.22 (#peak 858 #SUP 0.99 #QF 0.70)
&rst
ixpk= 858, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1766,1767,
&end
#
# 147 ARG HA 148 ARG H 2.69 (#peak 861 #SUP 0.73 #QF 0.73)
&rst
ixpk= 861, nxpk= 0, iat=1764,1786, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 148 ARG HA 149 ALA H 2.76 (#peak 862 #SUP 0.76 #QF 0.76)
&rst
ixpk= 862, nxpk= 0, iat=1788,1810, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 149 ALA H 149 ALA QB 3.24 (#peak 863 #SUP 0.99 #QF 0.99)
&rst
ixpk= 863, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1814,1815,1816,
&end
#
# 148 ARG HB2 149 ALA H 4.18 (#peak 864 #SUP 0.95 #QF 0.95)
&rst
ixpk= 864, nxpk= 0, iat=1790,1810, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 148 ARG HB3 149 ALA H 4.18 (#peak 865 #SUP 0.99 #QF 0.99)
&rst
ixpk= 865, nxpk= 0, iat=1791,1810, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 148 ARG QG 149 ALA H 4.25 (#peak 866 #SUP 0.93 #QF 0.93)
&rst
ixpk= 866, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1793,1794,
&end
#
# 149 ALA QB 150 GLU H 4.02 (#peak 868 #SUP 0.99 #QF 0.99)
&rst
ixpk= 868, nxpk= 0, iat= -1,1820, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1814,1815,1816,
&end
#
# 149 ALA HA 150 GLU H 3.10 (#peak 871 #SUP 0.65 #QF 0.65)
&rst
ixpk= 871, nxpk= 0, iat=1812,1820, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 97 VAL H 97 VAL HB 3.79 (#peak 872 #SUP 0.98 #QF 0.98)
&rst
ixpk= 872, nxpk= 0, iat= 976, 980, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 97 VAL H 97 VAL QG1 4.04 (#peak 873 #SUP 0.94 #QF 0.94)
&rst
ixpk= 873, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 982, 983, 984,
&end
#
# 96 ARG HB3 97 VAL H 4.62 (#peak 874 #SUP 0.92 #QF 0.92)
&rst
ixpk= 874, nxpk= 0, iat= 957, 976, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 96 ARG HB2 97 VAL H 4.62 (#peak 875 #SUP 0.89 #QF 0.89)
&rst
ixpk= 875, nxpk= 0, iat= 956, 976, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 ALA QB 97 VAL H 5.50 (#peak 876 #SUP 0.99 #QF 0.79)
&rst
ixpk= 876, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 718, 719, 720,
&end
#
# 96 ARG HA 97 VAL H 2.83 (#peak 877 #SUP 0.81 #QF 0.81)
&rst
ixpk= 877, nxpk= 0, iat= 954, 976, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 79 LEU H 79 LEU QD2 4.72 (#peak 880 #SUP 0.99 #QF 0.99)
&rst
ixpk= 880, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 708, 709, 710,
&end
#
# 89 PRO HA 90 GLY H 3.22 (#peak 881 #SUP 0.87 #QF 0.87)
&rst
ixpk= 881, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 109 SER H 109 SER HB3 3.89 (#peak 917 #SUP 0.82 #QF 0.52)
&rst
ixpk= 917, nxpk= 0, iat=1167,1172, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 109 SER H 109 SER HB2 3.89 (#peak 918 #SUP 0.85 #QF 0.85)
&rst
ixpk= 918, nxpk= 0, iat=1167,1171, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 95 PHE H 95 PHE HB2 3.88 (#peak 919 #SUP 0.91 #QF 0.91)
&rst
ixpk= 919, nxpk= 0, iat= 932, 936, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 95 PHE H 95 PHE HB3 3.88 (#peak 920 #SUP 0.99 #QF 0.99)
&rst
ixpk= 920, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 94 ARG HB2 95 PHE H 4.42 (#peak 922 #SUP 0.94 #QF 0.94)
&rst
ixpk= 922, nxpk= 0, iat= 912, 932, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 94 ARG HB3 95 PHE H 4.42 (#peak 923 #SUP 0.92 #QF 0.92)
&rst
ixpk= 923, nxpk= 0, iat= 913, 932, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 95 PHE H 95 PHE QD 3.54 (#peak 925 #SUP 0.95 #QF 0.95)
&rst
ixpk= 925, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 940, 948,
&end
#
# 90 GLY H 91 GLN HA 4.89 (#peak 930 #SUP 0.89 #QF 0.89)
&rst
ixpk= 930, nxpk= 0, iat= 861, 870, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 119 GLY H 121 TYR QD 4.92 (#peak 932 #SUP 0.99 #QF 0.99)
&rst
ixpk= 932, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1358,1367,
&end
#
# 118 SER H 119 GLY H 4.72 (#peak 933 #SUP 0.99 #QF 0.99)
&rst
ixpk= 933, nxpk= 0, iat=1318,1329, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 76 THR H 77 ASP HB2 5.10 (#peak 935 #SUP 0.51 #QF 0.51)
&rst
ixpk= 935, nxpk= 0, iat= 647, 665, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 75 GLN H 76 THR H 4.68 (#peak 936 #SUP 0.98 #QF 0.98)
&rst
ixpk= 936, nxpk= 0, iat= 630, 647, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 76 THR H 77 ASP H 4.58 (#peak 937 #SUP 0.88 #QF 0.88)
&rst
ixpk= 937, nxpk= 0, iat= 647, 661, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 66 ASN HA 80 ALA H 4.88 (#peak 939 #SUP 0.64 #QF 0.64)
&rst
ixpk= 939, nxpk= 0, iat= 482, 714, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 68 TYR HA 80 ALA H 5.19 (#peak 940 #SUP 0.92 #QF 0.92)
&rst
ixpk= 940, nxpk= 0, iat= 520, 714, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 37 PHE HA 53 THR H 5.33 (#peak 942 #SUP 0.79 #QF 0.79)
&rst
ixpk= 942, nxpk= 0, iat= 65, 294, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 61 GLU QG 62 SER H 4.69 (#peak 943 #SUP 0.84 #QF 0.84)
&rst
ixpk= 943, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 406, 407,
&end
#
# 120 THR H 121 TYR QE 4.77 (#peak 945 #SUP 0.68 #QF 0.68)
&rst
ixpk= 945, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1360,1365,
&end
#
# 120 THR H 121 TYR H 4.76 (#peak 947 #SUP 0.99 #QF 0.99)
&rst
ixpk= 947, nxpk= 0, iat=1336,1350, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 105 ASP H 106 PHE H 4.72 (#peak 948 #SUP 0.98 #QF 0.98)
&rst
ixpk= 948, nxpk= 0, iat=1101,1113, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 100 LEU HG 106 PHE H 4.75 (#peak 949 #SUP 0.85 #QF 0.85)
&rst
ixpk= 949, nxpk= 0, iat=1030,1113, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 126 ILE HG13 133 GLN H 4.64 (#peak 950 #SUP 0.96 #QF 0.96)
&rst
ixpk= 950, nxpk= 0, iat=1428,1522, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 ARG H 79 LEU QD1 4.75 (#peak 951 #SUP 0.99 #QF 0.99)
&rst
ixpk= 951, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 704, 705, 706,
&end
#
# 60 SER QB 61 GLU H 4.68 (#peak 952 #SUP 0.84 #QF 0.84)
&rst
ixpk= 952, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 392, 393,
&end
#
# 89 PRO HA 91 GLN H 4.19 (#peak 953 #SUP 0.54 #QF 0.54)
&rst
ixpk= 953, nxpk= 0, iat= 857, 868, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 144 VAL HB 145 THR H 4.63 (#peak 954 #SUP 0.94 #QF 0.94)
&rst
ixpk= 954, nxpk= 0, iat=1721,1733, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 VAL HA 145 THR H 5.17 (#peak 955 #SUP 0.99 #QF 0.99)
&rst
ixpk= 955, nxpk= 0, iat= 158,1733, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 82 PHE QD 84 GLU H 4.62 (#peak 956 #SUP 0.88 #QF 0.88)
&rst
ixpk= 956, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 742, 750,
&end
#
# 115 ARG QD 146 GLU H 4.53 (#peak 957 #SUP 0.97 #QF 0.97)
&rst
ixpk= 957, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1278,1279,
&end
#
# 51 THR QG2 98 THR H 5.40 (#peak 958 #SUP 0.95 #QF 0.95)
&rst
ixpk= 958, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 266, 267, 268,
&end
#
# 98 THR H 107 HIS H 3.69 (#peak 959 #SUP 0.96 #QF 0.96)
&rst
ixpk= 959, nxpk= 0, iat= 992,1133, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 44 VAL H 143 ARG QG 5.26 (#peak 960 #SUP 0.62 #QF 0.62)
&rst
ixpk= 960, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1700,1701,
&end
#
# 64 VAL HB 126 ILE H 4.76 (#peak 961 #SUP 0.95 #QF 0.95)
&rst
ixpk= 961, nxpk= 0, iat= 449,1417, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 112 ARG QG 113 ALA H 4.78 (#peak 962 #SUP 0.65 #QF 0.65)
&rst
ixpk= 962, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1217,1218,
&end
#
# 48 ASP H 144 VAL QG2 5.40 (#peak 964 #SUP 0.77 #QF 0.77)
&rst
ixpk= 964, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1727,1728,1729,
&end
#
# 127 SER H 132 ALA HA 4.53 (#peak 965 #SUP 0.80 #QF 0.80)
&rst
ixpk= 965, nxpk= 0, iat=1436,1514, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 70 MET H 76 THR QG2 5.03 (#peak 967 #SUP 0.87 #QF 0.87)
&rst
ixpk= 967, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 653, 654, 655,
&end
#
# 120 THR HB 121 TYR H 4.61 (#peak 969 #SUP 0.94 #QF 0.94)
&rst
ixpk= 969, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 68 TYR H 122 LEU QQD 4.78 (#peak 971 #SUP 0.97 #QF 0.97)
&rst
ixpk= 971, nxpk= 0, iat= 518,1377, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 68 TYR H 76 THR QG2 5.50 (#peak 972 #SUP 0.60 #QF 0.28)
&rst
ixpk= 972, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 653, 654, 655,
&end
#
# 68 TYR H 79 LEU HB2 5.50 (#peak 972 #SUP 0.60 #QF 0.28)
&rst
ixpk= 972, nxpk= 0, iat= 518, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 ARG HB3 77 ASP H 5.03 (#peak 974 #SUP 1.00 #QF 0.99)
&rst
ixpk= 974, nxpk= 0, iat= 544, 661, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 69 ARG HB2 77 ASP H 5.03 (#peak 975 #SUP 0.96 #QF 0.96)
&rst
ixpk= 975, nxpk= 0, iat= 543, 661, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 128 LEU QD1 129 ALA H 5.48 (#peak 977 #SUP 0.84 #QF 0.52)
&rst
ixpk= 977, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1456,1457,1458,
&end
#
# 128 LEU QD2 129 ALA H 5.48 (#peak 977 #SUP 0.84 #QF 0.52)
&rst
ixpk= 977, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1460,1461,1462,
&end
#
# 139 ARG H 140 ALA H 4.61 (#peak 978 #SUP 0.97 #QF 0.97)
&rst
ixpk= 978, nxpk= 0, iat=1625,1649, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 141 GLU H 142 LEU H 4.62 (#peak 979 #SUP 0.98 #QF 0.98)
&rst
ixpk= 979, nxpk= 0, iat=1659,1674, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 125 ALA H 134 ILE QG2 4.53 (#peak 980 #SUP 0.88 #QF 0.88)
&rst
ixpk= 980, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1545,1546,1547,
&end
#
# 147 ARG H 148 ARG HA 5.25 (#peak 982 #SUP 0.65 #QF 0.65)
&rst
ixpk= 982, nxpk= 0, iat=1762,1788, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 147 ARG H 148 ARG H 4.75 (#peak 983 #SUP 0.88 #QF 0.88)
&rst
ixpk= 983, nxpk= 0, iat=1762,1786, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 99 GLN H 106 PHE QD 4.96 (#peak 984 #SUP 0.77 #QF 0.77)
&rst
ixpk= 984, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1121,1129,
&end
#
# 79 LEU H 79 LEU QD1 4.72 (#peak 987 #SUP 1.00)
&rst
ixpk= 987, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 704, 705, 706,
&end
#
# 68 TYR QD 79 LEU H 4.91 (#peak 988 #SUP 0.98 #QF 0.98)
&rst
ixpk= 988, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 526, 535,
&end
#
# 37 PHE QD 54 CYS H 5.22 (#peak 990 #SUP 0.98 #QF 0.98)
&rst
ixpk= 990, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 71, 79,
&end
#
# 141 GLU QB 143 ARG H 5.49 (#peak 991 #SUP 0.65 #QF 0.65)
&rst
ixpk= 991, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1663,1664,
&end
#
# 52 PHE QE 143 ARG H 5.45 (#peak 993 #SUP 0.98 #QF 0.98)
&rst
ixpk= 993, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 284, 288,
&end
#
# 97 VAL H 97 VAL QG2 4.04 (#peak 999 #SUP 0.98 #QF 0.98)
&rst
ixpk= 999, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 986, 987, 988,
&end
#
# 96 ARG H 97 VAL H 4.70 (#peak 1001 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1001, nxpk= 0, iat= 952, 976, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 97 VAL H 98 THR H 5.07 (#peak 1001 #SUP 0.98 #QF 0.96)
&rst
ixpk= 1001, nxpk= 0, iat= 976, 992, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 67 TRP HE1 68 TYR H 5.16 (#peak 1002 #SUP 0.45 #QF 0.45)
&rst
ixpk= 1002, nxpk= 0, iat= 504, 518, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 67 TRP HE1 121 TYR HA 4.81 (#peak 1007 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1007, nxpk= 0, iat= 504,1352, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 67 TRP HE1 121 TYR HB3 4.07 (#peak 1008 #SUP 0.88 #QF 0.88)
&rst
ixpk= 1008, nxpk= 0, iat= 504,1355, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 67 TRP HE1 121 TYR HB2 4.07 (#peak 1009 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1009, nxpk= 0, iat= 504,1354, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 56 PHE QD 57 SER H 4.86 (#peak 1010 #SUP 1.00)
&rst
ixpk= 1010, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 337, 345,
&end
#
# 97 VAL HA 97 VAL QG2 3.72 (#peak 2 #SUP 1.00)
&rst
ixpk= 2, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 986, 987, 988,
&end
#
# 97 VAL HA 108 MET HA 3.76 (#peak 5 #SUP 0.99 #QF 0.99)
&rst
ixpk= 5, nxpk= 0, iat= 978,1152, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 SER HB3 75 GLN QG 4.32 (#peak 10 #SUP 0.68 #QF 0.68)
&rst
ixpk= 10, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 637, 638,
&end
#
# 73 SER HB2 75 GLN QG 4.32 (#peak 11 #SUP 0.82 #QF 0.82)
&rst
ixpk= 11, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 637, 638,
&end
#
# 75 GLN HA 75 GLN QG 3.47 (#peak 12 #SUP 1.00)
&rst
ixpk= 12, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 637, 638,
&end
#
# 82 PHE QD 97 VAL HB 4.73 (#peak 14 #SUP 0.95 #QF 0.95)
&rst
ixpk= 14, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 742, 750,
&end
#
# 97 VAL QG2 108 MET QE 4.15 (#peak 21 #SUP 1.00)
&rst
ixpk= 21, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 986, 987, 988,
igr2=1161,1162,1163,
&end
#
# 97 VAL HA 97 VAL QG1 3.72 (#peak 23 #SUP 0.98 #QF 0.98)
&rst
ixpk= 23, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 982, 983, 984,
&end
#
# 50 ALA QB 142 LEU QD1 3.27 (#peak 29 #SUP 1.00 #QF 0.96)
&rst
ixpk= 29, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 254, 255, 256,
igr2=1683,1684,1685,
&end
#
# 50 ALA QB 142 LEU QD2 3.75 (#peak 29 #SUP 1.00 #QF 0.96)
&rst
ixpk= 29, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 254, 255, 256,
igr2=1687,1688,1689,
&end
#
# 44 VAL QG2 50 ALA QB 3.23 (#peak 30 #SUP 0.99 #QF 0.99)
&rst
ixpk= 30, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 182, 183, 184,
igr2= 254, 255, 256,
&end
#
# 42 LEU QD2 50 ALA QB 4.20 (#peak 31 #SUP 0.97 #QF 0.97)
&rst
ixpk= 31, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 150, 151, 152,
igr2= 254, 255, 256,
&end
#
# 43 VAL HA 43 VAL QG2 3.70 (#peak 35 #SUP 1.00 #QF 0.99)
&rst
ixpk= 35, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 166, 167, 168,
&end
#
# 43 VAL HA 43 VAL QG1 3.70 (#peak 42 #SUP 0.97 #QF 0.97)
&rst
ixpk= 42, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 162, 163, 164,
&end
#
# 63 PHE HA 64 VAL QQG 4.29 (#peak 43 #SUP 0.92 #QF 0.89)
&rst
ixpk= 43, nxpk= 0, iat= 427, 448, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 64 VAL QQG 81 ALA HA 4.78 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat= 448, 726, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 64 VAL QQG 81 ALA QB 3.36 (#peak 47 #SUP 0.92 #QF 0.92)
&rst
ixpk= 47, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 728, 729, 730,
&end
#
# 44 VAL HA 44 VAL QG1 3.36 (#peak 50 #SUP 0.98 #QF 0.98)
&rst
ixpk= 50, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 178, 179, 180,
&end
#
# 44 VAL HA 44 VAL QG2 3.85 (#peak 51 #SUP 0.99 #QF 0.99)
&rst
ixpk= 51, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 182, 183, 184,
&end
#
# 44 VAL HB 50 ALA QB 4.35 (#peak 55 #SUP 1.00)
&rst
ixpk= 55, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 254, 255, 256,
&end
#
# 44 VAL HB 48 ASP HB3 4.10 (#peak 56 #SUP 1.00)
&rst
ixpk= 56, nxpk= 0, iat= 176, 229, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 44 VAL HB 48 ASP HB2 4.10 (#peak 57 #SUP 1.00)
&rst
ixpk= 57, nxpk= 0, iat= 176, 228, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 44 VAL QG2 113 ALA QB 3.45 (#peak 61 #SUP 0.97 #QF 0.97)
&rst
ixpk= 61, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 182, 183, 184,
igr2=1238,1239,1240,
&end
#
# 44 VAL QG2 142 LEU QD1 3.88 (#peak 63 #SUP 1.00 #QF 0.63)
&rst
ixpk= 63, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 182, 183, 184,
igr2=1683,1684,1685,
&end
#
# 44 VAL QG2 144 VAL QG1 3.68 (#peak 64 #SUP 0.99 #QF 0.99)
&rst
ixpk= 64, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 182, 183, 184,
igr2=1723,1724,1725,
&end
#
# 42 LEU QD2 44 VAL QG1 3.89 (#peak 69 #SUP 0.92 #QF 0.92)
&rst
ixpk= 69, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 150, 151, 152,
igr2= 178, 179, 180,
&end
#
# 42 LEU QD1 44 VAL QG1 3.89 (#peak 70 #SUP 0.97 #QF 0.97)
&rst
ixpk= 70, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 146, 147, 148,
igr2= 178, 179, 180,
&end
#
# 44 VAL QG1 113 ALA QB 4.62 (#peak 72 #SUP 0.97 #QF 0.97)
&rst
ixpk= 72, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 178, 179, 180,
igr2=1238,1239,1240,
&end
#
# 44 VAL QG1 50 ALA QB 3.48 (#peak 73 #SUP 0.98 #QF 0.98)
&rst
ixpk= 73, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 178, 179, 180,
igr2= 254, 255, 256,
&end
#
# 44 VAL QG1 50 ALA HA 3.62 (#peak 76 #SUP 0.97 #QF 0.97)
&rst
ixpk= 76, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 178, 179, 180,
&end
#
# 64 VAL HB 126 ILE QG2 3.53 (#peak 81 #SUP 1.00)
&rst
ixpk= 81, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1423,1424,1425,
&end
#
# 64 VAL HA 64 VAL QQG 3.33 (#peak 82 #SUP 0.99 #QF 0.99)
&rst
ixpk= 82, nxpk= 0, iat= 447, 448, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 50 ALA QB 110 VAL HB 3.65 (#peak 90 #SUP 0.94 #QF 0.94)
&rst
ixpk= 90, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 254, 255, 256,
&end
#
# 110 VAL HB 113 ALA QB 4.25 (#peak 91 #SUP 1.00)
&rst
ixpk= 91, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1238,1239,1240,
&end
#
# 110 VAL HA 110 VAL QG1 3.78 (#peak 95 #SUP 1.00)
&rst
ixpk= 95, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1184,1185,1186,
&end
#
# 110 VAL QG2 142 LEU QD2 4.78 (#peak 98 #SUP 0.96 #QF 0.96)
&rst
ixpk= 98, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1188,1189,1190,
igr2=1687,1688,1689,
&end
#
# 110 VAL HA 110 VAL QG2 3.78 (#peak 100 #SUP 0.97 #QF 0.97)
&rst
ixpk= 100, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1188,1189,1190,
&end
#
# 95 PHE QD 110 VAL QG2 4.57 (#peak 102 #SUP 0.85 #QF 0.85)
&rst
ixpk= 102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 940, 948,
igr2=1188,1189,1190,
&end
#
# 111 VAL HA 111 VAL QG2 3.68 (#peak 106 #SUP 0.97 #QF 0.97)
&rst
ixpk= 106, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1204,1205,1206,
&end
#
# 49 ASN HA 111 VAL HA 3.98 (#peak 108 #SUP 0.99 #QF 0.99)
&rst
ixpk= 108, nxpk= 0, iat= 238,1196, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 94 ARG HA 111 VAL QG1 4.74 (#peak 113 #SUP 0.92 #QF 0.92)
&rst
ixpk= 113, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1200,1201,1202,
&end
#
# 111 VAL HA 111 VAL QG1 3.68 (#peak 114 #SUP 0.96 #QF 0.96)
&rst
ixpk= 114, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1200,1201,1202,
&end
#
# 144 VAL HA 144 VAL QG2 3.39 (#peak 115 #SUP 1.00)
&rst
ixpk= 115, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1727,1728,1729,
&end
#
# 44 VAL QG2 144 VAL HA 3.76 (#peak 116 #SUP 1.00)
&rst
ixpk= 116, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 182, 183, 184,
&end
#
# 144 VAL HA 144 VAL QG1 3.36 (#peak 117 #SUP 1.00)
&rst
ixpk= 117, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1723,1724,1725,
&end
#
# 115 ARG HA 144 VAL HB 3.37 (#peak 121 #SUP 0.91 #QF 0.91)
&rst
ixpk= 121, nxpk= 0, iat=1270,1721, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 142 LEU HG 144 VAL QG2 3.78 (#peak 124 #SUP 0.76 #QF 0.76)
&rst
ixpk= 124, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1727,1728,1729,
&end
#
# 113 ALA QB 144 VAL QG2 3.44 (#peak 125 #SUP 0.94 #QF 0.94)
&rst
ixpk= 125, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1238,1239,1240,
igr2=1727,1728,1729,
&end
#
# 44 VAL QG2 144 VAL QG2 3.32 (#peak 126 #SUP 0.93 #QF 0.93)
&rst
ixpk= 126, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 182, 183, 184,
igr2=1727,1728,1729,
&end
#
# 117 ASP HB3 144 VAL QG2 4.29 (#peak 128 #SUP 0.94 #QF 0.94)
&rst
ixpk= 128, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1727,1728,1729,
&end
#
# 117 ASP HB2 144 VAL QG2 4.29 (#peak 129 #SUP 0.96 #QF 0.96)
&rst
ixpk= 129, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1727,1728,1729,
&end
#
# 115 ARG HA 144 VAL QG2 3.96 (#peak 130 #SUP 1.00)
&rst
ixpk= 130, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1727,1728,1729,
&end
#
# 118 SER HA 144 VAL QG2 3.97 (#peak 131 #SUP 0.91 #QF 0.91)
&rst
ixpk= 131, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1727,1728,1729,
&end
#
# 45 THR HA 144 VAL QG1 4.35 (#peak 141 #SUP 1.00 #QF 0.99)
&rst
ixpk= 141, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1723,1724,1725,
&end
#
# 36 THR HA 36 THR QG2 3.50 (#peak 142 #SUP 0.99 #QF 0.99)
&rst
ixpk= 142, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 55, 56, 57,
&end
#
# 45 THR HA 45 THR QG2 3.26 (#peak 149 #SUP 1.00)
&rst
ixpk= 149, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 194, 195, 196,
&end
#
# 51 THR QG2 107 HIS HB2 4.09 (#peak 157 #SUP 0.99 #QF 0.99)
&rst
ixpk= 157, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 266, 267, 268,
&end
#
# 51 THR QG2 107 HIS HB3 4.09 (#peak 158 #SUP 0.97 #QF 0.97)
&rst
ixpk= 158, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 266, 267, 268,
&end
#
# 51 THR HA 51 THR QG2 3.61 (#peak 159 #SUP 0.98 #QF 0.98)
&rst
ixpk= 159, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 266, 267, 268,
&end
#
# 51 THR QG2 107 HIS HA 4.01 (#peak 160 #SUP 0.98 #QF 0.98)
&rst
ixpk= 160, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 266, 267, 268,
&end
#
# 51 THR HA 109 SER HA 3.42 (#peak 162 #SUP 1.00)
&rst
ixpk= 162, nxpk= 0, iat= 262,1169, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 120 THR HA 120 THR QG2 3.61 (#peak 166 #SUP 1.00)
&rst
ixpk= 166, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1342,1343,1344,
&end
#
# 120 THR HA 141 GLU HA 3.50 (#peak 168 #SUP 0.96 #QF 0.96)
&rst
ixpk= 168, nxpk= 0, iat=1338,1661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 MET HB2 120 THR HB 4.05 (#peak 173 #SUP 1.00)
&rst
ixpk= 173, nxpk= 0, iat= 567,1340, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 70 MET HB3 120 THR HB 4.05 (#peak 174 #SUP 0.97 #QF 0.97)
&rst
ixpk= 174, nxpk= 0, iat= 568,1340, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 70 MET HG2 120 THR HB 4.28 (#peak 175 #SUP 0.98 #QF 0.98)
&rst
ixpk= 175, nxpk= 0, iat= 570,1340, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 70 MET HG3 120 THR HB 4.28 (#peak 176 #SUP 0.99 #QF 0.99)
&rst
ixpk= 176, nxpk= 0, iat= 571,1340, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 53 THR HA 53 THR QG2 3.48 (#peak 181 #SUP 0.99 #QF 0.99)
&rst
ixpk= 181, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 300, 301, 302,
&end
#
# 68 TYR QD 76 THR HB 4.01 (#peak 184 #SUP 0.95 #QF 0.95)
&rst
ixpk= 184, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 526, 535,
&end
#
# 76 THR HA 76 THR QG2 3.44 (#peak 190 #SUP 1.00)
&rst
ixpk= 190, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 653, 654, 655,
&end
#
# 76 THR QG2 122 LEU QQD 3.58 (#peak 194 #SUP 0.97 #QF 0.97)
&rst
ixpk= 194, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 653, 654, 655,
&end
#
# 98 THR HB 107 HIS HB2 4.20 (#peak 198 #SUP 0.99 #QF 0.99)
&rst
ixpk= 198, nxpk= 0, iat= 996,1137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 98 THR HB 107 HIS HB3 4.20 (#peak 199 #SUP 0.97 #QF 0.97)
&rst
ixpk= 199, nxpk= 0, iat= 996,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 98 THR HA 98 THR QG2 3.29 (#peak 202 #SUP 0.99 #QF 0.99)
&rst
ixpk= 202, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 998, 999,1000,
&end
#
# 120 THR QG2 141 GLU HA 4.21 (#peak 204 #SUP 0.95 #QF 0.95)
&rst
ixpk= 204, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1342,1343,1344,
&end
#
# 120 THR QG2 141 GLU QB 4.87 (#peak 207 #SUP 0.98 #QF 0.96)
&rst
ixpk= 207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1342,1343,1344,
igr2=1663,1664,
&end
#
# 120 THR QG2 139 ARG HG3 4.31 (#peak 208 #SUP 0.98 #QF 0.98)
&rst
ixpk= 208, nxpk= 0, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1342,1343,1344,
&end
#
# 120 THR QG2 122 LEU QQD 4.23 (#peak 209 #SUP 0.97 #QF 0.97)
&rst
ixpk= 209, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1342,1343,1344,
&end
#
# 145 THR HA 145 THR HB 2.98 (#peak 210 #SUP 0.99 #QF 0.99)
&rst
ixpk= 210, nxpk= 0, iat=1735,1737, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 145 THR HA 145 THR QG2 3.20 (#peak 215 #SUP 0.98 #QF 0.98)
&rst
ixpk= 215, nxpk= 0, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1739,1740,1741,
&end
#
# 43 VAL HB 145 THR QG2 4.85 (#peak 216 #SUP 0.93 #QF 0.93)
&rst
ixpk= 216, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1739,1740,1741,
&end
#
# 143 ARG QG 145 THR QG2 4.03 (#peak 217 #SUP 0.98 #QF 0.98)
&rst
ixpk= 217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1700,1701,
igr2=1739,1740,1741,
&end
#
# 59 THR HA 59 THR QG2 3.57 (#peak 221 #SUP 1.00 #QF 0.95)
&rst
ixpk= 221, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 380, 381, 382,
&end
#
# 126 ILE HA 126 ILE QD1 4.36 (#peak 223 #SUP 1.00)
&rst
ixpk= 223, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1430,1431,1432,
&end
#
# 126 ILE HB 126 ILE QD1 3.84 (#peak 229 #SUP 1.00)
&rst
ixpk= 229, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1430,1431,1432,
&end
#
# 126 ILE QG2 126 ILE HG12 3.86 (#peak 235 #SUP 0.99 #QF 0.97)
&rst
ixpk= 235, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1423,1424,1425,
&end
#
# 126 ILE QG2 126 ILE HG13 3.86 (#peak 240 #SUP 1.00)
&rst
ixpk= 240, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1423,1424,1425,
&end
#
# 126 ILE QG2 126 ILE QD1 3.25 (#peak 241 #SUP 0.99 #QF 0.99)
&rst
ixpk= 241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1423,1424,1425,
igr2=1430,1431,1432,
&end
#
# 126 ILE QG2 132 ALA QB 3.81 (#peak 244 #SUP 0.99 #QF 0.99)
&rst
ixpk= 244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1423,1424,1425,
igr2=1516,1517,1518,
&end
#
# 126 ILE HA 126 ILE QG2 3.85 (#peak 246 #SUP 1.00)
&rst
ixpk= 246, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1423,1424,1425,
&end
#
# 126 ILE HA 134 ILE HA 4.24 (#peak 253 #SUP 0.99 #QF 0.99)
&rst
ixpk= 253, nxpk= 0, iat=1419,1541, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 126 ILE HB 134 ILE HA 4.31 (#peak 254 #SUP 0.99 #QF 0.99)
&rst
ixpk= 254, nxpk= 0, iat=1421,1541, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 134 ILE HA 134 ILE QD1 4.35 (#peak 256 #SUP 0.90 #QF 0.90)
&rst
ixpk= 256, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1552,1553,1554,
&end
#
# 134 ILE HA 134 ILE QG2 3.89 (#peak 257 #SUP 0.99 #QF 0.23)
&rst
ixpk= 257, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1545,1546,1547,
&end
#
# 134 ILE HB 134 ILE QD1 3.62 (#peak 258 #SUP 0.98 #QF 0.98)
&rst
ixpk= 258, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1552,1553,1554,
&end
#
# 134 ILE QG2 134 ILE HG12 4.09 (#peak 266 #SUP 1.00 #QF 0.43)
&rst
ixpk= 266, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1545,1546,1547,
&end
#
# 134 ILE QG2 136 GLU HG3 4.42 (#peak 277 #SUP 0.98 #QF 0.98)
&rst
ixpk= 277, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1545,1546,1547,
&end
#
# 134 ILE QG2 134 ILE HG13 4.09 (#peak 279 #SUP 0.97 #QF 0.97)
&rst
ixpk= 279, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1545,1546,1547,
&end
#
# 41 LEU HA 41 LEU QD2 4.33 (#peak 284 #SUP 0.99 #QF 0.99)
&rst
ixpk= 284, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 131, 132, 133,
&end
#
# 41 LEU HA 41 LEU HG 4.15 (#peak 285 #SUP 0.97 #QF 0.97)
&rst
ixpk= 285, nxpk= 0, iat= 120, 125, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 41 LEU HB3 41 LEU QD2 3.91 (#peak 295 #SUP 0.98 #QF 0.98)
&rst
ixpk= 295, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 131, 132, 133,
&end
#
# 41 LEU HB2 41 LEU QD1 3.91 (#peak 297 #SUP 1.00)
&rst
ixpk= 297, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 127, 128, 129,
&end
#
# 41 LEU HB3 41 LEU QD1 3.91 (#peak 301 #SUP 1.00)
&rst
ixpk= 301, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 127, 128, 129,
&end
#
# 41 LEU HA 41 LEU QD1 4.33 (#peak 304 #SUP 1.00)
&rst
ixpk= 304, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 127, 128, 129,
&end
#
# 41 LEU HB2 41 LEU QD2 3.91 (#peak 311 #SUP 0.99 #QF 0.99)
&rst
ixpk= 311, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 131, 132, 133,
&end
#
# 42 LEU HB3 42 LEU QD2 3.99 (#peak 318 #SUP 0.97 #QF 0.97)
&rst
ixpk= 318, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 150, 151, 152,
&end
#
# 42 LEU HB3 142 LEU QD1 3.90 (#peak 321 #SUP 0.99 #QF 0.99)
&rst
ixpk= 321, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1683,1684,1685,
&end
#
# 42 LEU HB2 42 LEU QD1 3.96 (#peak 324 #SUP 1.00)
&rst
ixpk= 324, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 146, 147, 148,
&end
#
# 42 LEU HG 44 VAL QG1 3.90 (#peak 330 #SUP 0.99 #QF 0.87)
&rst
ixpk= 330, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 178, 179, 180,
&end
#
# 42 LEU HG 142 LEU QD1 4.09 (#peak 331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 331, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1683,1684,1685,
&end
#
# 42 LEU HB2 42 LEU QD2 3.96 (#peak 337 #SUP 0.99 #QF 0.85)
&rst
ixpk= 337, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 150, 151, 152,
&end
#
# 42 LEU QD2 142 LEU QD1 4.22 (#peak 338 #SUP 0.92 #QF 0.92)
&rst
ixpk= 338, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 150, 151, 152,
igr2=1683,1684,1685,
&end
#
# 42 LEU QD1 50 ALA QB 4.20 (#peak 345 #SUP 1.00)
&rst
ixpk= 345, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 146, 147, 148,
igr2= 254, 255, 256,
&end
#
# 42 LEU QD1 142 LEU QD1 4.22 (#peak 348 #SUP 0.99 #QF 0.99)
&rst
ixpk= 348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 146, 147, 148,
igr2=1683,1684,1685,
&end
#
# 42 LEU HB3 42 LEU QD1 3.99 (#peak 351 #SUP 0.99 #QF 0.99)
&rst
ixpk= 351, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 146, 147, 148,
&end
#
# 42 LEU HA 42 LEU QD1 4.63 (#peak 352 #SUP 0.94 #QF 0.94)
&rst
ixpk= 352, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 146, 147, 148,
&end
#
# 65 LEU QD2 108 MET QE 4.09 (#peak 372 #SUP 1.00)
&rst
ixpk= 372, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 474, 475, 476,
igr2=1161,1162,1163,
&end
#
# 79 LEU HA 79 LEU QD2 4.62 (#peak 374 #SUP 0.99 #QF 0.99)
&rst
ixpk= 374, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 708, 709, 710,
&end
#
# 79 LEU HB2 79 LEU QD1 4.18 (#peak 377 #SUP 0.91 #QF 0.91)
&rst
ixpk= 377, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 704, 705, 706,
&end
#
# 79 LEU HB3 79 LEU QD1 4.21 (#peak 378 #SUP 0.97 #QF 0.97)
&rst
ixpk= 378, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 704, 705, 706,
&end
#
# 69 ARG HB3 79 LEU QD1 4.49 (#peak 389 #SUP 1.00 #QF 0.99)
&rst
ixpk= 389, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 704, 705, 706,
&end
#
# 79 LEU QD2 121 TYR QD 4.63 (#peak 393 #SUP 0.92 #QF 0.92)
&rst
ixpk= 393, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 708, 709, 710,
igr2=1358,1367,
&end
#
# 69 ARG HD3 79 LEU QD2 5.14 (#peak 394 #SUP 0.94 #QF 0.94)
&rst
ixpk= 394, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 708, 709, 710,
&end
#
# 69 ARG HB3 79 LEU QD2 4.49 (#peak 396 #SUP 0.99 #QF 0.96)
&rst
ixpk= 396, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 708, 709, 710,
&end
#
# 79 LEU HB2 79 LEU QD2 4.18 (#peak 398 #SUP 0.82 #QF 0.82)
&rst
ixpk= 398, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 708, 709, 710,
&end
#
# 79 LEU HB3 79 LEU QD2 4.21 (#peak 399 #SUP 0.89 #QF 0.89)
&rst
ixpk= 399, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 708, 709, 710,
&end
#
# 100 LEU HA 100 LEU HG 4.19 (#peak 402 #SUP 0.99 #QF 0.99)
&rst
ixpk= 402, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 100 LEU HA 101 PRO QD 3.44 (#peak 403 #SUP 0.98 #QF 0.98)
&rst
ixpk= 403, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1043,1044,
&end
#
# 100 LEU QB 105 ASP HB3 4.26 (#peak 407 #SUP 0.95 #QF 0.95)
&rst
ixpk= 407, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1027,1028,
&end
#
# 100 LEU QB 101 PRO QD 3.78 (#peak 408 #SUP 0.98 #QF 0.98)
&rst
ixpk= 408, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1027,1028,
igr2=1043,1044,
&end
#
# 126 ILE HG13 132 ALA QB 4.27 (#peak 412 #SUP 0.98 #QF 0.88)
&rst
ixpk= 412, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1516,1517,1518,
&end
#
# 100 LEU QB 100 LEU QD1 3.83 (#peak 414 #SUP 0.98 #QF 0.98)
&rst
ixpk= 414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1027,1028,
igr2=1032,1033,1034,
&end
#
# 100 LEU QD1 105 ASP HB3 4.63 (#peak 416 #SUP 0.97 #QF 0.97)
&rst
ixpk= 416, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1032,1033,1034,
&end
#
# 100 LEU QB 100 LEU QD2 3.83 (#peak 418 #SUP 0.98 #QF 0.98)
&rst
ixpk= 418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1027,1028,
igr2=1036,1037,1038,
&end
#
# 100 LEU HA 100 LEU QD2 4.34 (#peak 420 #SUP 0.97 #QF 0.97)
&rst
ixpk= 420, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1036,1037,1038,
&end
#
# 122 LEU HB3 122 LEU QQD 3.76 (#peak 427 #SUP 1.00 #QF 0.34)
&rst
ixpk= 427, nxpk= 0, iat=1376,1377, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 122 LEU HB2 122 LEU QQD 3.76 (#peak 428 #SUP 1.00)
&rst
ixpk= 428, nxpk= 0, iat=1375,1377, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 122 LEU QQD 139 ARG QB 4.33 (#peak 432 #SUP 0.98 #QF 0.98)
&rst
ixpk= 432, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1629,1630,
&end
#
# 128 LEU HA 128 LEU QD1 4.00 (#peak 438 #SUP 0.99 #QF 0.27)
&rst
ixpk= 438, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1456,1457,1458,
&end
#
# 128 LEU HA 128 LEU QD2 4.00 (#peak 457 #SUP 0.90 #QF 0.90)
&rst
ixpk= 457, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1460,1461,1462,
&end
#
# 138 LEU HA 138 LEU HG 4.17 (#peak 469 #SUP 0.96 #QF 0.96)
&rst
ixpk= 469, nxpk= 0, iat=1608,1613, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 138 LEU HA 138 LEU QD1 4.36 (#peak 475 #SUP 1.00)
&rst
ixpk= 475, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1615,1616,1617,
&end
#
# 138 LEU HA 138 LEU QD2 4.36 (#peak 476 #SUP 0.96 #QF 0.96)
&rst
ixpk= 476, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1619,1620,1621,
&end
#
# 142 LEU HA 142 LEU QD1 3.45 (#peak 479 #SUP 0.98 #QF 0.98)
&rst
ixpk= 479, nxpk= 0, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1683,1684,1685,
&end
#
# 142 LEU HB2 142 LEU QD2 4.01 (#peak 491 #SUP 0.99 #QF 0.99)
&rst
ixpk= 491, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1687,1688,1689,
&end
#
# 142 LEU HB3 142 LEU QD2 4.01 (#peak 493 #SUP 0.98 #QF 0.98)
&rst
ixpk= 493, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1687,1688,1689,
&end
#
# 44 VAL QG2 142 LEU QD2 4.20 (#peak 498 #SUP 0.97 #QF 0.87)
&rst
ixpk= 498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 182, 183, 184,
igr2=1687,1688,1689,
&end
#
# 110 VAL QG1 142 LEU QD2 4.78 (#peak 498 #SUP 0.97 #QF 0.87)
&rst
ixpk= 498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1184,1185,1186,
igr2=1687,1688,1689,
&end
#
# 118 SER HA 142 LEU QD2 4.30 (#peak 499 #SUP 0.92 #QF 0.92)
&rst
ixpk= 499, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1687,1688,1689,
&end
#
# 52 PHE QE 142 LEU QD2 4.10 (#peak 501 #SUP 0.98 #QF 0.98)
&rst
ixpk= 501, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 284, 288,
igr2=1687,1688,1689,
&end
#
# 52 PHE QE 142 LEU QD1 3.97 (#peak 504 #SUP 0.96 #QF 0.96)
&rst
ixpk= 504, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 284, 288,
igr2=1683,1684,1685,
&end
#
# 39 PRO HA 40 ALA QB 4.27 (#peak 512 #SUP 0.97 #QF 0.97)
&rst
ixpk= 512, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 112, 113, 114,
&end
#
# 44 VAL QG2 50 ALA HA 4.24 (#peak 515 #SUP 1.00)
&rst
ixpk= 515, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 182, 183, 184,
&end
#
# 67 TRP HB3 80 ALA QB 4.64 (#peak 519 #SUP 0.95 #QF 0.95)
&rst
ixpk= 519, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 718, 719, 720,
&end
#
# 80 ALA QB 95 PHE HB3 4.11 (#peak 520 #SUP 0.91 #QF 0.91)
&rst
ixpk= 520, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 718, 719, 720,
&end
#
# 80 ALA QB 95 PHE HB2 4.11 (#peak 521 #SUP 0.98 #QF 0.86)
&rst
ixpk= 521, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 718, 719, 720,
&end
#
# 66 ASN HA 81 ALA QB 4.17 (#peak 525 #SUP 0.63 #QF 0.63)
&rst
ixpk= 525, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 728, 729, 730,
&end
#
# 46 GLU HA 113 ALA QB 4.73 (#peak 532 #SUP 1.00)
&rst
ixpk= 532, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1238,1239,1240,
&end
#
# 113 ALA QB 142 LEU QD2 3.61 (#peak 533 #SUP 0.99 #QF 0.80)
&rst
ixpk= 533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1238,1239,1240,
igr2=1687,1688,1689,
&end
#
# 110 VAL QG1 113 ALA QB 4.19 (#peak 534 #SUP 1.00 #QF 0.93)
&rst
ixpk= 534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1184,1185,1186,
igr2=1238,1239,1240,
&end
#
# 113 ALA QB 144 VAL QG1 3.47 (#peak 535 #SUP 1.00)
&rst
ixpk= 535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1238,1239,1240,
igr2=1723,1724,1725,
&end
#
# 50 ALA QB 113 ALA QB 3.73 (#peak 536 #SUP 0.99 #QF 0.99)
&rst
ixpk= 536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 254, 255, 256,
igr2=1238,1239,1240,
&end
#
# 110 VAL QG2 113 ALA QB 4.19 (#peak 537 #SUP 0.96 #QF 0.96)
&rst
ixpk= 537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1188,1189,1190,
igr2=1238,1239,1240,
&end
#
# 65 LEU HA 125 ALA HA 3.92 (#peak 539 #SUP 1.00)
&rst
ixpk= 539, nxpk= 0, iat= 463,1409, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 LEU HA 125 ALA QB 4.37 (#peak 541 #SUP 0.96 #QF 0.96)
&rst
ixpk= 541, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1411,1412,1413,
&end
#
# 129 ALA HA 130 PRO HD3 3.77 (#peak 544 #SUP 0.99 #QF 0.99)
&rst
ixpk= 544, nxpk= 0, iat=1468,1478, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 127 SER HB3 129 ALA QB 4.51 (#peak 547 #SUP 1.00 #QF 0.59)
&rst
ixpk= 547, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1470,1471,1472,
&end
#
# 129 ALA QB 130 PRO HD2 4.08 (#peak 548 #SUP 1.00)
&rst
ixpk= 548, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1470,1471,1472,
&end
#
# 129 ALA QB 132 ALA QB 3.94 (#peak 549 #SUP 0.88 #QF 0.88)
&rst
ixpk= 549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1470,1471,1472,
igr2=1516,1517,1518,
&end
#
# 127 SER HB2 132 ALA QB 4.12 (#peak 552 #SUP 0.99 #QF 0.99)
&rst
ixpk= 552, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1516,1517,1518,
&end
#
# 127 SER HB3 132 ALA QB 4.12 (#peak 553 #SUP 0.97 #QF 0.97)
&rst
ixpk= 553, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1516,1517,1518,
&end
#
# 126 ILE HG12 132 ALA QB 4.27 (#peak 554 #SUP 0.98 #QF 0.91)
&rst
ixpk= 554, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1516,1517,1518,
&end
#
# 126 ILE QD1 132 ALA QB 3.78 (#peak 556 #SUP 0.98 #QF 0.98)
&rst
ixpk= 556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1430,1431,1432,
igr2=1516,1517,1518,
&end
#
# 40 ALA HA 140 ALA HA 3.82 (#peak 558 #SUP 1.00)
&rst
ixpk= 558, nxpk= 0, iat= 110,1651, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 40 ALA HA 140 ALA QB 3.76 (#peak 560 #SUP 0.95 #QF 0.95)
&rst
ixpk= 560, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1653,1654,1655,
&end
#
# 35 PRO HA 56 PHE QD 4.38 (#peak 567 #SUP 0.98 #QF 0.98)
&rst
ixpk= 567, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 337, 345,
&end
#
# 118 SER HB2 143 ARG HA 4.45 (#peak 576 #SUP 0.97 #QF 0.97)
&rst
ixpk= 576, nxpk= 0, iat=1322,1695, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 38 SER HA 39 PRO HA 3.32 (#peak 578 #SUP 0.87 #QF 0.87)
&rst
ixpk= 578, nxpk= 0, iat= 85, 104, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 88 GLN QG 89 PRO HD3 4.86 (#peak 641 #SUP 0.92 #QF 0.75)
&rst
ixpk= 641, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 837, 838,
&end
#
# 129 ALA HA 130 PRO HD2 3.77 (#peak 649 #SUP 1.00)
&rst
ixpk= 649, nxpk= 0, iat=1468,1477, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 129 ALA QB 130 PRO HD3 4.08 (#peak 653 #SUP 1.00)
&rst
ixpk= 653, nxpk= 0, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1470,1471,1472,
&end
#
# 69 ARG HA 69 ARG HG2 4.22 (#peak 669 #SUP 0.98 #QF 0.98)
&rst
ixpk= 669, nxpk= 0, iat= 541, 546, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 69 ARG HD2 79 LEU QD2 5.14 (#peak 688 #SUP 0.96 #QF 0.96)
&rst
ixpk= 688, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 708, 709, 710,
&end
#
# 86 ARG HA 86 ARG QD 4.20 (#peak 691 #SUP 0.93 #QF 0.93)
&rst
ixpk= 691, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 805, 806,
&end
#
# 86 ARG HA 86 ARG QG 3.90 (#peak 694 #SUP 0.85 #QF 0.85)
&rst
ixpk= 694, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 802, 803,
&end
#
# 148 ARG HA 148 ARG QD 4.97 (#peak 703 #SUP 1.00 #QF 0.97)
&rst
ixpk= 703, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1796,1797,
&end
#
# 80 ALA QB 96 ARG HA 4.53 (#peak 717 #SUP 1.00 #QF 0.34)
&rst
ixpk= 717, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 718, 719, 720,
&end
#
# 115 ARG QD 146 GLU HA 3.86 (#peak 727 #SUP 1.00)
&rst
ixpk= 727, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1278,1279,
&end
#
# 115 ARG HA 115 ARG QD 4.00 (#peak 728 #SUP 0.97 #QF 0.97)
&rst
ixpk= 728, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1278,1279,
&end
#
# 104 ARG QB 104 ARG QD 4.14 (#peak 733 #SUP 0.97 #QF 0.97)
&rst
ixpk= 733, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1081,1082,
igr2=1087,1088,
&end
#
# 112 ARG HA 112 ARG QG 3.91 (#peak 741 #SUP 0.83 #QF 0.83)
&rst
ixpk= 741, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1217,1218,
&end
#
# 47 GLY HA3 112 ARG HA 4.28 (#peak 742 #SUP 0.91 #QF 0.88)
&rst
ixpk= 742, nxpk= 0, iat= 220,1212, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 43 VAL QG1 143 ARG HD2 5.31 (#peak 750 #SUP 0.99 #QF 0.44)
&rst
ixpk= 750, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 162, 163, 164,
&end
#
# 43 VAL QG2 143 ARG HD2 5.31 (#peak 750 #SUP 0.99 #QF 0.44)
&rst
ixpk= 750, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 166, 167, 168,
&end
#
# 115 ARG HA 115 ARG HG2 4.16 (#peak 765 #SUP 1.00)
&rst
ixpk= 765, nxpk= 0, iat=1270,1275, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 115 ARG HB3 115 ARG QD 4.08 (#peak 768 #SUP 1.00)
&rst
ixpk= 768, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1278,1279,
&end
#
# 115 ARG HA 115 ARG HG3 4.16 (#peak 773 #SUP 0.78 #QF 0.78)
&rst
ixpk= 773, nxpk= 0, iat=1270,1276, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 45 THR QG2 147 ARG QG 3.78 (#peak 775 #SUP 0.96 #QF 0.96)
&rst
ixpk= 775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 194, 195, 196,
igr2=1769,1770,
&end
#
# 115 ARG HG3 144 VAL QG1 4.51 (#peak 776 #SUP 0.85 #QF 0.85)
&rst
ixpk= 776, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1723,1724,1725,
&end
#
# 115 ARG HB2 115 ARG QD 4.08 (#peak 781 #SUP 1.00 #QF 0.35)
&rst
ixpk= 781, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1278,1279,
&end
#
# 115 ARG QD 145 THR HA 4.56 (#peak 782 #SUP 0.90 #QF 0.90)
&rst
ixpk= 782, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1278,1279,
&end
#
# 120 THR QG2 139 ARG QB 3.57 (#peak 790 #SUP 0.96 #QF 0.96)
&rst
ixpk= 790, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1342,1343,1344,
igr2=1629,1630,
&end
#
# 122 LEU QQD 139 ARG HG2 4.65 (#peak 797 #SUP 0.99 #QF 0.99)
&rst
ixpk= 797, nxpk= 0, iat=1377,1632, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, &end
#
# 122 LEU QQD 139 ARG HG3 4.65 (#peak 798 #SUP 0.94 #QF 0.94)
&rst
ixpk= 798, nxpk= 0, iat=1377,1633, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, &end
#
# 120 THR QG2 139 ARG HG2 4.31 (#peak 799 #SUP 0.95 #QF 0.95)
&rst
ixpk= 799, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1342,1343,1344,
&end
#
# 43 VAL QG1 143 ARG HD3 5.31 (#peak 801 #SUP 0.85 #QF 0.76)
&rst
ixpk= 801, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 162, 163, 164,
&end
#
# 43 VAL QG2 143 ARG HD3 5.31 (#peak 801 #SUP 0.85 #QF 0.76)
&rst
ixpk= 801, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 166, 167, 168,
&end
#
# 45 THR QG2 147 ARG HA 3.18 (#peak 813 #SUP 0.91 #QF 0.91)
&rst
ixpk= 813, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 194, 195, 196,
&end
#
# 45 THR QG2 147 ARG QB 3.69 (#peak 817 #SUP 0.97 #QF 0.97)
&rst
ixpk= 817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 194, 195, 196,
igr2=1766,1767,
&end
#
# 147 ARG HA 147 ARG QG 3.65 (#peak 818 #SUP 0.95 #QF 0.95)
&rst
ixpk= 818, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1769,1770,
&end
#
# 148 ARG HA 148 ARG QG 3.73 (#peak 824 #SUP 1.00)
&rst
ixpk= 824, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1793,1794,
&end
#
# 78 LYS HA 78 LYS QG 3.85 (#peak 828 #SUP 1.00)
&rst
ixpk= 828, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 680, 681,
&end
#
# 78 LYS HB2 78 LYS QE 4.22 (#peak 830 #SUP 0.97 #QF 0.97)
&rst
ixpk= 830, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 686, 687,
&end
#
# 78 LYS HB3 78 LYS QE 4.22 (#peak 831 #SUP 0.94 #QF 0.94)
&rst
ixpk= 831, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 686, 687,
&end
#
# 78 LYS QE 81 ALA QB 3.69 (#peak 834 #SUP 0.90 #QF 0.90)
&rst
ixpk= 834, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 686, 687,
igr2= 728, 729, 730,
&end
#
# 78 LYS QG 78 LYS QE 3.71 (#peak 835 #SUP 1.00)
&rst
ixpk= 835, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 680, 681,
igr2= 686, 687,
&end
#
# 131 LYS HA 131 LYS QG 3.63 (#peak 849 #SUP 1.00)
&rst
ixpk= 849, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1497,1498,
&end
#
# 131 LYS QG 131 LYS QE 4.06 (#peak 858 #SUP 0.99 #QF 0.99)
&rst
ixpk= 858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1497,1498,
igr2=1503,1504,
&end
#
# 46 GLU HA 144 VAL QG1 3.27 (#peak 871 #SUP 1.00)
&rst
ixpk= 871, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1723,1724,1725,
&end
#
# 46 GLU QG 115 ARG HG2 4.32 (#peak 880 #SUP 0.97 #QF 0.29)
&rst
ixpk= 880, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 209, 210,
&end
#
# 45 THR QG2 46 GLU QG 5.50 (#peak 881 #SUP 1.00)
&rst
ixpk= 881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 194, 195, 196,
igr2= 209, 210,
&end
#
# 46 GLU QG 113 ALA QB 5.50 (#peak 881 #SUP 1.00)
&rst
ixpk= 881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 209, 210,
igr2=1238,1239,1240,
&end
#
# 46 GLU QG 144 VAL QG1 3.88 (#peak 882 #SUP 1.00)
&rst
ixpk= 882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 209, 210,
igr2=1723,1724,1725,
&end
#
# 46 GLU HA 46 GLU QG 3.85 (#peak 883 #SUP 1.00)
&rst
ixpk= 883, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 209, 210,
&end
#
# 46 GLU QG 146 GLU HA 4.11 (#peak 884 #SUP 0.95 #QF 0.95)
&rst
ixpk= 884, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 209, 210,
&end
#
# 46 GLU QG 114 ARG HA 3.64 (#peak 885 #SUP 0.91 #QF 0.91)
&rst
ixpk= 885, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 209, 210,
&end
#
# 97 VAL QG1 108 MET HA 5.50 (#peak 891 #SUP 0.94 #QF 0.94)
&rst
ixpk= 891, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 982, 983, 984,
&end
#
# 61 GLU HA 61 GLU QG 3.78 (#peak 899 #SUP 0.99 #QF 0.99)
&rst
ixpk= 899, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 406, 407,
&end
#
# 81 ALA QB 84 GLU HA 4.06 (#peak 903 #SUP 0.92 #QF 0.92)
&rst
ixpk= 903, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 728, 729, 730,
&end
#
# 82 PHE HA 84 GLU HA 4.51 (#peak 905 #SUP 0.78 #QF 0.78)
&rst
ixpk= 905, nxpk= 0, iat= 736, 770, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 68 TYR HA 78 LYS HA 3.89 (#peak 906 #SUP 0.98 #QF 0.98)
&rst
ixpk= 906, nxpk= 0, iat= 520, 675, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 84 GLU HA 84 GLU QG 3.65 (#peak 911 #SUP 1.00)
&rst
ixpk= 911, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 775, 776,
&end
#
# 141 GLU HA 141 GLU HG2 4.08 (#peak 921 #SUP 1.00)
&rst
ixpk= 921, nxpk= 0, iat=1661,1666, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 141 GLU HA 141 GLU HG3 4.08 (#peak 922 #SUP 0.97 #QF 0.97)
&rst
ixpk= 922, nxpk= 0, iat=1661,1667, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 115 ARG QD 146 GLU QB 4.19 (#peak 930 #SUP 0.89 #QF 0.89)
&rst
ixpk= 930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1278,1279,
igr2=1751,1752,
&end
#
# 146 GLU HA 146 GLU QG 3.74 (#peak 931 #SUP 1.00)
&rst
ixpk= 931, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1754,1755,
&end
#
# 115 ARG QD 146 GLU QG 4.04 (#peak 932 #SUP 0.97 #QF 0.97)
&rst
ixpk= 932, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1278,1279,
igr2=1754,1755,
&end
#
# 94 ARG HA 111 VAL HB 4.41 (#peak 934 #SUP 0.98 #QF 0.98)
&rst
ixpk= 934, nxpk= 0, iat= 910,1198, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 88 GLN HA 89 PRO HD3 3.44 (#peak 945 #SUP 0.99 #QF 0.99)
&rst
ixpk= 945, nxpk= 0, iat= 832, 849, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 GLN HA 89 PRO HD2 3.44 (#peak 946 #SUP 0.98 #QF 0.98)
&rst
ixpk= 946, nxpk= 0, iat= 832, 848, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 GLN HA 88 GLN QG 3.91 (#peak 947 #SUP 1.00)
&rst
ixpk= 947, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 837, 838,
&end
#
# 88 GLN HB3 89 PRO HD2 4.77 (#peak 953 #SUP 0.87 #QF 0.87)
&rst
ixpk= 953, nxpk= 0, iat= 835, 848, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 88 GLN HB2 89 PRO HD2 4.77 (#peak 954 #SUP 0.98 #QF 0.98)
&rst
ixpk= 954, nxpk= 0, iat= 834, 848, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 133 GLN HA 133 GLN QG 3.67 (#peak 987 #SUP 1.00)
&rst
ixpk= 987, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1529,1530,
&end
#
# 91 GLN HA 91 GLN QG 3.60 (#peak 988 #SUP 1.00)
&rst
ixpk= 988, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 875, 876,
&end
#
# 70 MET HA 76 THR QG2 4.07 (#peak 1007 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1007, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 653, 654, 655,
&end
#
# 117 ASP HB2 142 LEU QD2 4.27 (#peak 1032 #SUP 0.99 #QF 0.87)
&rst
ixpk= 1032, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1687,1688,1689,
&end
#
# 117 ASP HB3 142 LEU QD2 4.27 (#peak 1033 #SUP 0.98 #QF 0.81)
&rst
ixpk= 1033, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1687,1688,1689,
&end
#
# 38 SER QB 39 PRO HA 3.24 (#peak 1072 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1072, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 87, 88,
&end
#
# 38 SER QB 39 PRO HB3 4.37 (#peak 1073 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1073, nxpk= 0, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 87, 88,
&end
#
# 55 SER HA 105 ASP HA 3.81 (#peak 1076 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1076, nxpk= 0, iat= 320,1103, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 71 SER HA 72 PRO HD2 3.43 (#peak 1087 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1087, nxpk= 0, iat= 582, 592, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 71 SER HA 72 PRO HD3 3.66 (#peak 1089 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1089, nxpk= 0, iat= 582, 593, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 63 PHE HA 127 SER HA 3.66 (#peak 1123 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1123, nxpk= 0, iat= 427,1438, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 70 MET HG3 120 THR QG2 4.23 (#peak 1146 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1146, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1342,1343,1344,
&end
#
# 70 MET HG2 120 THR QG2 4.23 (#peak 1147 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1147, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1342,1343,1344,
&end
#
# 70 MET HG2 70 MET QE 4.16 (#peak 1149 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1149, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 574, 575, 576,
&end
#
# 97 VAL QG1 108 MET QE 4.15 (#peak 1151 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 982, 983, 984,
igr2=1161,1162,1163,
&end
#
# 65 LEU HG 108 MET QE 3.98 (#peak 1152 #SUP 0.92 #QF 0.77)
&rst
ixpk= 1152, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1161,1162,1163,
&end
#
# 108 MET HG2 108 MET QE 3.87 (#peak 1154 #SUP 1.00)
&rst
ixpk= 1154, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1161,1162,1163,
&end
#
# 65 LEU QD1 108 MET QE 4.09 (#peak 1155 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 470, 471, 472,
igr2=1161,1162,1163,
&end
#
# 106 PHE HB2 108 MET QE 4.46 (#peak 1158 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1158, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1161,1162,1163,
&end
#
# 54 CYS HB2 108 MET QE 4.31 (#peak 1159 #SUP 0.92 #QF 0.77)
&rst
ixpk= 1159, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1161,1162,1163,
&end
#
# 108 MET HG3 108 MET QE 3.87 (#peak 1161 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1161, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1161,1162,1163,
&end
#
# 97 VAL QG1 108 MET HG2 5.72 (#peak 1166 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1166, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 982, 983, 984,
&end
#
# 70 MET HG3 70 MET QE 4.16 (#peak 1167 #SUP 1.00)
&rst
ixpk= 1167, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 574, 575, 576,
&end
#
# 70 MET QE 74 ASN HA 3.69 (#peak 1168 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1168, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 574, 575, 576,
&end
#
# 70 MET HA 70 MET QE 4.06 (#peak 1169 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1169, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 574, 575, 576,
&end
#
# 70 MET QE 76 THR QG2 3.65 (#peak 1171 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 574, 575, 576,
igr2= 653, 654, 655,
&end
#
# 70 MET QE 122 LEU QQD 3.96 (#peak 1172 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1172, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 574, 575, 576,
&end
#
# 37 PHE QD 108 MET QE 4.94 (#peak 1173 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 71, 79,
igr2=1161,1162,1163,
&end
#
# 67 TRP HA 123 CYS HA 4.38 (#peak 1174 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1174, nxpk= 0, iat= 496,1392, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 47 GLY HA2 112 ARG HA 4.28 (#peak 1176 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1176, nxpk= 0, iat= 219,1212, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 124 GLY HA2 136 GLU HA 4.33 (#peak 1184 #SUP 0.74 #QF 0.74)
&rst
ixpk= 1184, nxpk= 0, iat=1402,1582, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 68 TYR HA 79 LEU HG 4.27 (#peak 1188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1188, nxpk= 0, iat= 520, 702, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 68 TYR HB2 122 LEU HG 4.57 (#peak 1193 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1193, nxpk= 0, iat= 522,1378, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 68 TYR HB2 122 LEU QQD 4.26 (#peak 1194 #SUP 1.00)
&rst
ixpk= 1194, nxpk= 0, iat= 522,1377, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 68 TYR HB3 122 LEU QQD 4.26 (#peak 1196 #SUP 1.00)
&rst
ixpk= 1196, nxpk= 0, iat= 523,1377, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 121 TYR HA 121 TYR QD 4.29 (#peak 1199 #SUP 0.98 #QF 0.95)
&rst
ixpk= 1199, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1358,1367,
&end
#
# 52 PHE HA 52 PHE QD 3.96 (#peak 1220 #SUP 1.00)
&rst
ixpk= 1220, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 282, 290,
&end
#
# 56 PHE HA 56 PHE QD 4.07 (#peak 1224 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1224, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 337, 345,
&end
#
# 95 PHE HA 110 VAL HA 4.02 (#peak 1239 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1239, nxpk= 0, iat= 934,1180, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 99 GLN HA 106 PHE HA 3.91 (#peak 1247 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1247, nxpk= 0, iat=1008,1115, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 106 PHE HA 106 PHE QD 4.27 (#peak 1248 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1248, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1121,1129,
&end
#
# 97 VAL QG2 108 MET HA 5.50 (#peak 1261 #SUP 0.99 #QF 0.79)
&rst
ixpk= 1261, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 986, 987, 988,
&end
#
# 43 VAL HA 44 VAL QG1 5.22 (#peak 1266 #SUP 0.93 #QF 0.55)
&rst
ixpk= 1266, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 178, 179, 180,
&end
#
# 44 VAL HB 142 LEU QD1 5.01 (#peak 1273 #SUP 0.99 #QF 0.83)
&rst
ixpk= 1273, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1683,1684,1685,
&end
#
# 44 VAL HB 144 VAL QG2 5.40 (#peak 1273 #SUP 0.99 #QF 0.83)
&rst
ixpk= 1273, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1727,1728,1729,
&end
#
# 42 LEU HG 44 VAL QG2 4.40 (#peak 1275 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1275, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 182, 183, 184,
&end
#
# 44 VAL QG2 45 THR HA 4.63 (#peak 1277 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1277, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 182, 183, 184,
&end
#
# 44 VAL QG1 144 VAL HA 4.89 (#peak 1279 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1279, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 178, 179, 180,
&end
#
# 64 VAL HB 126 ILE QD1 4.89 (#peak 1280 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1280, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1430,1431,1432,
&end
#
# 64 VAL QQG 65 LEU HA 4.59 (#peak 1281 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1281, nxpk= 0, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 110 VAL HB 142 LEU QD2 4.40 (#peak 1286 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1286, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1687,1688,1689,
&end
#
# 95 PHE QD 110 VAL QG1 4.57 (#peak 1288 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 940, 948,
igr2=1184,1185,1186,
&end
#
# 144 VAL HA 145 THR QG2 4.52 (#peak 1291 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1291, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1739,1740,1741,
&end
#
# 45 THR HA 144 VAL HA 4.75 (#peak 1292 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1292, nxpk= 0, iat= 190,1719, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 144 VAL HA 145 THR HA 5.27 (#peak 1292 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1292, nxpk= 0, iat=1719,1735, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 50 ALA QB 144 VAL QG2 4.43 (#peak 1293 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 254, 255, 256,
igr2=1727,1728,1729,
&end
#
# 115 ARG HG2 144 VAL QG1 4.51 (#peak 1295 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1295, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1723,1724,1725,
&end
#
# 115 ARG QD 144 VAL QG1 4.36 (#peak 1296 #SUP 1.00)
&rst
ixpk= 1296, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1278,1279,
igr2=1723,1724,1725,
&end
#
# 144 VAL QG1 146 GLU HA 4.67 (#peak 1297 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1297, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1723,1724,1725,
&end
#
# 45 THR HA 145 THR QG2 4.34 (#peak 1302 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1302, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1739,1740,1741,
&end
#
# 45 THR HB 147 ARG HA 5.14 (#peak 1305 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1305, nxpk= 0, iat= 192,1764, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 45 THR QG2 46 GLU HA 4.69 (#peak 1306 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1306, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 194, 195, 196,
&end
#
# 51 THR QG2 109 SER HB3 5.09 (#peak 1308 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1308, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 266, 267, 268,
&end
#
# 120 THR HA 121 TYR QD 4.47 (#peak 1310 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1310, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1358,1367,
&end
#
# 120 THR HB 121 TYR HA 4.49 (#peak 1312 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1312, nxpk= 0, iat=1340,1352, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 70 MET QE 120 THR HB 5.12 (#peak 1313 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1313, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 574, 575, 576,
&end
#
# 68 TYR HB3 76 THR HB 4.63 (#peak 1317 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1317, nxpk= 0, iat= 523, 651, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 68 TYR HB2 76 THR HB 4.63 (#peak 1318 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1318, nxpk= 0, iat= 522, 651, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 76 THR HB 122 LEU QQD 4.55 (#peak 1319 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1319, nxpk= 0, iat= 651,1377, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 70 MET QE 76 THR HA 4.27 (#peak 1320 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1320, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 574, 575, 576,
&end
#
# 68 TYR HB3 76 THR QG2 4.57 (#peak 1321 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1321, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 653, 654, 655,
&end
#
# 68 TYR HB2 76 THR QG2 4.57 (#peak 1322 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1322, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 653, 654, 655,
&end
#
# 68 TYR QD 76 THR QG2 4.57 (#peak 1324 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 526, 535,
igr2= 653, 654, 655,
&end
#
# 120 THR QG2 139 ARG HA 4.55 (#peak 1327 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1327, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1342,1343,1344,
&end
#
# 120 THR QG2 139 ARG HD2 5.21 (#peak 1328 #SUP 0.94 #QF 0.48)
&rst
ixpk= 1328, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1342,1343,1344,
&end
#
# 120 THR QG2 139 ARG HD3 5.21 (#peak 1328 #SUP 0.94 #QF 0.48)
&rst
ixpk= 1328, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1342,1343,1344,
&end
#
# 144 VAL QG1 145 THR HA 4.59 (#peak 1331 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1331, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1723,1724,1725,
&end
#
# 43 VAL HA 145 THR QG2 4.48 (#peak 1332 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1332, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1739,1740,1741,
&end
#
# 64 VAL HB 126 ILE HB 4.92 (#peak 1339 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1339, nxpk= 0, iat= 449,1421, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 126 ILE QG2 134 ILE HA 5.08 (#peak 1347 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1347, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1423,1424,1425,
&end
#
# 124 GLY HA2 134 ILE QG2 4.57 (#peak 1354 #SUP 0.66 #QF 0.66)
&rst
ixpk= 1354, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1545,1546,1547,
&end
#
# 124 GLY HA3 134 ILE QG2 4.51 (#peak 1355 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1355, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1545,1546,1547,
&end
#
# 134 ILE QG2 136 GLU HG2 4.42 (#peak 1356 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1356, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1545,1546,1547,
&end
#
# 68 TYR QE 134 ILE QD1 4.60 (#peak 1357 #SUP 0.38 #QF 0.38)
&rst
ixpk= 1357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 528, 533,
igr2=1552,1553,1554,
&end
#
# 40 ALA QB 41 LEU HA 4.91 (#peak 1359 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1359, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 112, 113, 114,
&end
#
# 41 LEU HA 42 LEU HB3 5.36 (#peak 1359 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1359, nxpk= 0, iat= 120, 142, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 52 PHE QE 142 LEU HG 4.93 (#peak 1361 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1361, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 284, 288,
&end
#
# 118 SER HA 142 LEU HG 4.41 (#peak 1363 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1363, nxpk= 0, iat=1320,1681, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 42 LEU HA 42 LEU QD2 4.63 (#peak 1367 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1367, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 150, 151, 152,
&end
#
# 42 LEU HB3 142 LEU HA 4.48 (#peak 1370 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1370, nxpk= 0, iat= 142,1676, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 42 LEU HB2 142 LEU QD1 4.61 (#peak 1372 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1372, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1683,1684,1685,
&end
#
# 39 PRO QD 42 LEU HB2 4.49 (#peak 1373 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1373, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 95, 96,
&end
#
# 42 LEU HB2 142 LEU HA 5.21 (#peak 1374 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1374, nxpk= 0, iat= 141,1676, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 42 LEU HB2 52 PHE QE 4.64 (#peak 1375 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1375, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 284, 288,
&end
#
# 39 PRO QD 42 LEU QD2 4.60 (#peak 1379 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 95, 96,
igr2= 150, 151, 152,
&end
#
# 39 PRO QD 42 LEU QD1 4.60 (#peak 1381 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 95, 96,
igr2= 146, 147, 148,
&end
#
# 63 PHE QD 65 LEU HB2 4.56 (#peak 1385 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1385, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 433, 441,
&end
#
# 63 PHE QE 65 LEU HB2 4.55 (#peak 1386 #SUP 0.73 #QF 0.73)
&rst
ixpk= 1386, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 435, 439,
&end
#
# 56 PHE QE 65 LEU QD1 4.59 (#peak 1394 #SUP 0.55 #QF 0.55)
&rst
ixpk= 1394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 339, 343,
igr2= 470, 471, 472,
&end
#
# 79 LEU HA 79 LEU QD1 4.62 (#peak 1402 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1402, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 704, 705, 706,
&end
#
# 79 LEU HA 95 PHE QD 5.07 (#peak 1405 #SUP 0.67 #QF 0.67)
&rst
ixpk= 1405, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 940, 948,
&end
#
# 79 LEU HB2 80 ALA QB 4.73 (#peak 1408 #SUP 0.71 #QF 0.71)
&rst
ixpk= 1408, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 718, 719, 720,
&end
#
# 69 ARG HB2 79 LEU QD1 4.49 (#peak 1415 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1415, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 704, 705, 706,
&end
#
# 69 ARG HD2 79 LEU QD1 5.14 (#peak 1417 #SUP 0.93 #QF 0.40)
&rst
ixpk= 1417, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 704, 705, 706,
&end
#
# 100 LEU QB 105 ASP HB2 4.53 (#peak 1422 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1422, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1027,1028,
&end
#
# 100 LEU HG 105 ASP HB3 4.57 (#peak 1423 #SUP 0.86 #QF 0.86)
&rst
ixpk= 1423, nxpk= 0, iat=1030,1106, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 99 GLN HA 100 LEU HG 5.04 (#peak 1424 #SUP 0.86 #QF 0.42)
&rst
ixpk= 1424, nxpk= 0, iat=1008,1030, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 100 LEU HG 106 PHE HA 4.54 (#peak 1426 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1426, nxpk= 0, iat=1030,1115, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 100 LEU QD1 101 PRO QD 4.27 (#peak 1428 #SUP 1.00)
&rst
ixpk= 1428, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1032,1033,1034,
igr2=1043,1044,
&end
#
# 100 LEU HA 100 LEU QD1 4.34 (#peak 1429 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1429, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1032,1033,1034,
&end
#
# 100 LEU QD1 106 PHE HA 4.58 (#peak 1430 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1430, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1032,1033,1034,
&end
#
# 100 LEU QD2 105 ASP HB3 4.63 (#peak 1433 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1433, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1036,1037,1038,
&end
#
# 100 LEU QD2 106 PHE HA 4.58 (#peak 1437 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1437, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1036,1037,1038,
&end
#
# 68 TYR QD 122 LEU HA 5.50 (#peak 1440 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1440, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 526, 535,
&end
#
# 121 TYR HA 122 LEU QQD 4.69 (#peak 1442 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1442, nxpk= 0, iat=1352,1377, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 122 LEU HA 122 LEU QQD 4.68 (#peak 1443 #SUP 0.96 #QF 0.55)
&rst
ixpk= 1443, nxpk= 0, iat=1373,1377, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 69 ARG HA 122 LEU QQD 4.80 (#peak 1444 #SUP 0.67 #QF 0.45)
&rst
ixpk= 1444, nxpk= 0, iat= 541,1377, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 SER HA 40 ALA HA 4.59 (#peak 1449 #SUP 0.61 #QF 0.34)
&rst
ixpk= 1449, nxpk= 0, iat= 85, 110, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 142 LEU HA 142 LEU QD2 4.60 (#peak 1455 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1455, nxpk= 0, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1687,1688,1689,
&end
#
# 40 ALA QB 140 ALA HA 4.34 (#peak 1456 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1456, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 112, 113, 114,
&end
#
# 80 ALA QB 81 ALA HA 4.65 (#peak 1458 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1458, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 718, 719, 720,
&end
#
# 80 ALA QB 95 PHE HA 5.24 (#peak 1458 #SUP 1.00 #QF 0.99)
&rst
ixpk= 1458, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 718, 719, 720,
&end
#
# 80 ALA QB 81 ALA QB 4.55 (#peak 1460 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 718, 719, 720,
igr2= 728, 729, 730,
&end
#
# 79 LEU HB3 80 ALA QB 4.64 (#peak 1461 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1461, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 718, 719, 720,
&end
#
# 113 ALA HA 142 LEU QD2 5.43 (#peak 1465 #SUP 0.96 #QF 0.40)
&rst
ixpk= 1465, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1687,1688,1689,
&end
#
# 113 ALA HA 144 VAL QG2 5.50 (#peak 1465 #SUP 0.96 #QF 0.40)
&rst
ixpk= 1465, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1727,1728,1729,
&end
#
# 113 ALA QB 117 ASP HB3 4.54 (#peak 1467 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1467, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1238,1239,1240,
&end
#
# 113 ALA QB 117 ASP HB2 4.54 (#peak 1468 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1468, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1238,1239,1240,
&end
#
# 112 ARG QG 113 ALA QB 5.50 (#peak 1470 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1217,1218,
igr2=1238,1239,1240,
&end
#
# 56 PHE QE 125 ALA QB 4.43 (#peak 1472 #SUP 0.43 #QF 0.43)
&rst
ixpk= 1472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 339, 343,
igr2=1411,1412,1413,
&end
#
# 63 PHE QD 125 ALA QB 4.64 (#peak 1473 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 433, 441,
igr2=1411,1412,1413,
&end
#
# 127 SER HB2 129 ALA QB 4.51 (#peak 1475 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1475, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1470,1471,1472,
&end
#
# 126 ILE HA 132 ALA QB 4.66 (#peak 1478 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1478, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1516,1517,1518,
&end
#
# 118 SER HB3 143 ARG HA 4.45 (#peak 1487 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1487, nxpk= 0, iat=1323,1695, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 38 SER HA 39 PRO HB3 5.07 (#peak 1488 #SUP 0.97 #QF 0.95)
&rst
ixpk= 1488, nxpk= 0, iat= 85, 102, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 38 SER QB 39 PRO HB2 4.74 (#peak 1489 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1489, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 87, 88,
&end
#
# 100 LEU QD2 101 PRO QD 4.27 (#peak 1502 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1036,1037,1038,
igr2=1043,1044,
&end
#
# 100 LEU HG 101 PRO QD 4.57 (#peak 1504 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1504, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1043,1044,
&end
#
# 69 ARG HA 121 TYR HA 3.66 (#peak 1508 #SUP 0.78 #QF 0.78)
&rst
ixpk= 1508, nxpk= 0, iat= 541,1352, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 69 ARG HB2 79 LEU QD2 4.49 (#peak 1516 #SUP 0.82 #QF 0.82)
&rst
ixpk= 1516, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 708, 709, 710,
&end
#
# 69 ARG HD3 79 LEU QD1 5.14 (#peak 1525 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1525, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 704, 705, 706,
&end
#
# 69 ARG HD3 121 TYR QE 4.69 (#peak 1528 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1528, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1360,1365,
&end
#
# 84 GLU QG 86 ARG QD 4.81 (#peak 1530 #SUP 0.77 #QF 0.77)
&rst
ixpk= 1530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 775, 776,
igr2= 805, 806,
&end
#
# 46 GLU QG 115 ARG HG3 4.32 (#peak 1533 #SUP 0.59 #QF 0.59)
&rst
ixpk= 1533, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 209, 210,
&end
#
# 84 GLU QG 86 ARG QG 4.62 (#peak 1534 #SUP 0.51 #QF 0.51)
&rst
ixpk= 1534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 775, 776,
igr2= 802, 803,
&end
#
# 68 TYR QD 122 LEU HG 4.53 (#peak 1545 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1545, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 526, 535,
&end
#
# 112 ARG HA 113 ALA HA 4.98 (#peak 1547 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1547, nxpk= 0, iat=1212,1236, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 114 ARG HA 144 VAL QG1 4.28 (#peak 1550 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1550, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1723,1724,1725,
&end
#
# 115 ARG HA 144 VAL QG1 3.60 (#peak 1555 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1555, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1723,1724,1725,
&end
#
# 143 ARG HA 143 ARG QG 3.78 (#peak 1559 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1559, nxpk= 0, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1700,1701,
&end
#
# 147 ARG HA 147 ARG HD3 4.74 (#peak 1563 #SUP 0.87 #QF 0.87)
&rst
ixpk= 1563, nxpk= 0, iat=1764,1773, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 122 LEU QQD 139 ARG HA 4.72 (#peak 1564 #SUP 0.85 #QF 0.85)
&rst
ixpk= 1564, nxpk= 0, iat=1377,1627, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 147 ARG HA 147 ARG HD2 4.74 (#peak 1566 #SUP 0.80 #QF 0.80)
&rst
ixpk= 1566, nxpk= 0, iat=1764,1772, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 46 GLU QG 147 ARG QB 4.75 (#peak 1567 #SUP 0.61 #QF 0.61)
&rst
ixpk= 1567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 209, 210,
igr2=1766,1767,
&end
#
# 143 ARG QG 145 THR HA 4.80 (#peak 1568 #SUP 0.65 #QF 0.65)
&rst
ixpk= 1568, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1700,1701,
&end
#
# 64 VAL QQG 78 LYS QE 4.59 (#peak 1571 #SUP 0.70 #QF 0.70)
&rst
ixpk= 1571, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 686, 687,
&end
#
# 46 GLU HA 144 VAL QG2 4.58 (#peak 1578 #SUP 1.00)
&rst
ixpk= 1578, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1727,1728,1729,
&end
#
# 45 THR HA 46 GLU HA 4.92 (#peak 1579 #SUP 0.98 #QF 0.87)
&rst
ixpk= 1579, nxpk= 0, iat= 190, 204, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 46 GLU QG 144 VAL QG2 4.63 (#peak 1582 #SUP 1.00)
&rst
ixpk= 1582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 209, 210,
igr2=1727,1728,1729,
&end
#
# 46 GLU QG 115 ARG QD 4.47 (#peak 1583 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 209, 210,
igr2=1278,1279,
&end
#
# 82 PHE QD 84 GLU QG 4.95 (#peak 1584 #SUP 0.63 #QF 0.63)
&rst
ixpk= 1584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 742, 750,
igr2= 775, 776,
&end
#
# 94 ARG HA 111 VAL QG2 4.74 (#peak 1590 #SUP 0.92 #QF 0.92)
&rst
ixpk= 1590, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1204,1205,1206,
&end
#
# 88 GLN QG 89 PRO HD2 4.86 (#peak 1594 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1594, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 837, 838,
&end
#
# 88 GLN HB3 89 PRO HD3 4.77 (#peak 1596 #SUP 1.00)
&rst
ixpk= 1596, nxpk= 0, iat= 835, 849, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 88 GLN HB2 89 PRO HD3 4.77 (#peak 1597 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1597, nxpk= 0, iat= 834, 849, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 126 ILE QD1 133 GLN HA 4.29 (#peak 1599 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1599, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1430,1431,1432,
&end
#
# 70 MET HA 76 THR HA 3.99 (#peak 1609 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1609, nxpk= 0, iat= 565, 649, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 117 ASP HA 142 LEU QD2 4.67 (#peak 1614 #SUP 0.80 #QF 0.74)
&rst
ixpk= 1614, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1687,1688,1689,
&end
#
# 117 ASP HA 144 VAL QG2 5.26 (#peak 1614 #SUP 0.80 #QF 0.74)
&rst
ixpk= 1614, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1727,1728,1729,
&end
#
# 74 ASN HA 75 GLN HA 4.50 (#peak 1616 #SUP 0.60 #QF 0.60)
&rst
ixpk= 1616, nxpk= 0, iat= 618, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 THR QG2 109 SER HA 4.29 (#peak 1621 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1621, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 266, 267, 268,
&end
#
# 51 THR QG2 109 SER HB2 5.09 (#peak 1623 #SUP 0.92 #QF 0.85)
&rst
ixpk= 1623, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 266, 267, 268,
&end
#
# 118 SER HA 143 ARG HA 4.22 (#peak 1624 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1624, nxpk= 0, iat=1320,1695, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 118 SER HA 121 TYR QD 5.50 (#peak 1625 #SUP 0.49 #QF 0.49)
&rst
ixpk= 1625, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1358,1367,
&end
#
# 97 VAL QG2 108 MET HG3 5.72 (#peak 1632 #SUP 0.91 #QF 0.91)
&rst
ixpk= 1632, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 986, 987, 988,
&end
#
# 106 PHE HB3 108 MET QE 4.46 (#peak 1633 #SUP 0.93 #QF 0.93)
&rst
ixpk= 1633, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1161,1162,1163,
&end
#
# 54 CYS HB3 108 MET QE 4.31 (#peak 1634 #SUP 0.75 #QF 0.75)
&rst
ixpk= 1634, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1161,1162,1163,
&end
#
# 97 VAL HA 108 MET QE 5.50 (#peak 1635 #SUP 0.77 #QF 0.62)
&rst
ixpk= 1635, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1161,1162,1163,
&end
#
# 107 HIS HA 108 MET QE 5.50 (#peak 1635 #SUP 0.77 #QF 0.62)
&rst
ixpk= 1635, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1161,1162,1163,
&end
#
# 67 TRP HA 108 MET QE 4.60 (#peak 1636 #SUP 0.44 #QF 0.44)
&rst
ixpk= 1636, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1161,1162,1163,
&end
#
# 108 MET HA 108 MET QE 4.65 (#peak 1637 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1637, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1161,1162,1163,
&end
#
# 56 PHE QD 108 MET QE 5.50 (#peak 1638 #SUP 0.72 #QF 0.72)
&rst
ixpk= 1638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 337, 345,
igr2=1161,1162,1163,
&end
#
# 97 VAL QG2 108 MET HG2 5.72 (#peak 1639 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1639, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 986, 987, 988,
&end
#
# 70 MET QE 120 THR QG2 4.97 (#peak 1642 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 574, 575, 576,
igr2=1342,1343,1344,
&end
#
# 70 MET QE 76 THR HB 4.95 (#peak 1644 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1644, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 574, 575, 576,
&end
#
# 124 GLY HA3 136 GLU HA 4.47 (#peak 1647 #SUP 0.64 #QF 0.64)
&rst
ixpk= 1647, nxpk= 0, iat=1403,1582, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 124 GLY HA3 134 ILE QD1 4.86 (#peak 1650 #SUP 0.84 #QF 0.84)
&rst
ixpk= 1650, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1552,1553,1554,
&end
#
# 68 TYR HA 69 ARG HA 4.58 (#peak 1651 #SUP 0.94 #QF 0.94)
&rst
ixpk= 1651, nxpk= 0, iat= 520, 541, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 68 TYR HB3 122 LEU HG 4.57 (#peak 1654 #SUP 0.99 #QF 0.99)
&rst
ixpk= 1654, nxpk= 0, iat= 523,1378, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 67 TRP HB2 80 ALA QB 4.64 (#peak 1658 #SUP 0.67 #QF 0.58)
&rst
ixpk= 1658, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 718, 719, 720,
&end
#
# 39 PRO QD 52 PHE HA 4.52 (#peak 1671 #SUP 0.83 #QF 0.83)
&rst
ixpk= 1671, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 95, 96,
&end
#
# 35 PRO HA 56 PHE HA 4.58 (#peak 1673 #SUP 0.81 #QF 0.81)
&rst
ixpk= 1673, nxpk= 0, iat= 45, 331, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 82 PHE HA 83 PRO HA 3.37 (#peak 1681 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1681, nxpk= 0, iat= 736, 764, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 50 ALA QB 51 THR HA 4.59 (#peak 1701 #SUP 0.89 #QF 0.89)
&rst
ixpk= 1701, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 254, 255, 256,
&end
#
# 50 ALA QB 109 SER HA 4.63 (#peak 1702 #SUP 0.95 #QF 0.95)
&rst
ixpk= 1702, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 254, 255, 256,
&end
#
# 50 ALA QB 52 PHE QE 4.65 (#peak 1703 #SUP 0.96 #QF 0.96)
&rst
ixpk= 1703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 254, 255, 256,
igr2= 284, 288,
&end
#
# 65 LEU HB3 97 VAL QG1 5.50 (#peak 1705 #SUP 1.00 #QF 0.92)
&rst
ixpk= 1705, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 982, 983, 984,
&end
#
# 50 ALA QB 51 THR QG2 5.50 (#peak 1706 #SUP 0.95 #QF 0.88)
&rst
ixpk= 1706, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 254, 255, 256,
igr2= 266, 267, 268,
&end
#
# 65 LEU HB3 97 VAL QG2 5.50 (#peak 1708 #SUP 0.90 #QF 0.90)
&rst
ixpk= 1708, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 986, 987, 988,
&end
#
# 122 LEU QQD 136 GLU HG2 4.41 (#peak 1718 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1718, nxpk= 0, iat=1377,1587, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, &end
#
# 122 LEU QQD 136 GLU HG3 4.41 (#peak 1720 #SUP 0.97 #QF 0.97)
&rst
ixpk= 1720, nxpk= 0, iat=1377,1588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, &end
#
# 37 PHE HA 37 PHE QD 3.78 (#peak 3 #SUP 1.00)
&rst
ixpk= 3, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 71, 79,
&end
#
# 37 PHE HA 54 CYS HA 3.77 (#peak 5 #SUP 0.95 #QF 0.95)
&rst
ixpk= 5, nxpk= 0, iat= 65, 310, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 68 TYR QD 78 LYS HA 3.76 (#peak 16 #SUP 0.93 #QF 0.93)
&rst
ixpk= 16, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 526, 535,
&end
#
# 68 TYR HA 68 TYR QD 3.94 (#peak 17 #SUP 0.95 #QF 0.95)
&rst
ixpk= 17, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 526, 535,
&end
#
# 82 PHE HA 82 PHE QD 3.88 (#peak 18 #SUP 0.96 #QF 0.96)
&rst
ixpk= 18, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 742, 750,
&end
#
# 79 LEU QD1 121 TYR QD 4.63 (#peak 19 #SUP 0.92 #QF 0.92)
&rst
ixpk= 19, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 704, 705, 706,
igr2=1358,1367,
&end
#
# 121 TYR QD 142 LEU QD2 4.53 (#peak 23 #SUP 0.98 #QF 0.98)
&rst
ixpk= 23, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1358,1367,
igr2=1687,1688,1689,
&end
#
# 121 TYR QE 142 LEU QD2 3.70 (#peak 24 #SUP 0.98 #QF 0.98)
&rst
ixpk= 24, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1360,1365,
igr2=1687,1688,1689,
&end
#
# 69 ARG HG3 121 TYR QD 4.18 (#peak 25 #SUP 0.95 #QF 0.27)
&rst
ixpk= 25, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1358,1367,
&end
#
# 69 ARG HG3 121 TYR QE 4.06 (#peak 26 #SUP 0.99 #QF 0.67)
&rst
ixpk= 26, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1360,1365,
&end
#
# 121 TYR QE 142 LEU HB3 4.20 (#peak 27 #SUP 0.99 #QF 0.99)
&rst
ixpk= 27, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1360,1365,
&end
#
# 121 TYR QE 142 LEU HB2 4.20 (#peak 28 #SUP 0.97 #QF 0.97)
&rst
ixpk= 28, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1360,1365,
&end
#
# 52 PHE QE 142 LEU HB2 4.25 (#peak 34 #SUP 0.96 #QF 0.96)
&rst
ixpk= 34, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 284, 288,
&end
#
# 42 LEU HB3 52 PHE QD 5.01 (#peak 35 #SUP 0.97 #QF 0.91)
&rst
ixpk= 35, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 282, 290,
&end
#
# 65 LEU HB3 106 PHE QD 5.50 (#peak 35 #SUP 0.97 #QF 0.91)
&rst
ixpk= 35, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1121,1129,
&end
#
# 52 PHE QD 140 ALA QB 4.39 (#peak 36 #SUP 0.98 #QF 0.98)
&rst
ixpk= 36, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 282, 290,
igr2=1653,1654,1655,
&end
#
# 68 TYR QE 124 GLY HA3 3.96 (#peak 41 #SUP 0.79 #QF 0.79)
&rst
ixpk= 41, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 528, 533,
&end
#
# 39 PRO QD 52 PHE QD 4.08 (#peak 42 #SUP 0.47 #QF 0.47)
&rst
ixpk= 42, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 95, 96,
igr2= 282, 290,
&end
#
# 56 PHE QE 65 LEU QD2 4.59 (#peak 48 #SUP 0.99 #QF 0.82)
&rst
ixpk= 48, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 339, 343,
igr2= 474, 475, 476,
&end
#
# 63 PHE QE 125 ALA QB 5.50 (#peak 49 #SUP 0.92 #QF 0.82)
&rst
ixpk= 49, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 435, 439,
igr2=1411,1412,1413,
&end
#
# 68 TYR QE 78 LYS QG 4.18 (#peak 50 #SUP 0.93 #QF 0.93)
&rst
ixpk= 50, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 528, 533,
igr2= 680, 681,
&end
#
# 68 TYR QD 122 LEU QQD 3.97 (#peak 52 #SUP 0.98 #QF 0.98)
&rst
ixpk= 52, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 526, 535,
&end
#
# 42 LEU HB3 52 PHE QE 3.63 (#peak 55 #SUP 1.00 #QF 0.97)
&rst
ixpk= 55, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 284, 288,
&end
#
# 52 PHE QE 142 LEU HB3 4.25 (#peak 55 #SUP 1.00 #QF 0.97)
&rst
ixpk= 55, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 284, 288,
&end
#
# 52 PHE QE 140 ALA QB 3.76 (#peak 56 #SUP 0.99 #QF 0.99)
&rst
ixpk= 56, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 284, 288,
igr2=1653,1654,1655,
&end
#
# 37 PHE QD 140 ALA QB 3.59 (#peak 57 #SUP 0.94 #QF 0.94)
&rst
ixpk= 57, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 71, 79,
igr2=1653,1654,1655,
&end
#
# 99 GLN HA 106 PHE QD 4.28 (#peak 72 #SUP 0.90 #QF 0.29)
&rst
ixpk= 72, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1121,1129,
&end
#
# 37 PHE QD 54 CYS HB3 4.15 (#peak 73 #SUP 0.98 #QF 0.98)
&rst
ixpk= 73, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 71, 79,
&end
#
# 82 PHE QD 83 PRO HA 4.03 (#peak 75 #SUP 0.95 #QF 0.95)
&rst
ixpk= 75, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 742, 750,
&end
#
# 69 ARG HA 121 TYR QD 4.21 (#peak 78 #SUP 0.95 #QF 0.42)
&rst
ixpk= 78, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1358,1367,
&end
#
# 95 PHE QD 110 VAL HA 4.13 (#peak 79 #SUP 0.95 #QF 0.95)
&rst
ixpk= 79, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 940, 948,
&end
#
# 95 PHE HA 95 PHE QD 3.87 (#peak 82 #SUP 0.99 #QF 0.99)
&rst
ixpk= 82, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 940, 948,
&end
#
# 52 PHE QE 142 LEU HA 3.94 (#peak 83 #SUP 0.99 #QF 0.99)
&rst
ixpk= 83, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 284, 288,
&end
#
# 37 PHE QD 54 CYS HA 3.73 (#peak 87 #SUP 0.96 #QF 0.96)
&rst
ixpk= 87, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 71, 79,
&end
#
# 63 PHE QD 63 PHE HZ 4.23 (#peak 93 #SUP 0.88 #QF 0.88)
&rst
ixpk= 93, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 433, 441,
&end
#
# 69 ARG HD2 121 TYR QE 4.69 (#peak 99 #SUP 0.98 #QF 0.98)
&rst
ixpk= 99, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1360,1365,
&end
#
# 37 PHE QD 54 CYS HB2 4.15 (#peak 102 #SUP 0.55 #QF 0.55)
&rst
ixpk= 102, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 71, 79,
&end
#
# 35 PRO QB 36 THR H 4.03 (#peak 11)
&rst
ixpk= 11, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 42, 43,
&end
#
# 35 PRO QB 56 PHE QB 4.49 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 42, 43,
igr2= 333, 334,
&end
#
# 36 THR H 55 SER QB 4.93 (#peak 13)
&rst
ixpk= 13, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 322, 323,
&end
#
# 37 PHE H 37 PHE QB 3.59 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 67, 68,
&end
#
# 37 PHE QB 140 ALA QB 4.68 (#peak 1667)
&rst
ixpk= 1667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 67, 68,
igr2=1653,1654,1655,
&end
#
# 37 PHE QD 54 CYS QB 3.60 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 71, 79,
igr2= 312, 313,
&end
#
# 39 PRO QG 41 LEU H 4.14 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 98, 99,
&end
#
# 39 PRO QG 42 LEU HA 4.34 (#peak 1368)
&rst
ixpk= 1368, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 98, 99,
&end
#
# 39 PRO QG 42 LEU HB2 4.50 (#peak 1495)
&rst
ixpk= 1495, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 98, 99,
&end
#
# 39 PRO QG 42 LEU QQD 3.58 (#peak 350)
&rst
ixpk= 350, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 98, 99,
&end
#
# 40 ALA QB 141 GLU QG 4.69 (#peak 1587)
&rst
ixpk= 1587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 112, 113, 114,
igr2=1666,1667,
&end
#
# 41 LEU H 41 LEU QB 3.01 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 122, 123,
&end
#
# 41 LEU H 41 LEU QQD 4.58 (#peak 54)
&rst
ixpk= 54, nxpk= 0, iat= 118, 124, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 41 LEU HA 41 LEU QQD 3.23 (#peak 284)
&rst
ixpk= 284, nxpk= 0, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 41 LEU HA 141 GLU QG 4.18 (#peak 288)
&rst
ixpk= 288, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1666,1667,
&end
#
# 41 LEU QQD 42 LEU H 3.14 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= 124, 137, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 41 LEU QQD 43 VAL HA 4.95 (#peak 1266)
&rst
ixpk= 1266, nxpk= 0, iat= 124, 158, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 41 LEU QQD 141 GLU H 4.29 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= 124,1659, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 41 LEU QQD 141 GLU QB 3.59 (#peak 920)
&rst
ixpk= 920, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1663,1664,
&end
#
# 41 LEU QQD 141 GLU QG 3.69 (#peak 925)
&rst
ixpk= 925, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1666,1667,
&end
#
# 41 LEU QQD 143 ARG QB 3.81 (#peak 309)
&rst
ixpk= 309, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1697,1698,
&end
#
# 41 LEU QQD 143 ARG QG 4.19 (#peak 826)
&rst
ixpk= 826, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1700,1701,
&end
#
# 41 LEU QQD 143 ARG QD 3.75 (#peak 802)
&rst
ixpk= 802, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1703,1704,
&end
#
# 42 LEU H 42 LEU QQD 4.61 (#peak 879)
&rst
ixpk= 879, nxpk= 0, iat= 137, 143, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 42 LEU HA 42 LEU QQD 3.28 (#peak 352)
&rst
ixpk= 352, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 42 LEU QQD 43 VAL H 3.24 (#peak 71)
&rst
ixpk= 71, nxpk= 0, iat= 143, 156, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 42 LEU QQD 43 VAL HB 4.79 (#peak 349)
&rst
ixpk= 349, nxpk= 0, iat= 143, 160, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, &end
#
# 42 LEU QQD 43 VAL QQG 4.51 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= 143, 159, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41, &end
#
# 42 LEU QQD 44 VAL H 4.60 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= 143, 172, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 42 LEU QQD 44 VAL QG1 3.41 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 178, 179, 180,
&end
#
# 42 LEU QQD 44 VAL QG2 4.35 (#peak 1276)
&rst
ixpk= 1276, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr2= 182, 183, 184,
&end
#
# 42 LEU QQD 50 ALA HA 4.07 (#peak 342)
&rst
ixpk= 342, nxpk= 0, iat= 143, 252, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 42 LEU QQD 50 ALA QB 3.36 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 254, 255, 256,
&end
#
# 42 LEU QQD 51 THR H 3.40 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat= 143, 260, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 42 LEU QQD 52 PHE HA 4.58 (#peak 1669)
&rst
ixpk= 1669, nxpk= 0, iat= 143, 276, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 42 LEU QQD 52 PHE QD 4.39 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 282, 290,
&end
#
# 42 LEU QQD 52 PHE QE 3.89 (#peak 9)
&rst
ixpk= 9, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 284, 288,
&end
#
# 42 LEU QQD 53 THR H 5.44 (#peak 941)
&rst
ixpk= 941, nxpk= 0, iat= 143, 294, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 42 LEU QQD 142 LEU QD1 3.42 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=1683,1684,1685,
&end
#
# 43 VAL H 43 VAL QQG 3.17 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= 156, 159, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 43 VAL HA 43 VAL QQG 3.06 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= 158, 159, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 43 VAL HA 143 ARG QB 4.16 (#peak 804)
&rst
ixpk= 804, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1697,1698,
&end
#
# 43 VAL QQG 44 VAL H 3.10 (#peak 76)
&rst
ixpk= 76, nxpk= 0, iat= 159, 172, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 VAL QQG 44 VAL HA 4.30 (#peak 1270)
&rst
ixpk= 1270, nxpk= 0, iat= 159, 174, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 43 VAL QQG 143 ARG H 4.76 (#peak 809)
&rst
ixpk= 809, nxpk= 0, iat= 159,1693, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 43 VAL QQG 143 ARG QB 3.64 (#peak 806)
&rst
ixpk= 806, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1697,1698,
&end
#
# 43 VAL QQG 143 ARG QG 3.80 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1700,1701,
&end
#
# 43 VAL QQG 143 ARG QD 3.58 (#peak 801)
&rst
ixpk= 801, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1703,1704,
&end
#
# 43 VAL QQG 145 THR H 4.40 (#peak 831)
&rst
ixpk= 831, nxpk= 0, iat= 159,1733, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 43 VAL QQG 145 THR HB 4.90 (#peak 1330)
&rst
ixpk= 1330, nxpk= 0, iat= 159,1737, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end
#
# 43 VAL QQG 145 THR QG2 3.15 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1739,1740,1741,
&end
#
# 44 VAL HB 48 ASP QB 3.52 (#peak 56)
&rst
ixpk= 56, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 228, 229,
&end
#
# 44 VAL QG1 48 ASP QB 4.37 (#peak 1572)
&rst
ixpk= 1572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 178, 179, 180,
igr2= 228, 229,
&end
#
# 44 VAL QG2 48 ASP QB 3.80 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 182, 183, 184,
igr2= 228, 229,
&end
#
# 45 THR H 48 ASP QB 3.67 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 228, 229,
&end
#
# 45 THR HB 48 ASP QB 4.41 (#peak 1304)
&rst
ixpk= 1304, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 228, 229,
&end
#
# 45 THR QG2 46 GLU QB 4.50 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 194, 195, 196,
igr2= 206, 207,
&end
#
# 45 THR QG2 48 ASP QB 4.89 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 194, 195, 196,
igr2= 228, 229,
&end
#
# 45 THR QG2 147 ARG QD 4.42 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 194, 195, 196,
igr2=1772,1773,
&end
#
# 46 GLU HA 47 GLY QA 5.17 (#peak 1579)
&rst
ixpk= 1579, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 219, 220,
&end
#
# 46 GLU HA 115 ARG QG 4.90 (#peak 1577)
&rst
ixpk= 1577, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1275,1276,
&end
#
# 46 GLU QB 47 GLY H 4.06 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 206, 207,
&end
#
# 46 GLU QB 114 ARG HA 5.03 (#peak 1580)
&rst
ixpk= 1580, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 206, 207,
&end
#
# 46 GLU QB 144 VAL QG1 3.57 (#peak 876)
&rst
ixpk= 876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 206, 207,
igr2=1723,1724,1725,
&end
#
# 46 GLU QB 146 GLU HA 3.52 (#peak 928)
&rst
ixpk= 928, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 206, 207,
&end
#
# 46 GLU QG 115 ARG QG 3.75 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 209, 210,
igr2=1275,1276,
&end
#
# 47 GLY QA 112 ARG HA 3.68 (#peak 742)
&rst
ixpk= 742, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 219, 220,
&end
#
# 47 GLY QA 112 ARG QB 4.53 (#peak 1646)
&rst
ixpk= 1646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 219, 220,
igr2=1214,1215,
&end
#
# 48 ASP H 48 ASP QB 2.90 (#peak 127)
&rst
ixpk= 127, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 228, 229,
&end
#
# 48 ASP QB 49 ASN H 3.90 (#peak 137)
&rst
ixpk= 137, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 228, 229,
&end
#
# 49 ASN H 49 ASN QB 3.34 (#peak 136)
&rst
ixpk= 136, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 240, 241,
&end
#
# 49 ASN HA 110 VAL QQG 4.90 (#peak 1731)
&rst
ixpk= 1731, nxpk= 0, iat= 238,1181, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end
#
# 49 ASN QB 49 ASN QD2 3.00 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 240, 241,
igr2= 245, 246,
&end
#
# 49 ASN QB 50 ALA H 3.90 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 240, 241,
&end
#
# 49 ASN QD2 111 VAL QQG 3.78 (#peak 144)
&rst
ixpk= 144, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 245, 246,
&end
#
# 49 ASN QD2 112 ARG HA 5.34 (#peak 1012)
&rst
ixpk= 1012, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 245, 246,
&end
#
# 50 ALA H 110 VAL QQG 4.23 (#peak 163)
&rst
ixpk= 163, nxpk= 0, iat= 250,1181, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 50 ALA QB 110 VAL QQG 3.94 (#peak 1265)
&rst
ixpk= 1265, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 254, 255, 256,
&end
#
# 50 ALA QB 142 LEU QB 5.34 (#peak 1705)
&rst
ixpk= 1705, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 254, 255, 256,
igr2=1678,1679,
&end
#
# 51 THR QG2 107 HIS QB 3.50 (#peak 158)
&rst
ixpk= 158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 266, 267, 268,
igr2=1137,1138,
&end
#
# 51 THR QG2 109 SER QB 4.21 (#peak 1308)
&rst
ixpk= 1308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 266, 267, 268,
igr2=1171,1172,
&end
#
# 52 PHE H 52 PHE QB 3.45 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 278, 279,
&end
#
# 52 PHE QB 53 THR H 3.52 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 278, 279,
&end
#
# 52 PHE QE 142 LEU QB 3.62 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 284, 288,
igr2=1678,1679,
&end
#
# 53 THR QG2 100 LEU QQD 4.60 (#peak 178)
&rst
ixpk= 178, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 300, 301, 302,
&end
#
# 54 CYS H 54 CYS QB 3.50 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 312, 313,
&end
#
# 54 CYS H 106 PHE QB 5.34 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1117,1118,
&end
#
# 54 CYS QB 65 LEU QQD 4.77 (#peak 1398)
&rst
ixpk= 1398, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 312, 313,
&end
#
# 55 SER H 55 SER QB 3.56 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 322, 323,
&end
#
# 55 SER QB 56 PHE H 4.10 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 322, 323,
&end
#
# 56 PHE QB 65 LEU QQD 5.24 (#peak 1397)
&rst
ixpk= 1397, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 333, 334,
&end
#
# 56 PHE QD 58 ASN QD2 3.26 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 337, 345,
igr2= 369, 370,
&end
#
# 56 PHE QD 65 LEU QQD 4.65 (#peak 1401)
&rst
ixpk= 1401, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 337, 345,
&end
#
# 56 PHE QE 65 LEU QQD 4.03 (#peak 48)
&rst
ixpk= 48, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 339, 343,
&end
#
# 58 ASN QB 58 ASN QD2 3.23 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 364, 365,
igr2= 369, 370,
&end
#
# 58 ASN QB 63 PHE QD 4.43 (#peak 1675)
&rst
ixpk= 1675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 364, 365,
igr2= 433, 441,
&end
#
# 58 ASN QB 63 PHE QE 4.11 (#peak 65)
&rst
ixpk= 65, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 364, 365,
igr2= 435, 439,
&end
#
# 61 GLU H 61 GLU QB 3.65 (#peak 222)
&rst
ixpk= 222, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 403, 404,
&end
#
# 62 SER H 62 SER QB 3.45 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 418, 419,
&end
#
# 62 SER QB 63 PHE H 3.68 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 418, 419,
&end
#
# 62 SER QB 128 LEU HG 5.34 (#peak 1450)
&rst
ixpk= 1450, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 418, 419,
&end
#
# 62 SER QB 128 LEU QQD 3.82 (#peak 1620)
&rst
ixpk= 1620, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 418, 419,
&end
#
# 63 PHE QB 64 VAL H 3.43 (#peak 245)
&rst
ixpk= 245, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 429, 430,
&end
#
# 63 PHE QB 126 ILE H 4.50 (#peak 698)
&rst
ixpk= 698, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 429, 430,
&end
#
# 63 PHE QB 127 SER HA 4.24 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 429, 430,
&end
#
# 63 PHE QD 65 LEU QQD 4.97 (#peak 101)
&rst
ixpk= 101, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 433, 441,
&end
#
# 63 PHE QE 65 LEU QQD 5.44 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 435, 439,
&end
#
# 64 VAL HA 83 PRO QD 3.97 (#peak 79)
&rst
ixpk= 79, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 755, 756,
&end
#
# 64 VAL QQG 66 ASN QD2 3.86 (#peak 266)
&rst
ixpk= 266, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 489, 490,
&end
#
# 64 VAL QQG 83 PRO QD 3.66 (#peak 83)
&rst
ixpk= 83, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 755, 756,
&end
#
# 65 LEU H 83 PRO QD 4.58 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 755, 756,
&end
#
# 65 LEU HA 65 LEU QQD 3.91 (#peak 353)
&rst
ixpk= 353, nxpk= 0, iat= 463, 467, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 65 LEU HB3 82 PHE QB 4.49 (#peak 1388)
&rst
ixpk= 1388, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 738, 739,
&end
#
# 65 LEU HB3 97 VAL QQG 4.43 (#peak 1708)
&rst
ixpk= 1708, nxpk= 0, iat= 466, 979, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 65 LEU QQD 66 ASN H 4.07 (#peak 261)
&rst
ixpk= 261, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 65 LEU QQD 82 PHE QB 5.01 (#peak 1392)
&rst
ixpk= 1392, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2= 738, 739,
&end
#
# 65 LEU QQD 97 VAL QQG 3.99 (#peak 1260)
&rst
ixpk= 1260, nxpk= 0, iat= 467, 979, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89, &end
#
# 65 LEU QQD 106 PHE QB 3.96 (#peak 1391)
&rst
ixpk= 1391, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1117,1118,
&end
#
# 65 LEU QQD 106 PHE QD 4.52 (#peak 1393)
&rst
ixpk= 1393, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1121,1129,
&end
#
# 65 LEU QQD 108 MET QE 3.43 (#peak 1155)
&rst
ixpk= 1155, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1161,1162,1163,
&end
#
# 65 LEU QQD 125 ALA HA 4.50 (#peak 1400)
&rst
ixpk= 1400, nxpk= 0, iat= 467,1409, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 65 LEU QQD 125 ALA QB 5.24 (#peak 1474)
&rst
ixpk= 1474, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1411,1412,1413,
&end
#
# 66 ASN H 66 ASN QB 3.59 (#peak 259)
&rst
ixpk= 259, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 484, 485,
&end
#
# 66 ASN H 66 ASN QD2 4.71 (#peak 263)
&rst
ixpk= 263, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 489, 490,
&end
#
# 66 ASN QB 67 TRP H 3.46 (#peak 275)
&rst
ixpk= 275, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 484, 485,
&end
#
# 66 ASN QB 68 TYR QE 4.66 (#peak 40)
&rst
ixpk= 40, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 484, 485,
igr2= 528, 533,
&end
#
# 66 ASN QB 78 LYS QG 4.11 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 484, 485,
igr2= 680, 681,
&end
#
# 66 ASN QB 78 LYS QE 4.12 (#peak 833)
&rst
ixpk= 833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 484, 485,
igr2= 686, 687,
&end
#
# 66 ASN QD2 81 ALA QB 4.32 (#peak 63)
&rst
ixpk= 63, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 489, 490,
igr2= 728, 729, 730,
&end
#
# 67 TRP H 97 VAL QQG 5.30 (#peak 966)
&rst
ixpk= 966, nxpk= 0, iat= 494, 979, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 67 TRP QB 79 LEU HB2 4.69 (#peak 1409)
&rst
ixpk= 1409, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 498, 499,
&end
#
# 67 TRP QB 79 LEU QQD 4.77 (#peak 1417)
&rst
ixpk= 1417, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 498, 499,
&end
#
# 67 TRP QB 80 ALA H 3.63 (#peak 379)
&rst
ixpk= 379, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 498, 499,
&end
#
# 67 TRP QB 80 ALA QB 3.95 (#peak 519)
&rst
ixpk= 519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 498, 499,
igr2= 718, 719, 720,
&end
#
# 67 TRP QB 97 VAL QQG 4.30 (#peak 1704)
&rst
ixpk= 1704, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 498, 499,
&end
#
# 67 TRP QB 108 MET QE 4.63 (#peak 1159)
&rst
ixpk= 1159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 498, 499,
igr2=1161,1162,1163,
&end
#
# 67 TRP HE1 121 TYR QB 3.51 (#peak 1008)
&rst
ixpk= 1008, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1354,1355,
&end
#
# 68 TYR QB 69 ARG H 3.44 (#peak 287)
&rst
ixpk= 287, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 522, 523,
&end
#
# 68 TYR QB 76 THR HB 3.96 (#peak 1317)
&rst
ixpk= 1317, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 522, 523,
&end
#
# 68 TYR QB 76 THR QG2 3.91 (#peak 1321)
&rst
ixpk= 1321, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 522, 523,
igr2= 653, 654, 655,
&end
#
# 68 TYR QB 77 ASP H 4.29 (#peak 976)
&rst
ixpk= 976, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 522, 523,
&end
#
# 68 TYR QB 122 LEU HG 3.82 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 522, 523,
&end
#
# 68 TYR QD 78 LYS QB 4.17 (#peak 61)
&rst
ixpk= 61, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 526, 535,
igr2= 677, 678,
&end
#
# 69 ARG H 69 ARG QB 3.46 (#peak 288)
&rst
ixpk= 288, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 543, 544,
&end
#
# 69 ARG H 79 LEU QQD 4.14 (#peak 291)
&rst
ixpk= 291, nxpk= 0, iat= 539, 701, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 69 ARG QB 69 ARG QD 3.25 (#peak 684)
&rst
ixpk= 684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 543, 544,
igr2= 549, 550,
&end
#
# 69 ARG QB 70 MET H 4.32 (#peak 311)
&rst
ixpk= 311, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 543, 544,
&end
#
# 69 ARG QB 77 ASP HB2 4.54 (#peak 1605)
&rst
ixpk= 1605, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 543, 544,
&end
#
# 69 ARG QB 77 ASP HB3 4.42 (#peak 1606)
&rst
ixpk= 1606, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 543, 544,
&end
#
# 69 ARG QB 79 LEU QQD 3.44 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 543, 544,
&end
#
# 69 ARG QB 121 TYR QE 4.30 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 543, 544,
igr2=1360,1365,
&end
#
# 69 ARG HG3 79 LEU QQD 4.78 (#peak 389)
&rst
ixpk= 389, nxpk= 0, iat= 547, 701, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 69 ARG QD 79 LEU QQD 3.55 (#peak 688)
&rst
ixpk= 688, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 549, 550,
&end
#
# 69 ARG QD 121 TYR QE 3.98 (#peak 99)
&rst
ixpk= 99, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 549, 550,
igr2=1360,1365,
&end
#
# 70 MET H 70 MET QB 3.33 (#peak 310)
&rst
ixpk= 310, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 567, 568,
&end
#
# 70 MET H 70 MET QG 3.55 (#peak 308)
&rst
ixpk= 308, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 570, 571,
&end
#
# 70 MET QB 70 MET QE 3.72 (#peak 1170)
&rst
ixpk= 1170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 567, 568,
igr2= 574, 575, 576,
&end
#
# 70 MET QB 71 SER H 3.91 (#peak 315)
&rst
ixpk= 315, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 567, 568,
&end
#
# 70 MET QB 120 THR H 4.34 (#peak 657)
&rst
ixpk= 657, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 567, 568,
&end
#
# 70 MET QB 120 THR HB 3.55 (#peak 173)
&rst
ixpk= 173, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 567, 568,
&end
#
# 70 MET QB 120 THR QG2 4.23 (#peak 1140)
&rst
ixpk= 1140, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 567, 568,
igr2=1342,1343,1344,
&end
#
# 70 MET QG 70 MET QE 3.61 (#peak 1167)
&rst
ixpk= 1167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 570, 571,
igr2= 574, 575, 576,
&end
#
# 70 MET QG 76 THR QG2 4.32 (#peak 1323)
&rst
ixpk= 1323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 570, 571,
igr2= 653, 654, 655,
&end
#
# 70 MET QG 122 LEU QQD 4.15 (#peak 433)
&rst
ixpk= 433, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 570, 571,
&end
#
# 71 SER H 71 SER QB 3.30 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 584, 585,
&end
#
# 71 SER QB 72 PRO QG 4.38 (#peak 612)
&rst
ixpk= 612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 584, 585,
igr2= 595, 596,
&end
#
# 71 SER QB 72 PRO HD2 4.04 (#peak 623)
&rst
ixpk= 623, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 584, 585,
&end
#
# 71 SER QB 72 PRO HD3 3.77 (#peak 624)
&rst
ixpk= 624, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 584, 585,
&end
#
# 71 SER QB 75 GLN H 4.33 (#peak 338)
&rst
ixpk= 338, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 584, 585,
&end
#
# 71 SER QB 75 GLN QB 4.34 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 584, 585,
igr2= 634, 635,
&end
#
# 71 SER QB 75 GLN QG 4.52 (#peak 1258)
&rst
ixpk= 1258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 584, 585,
igr2= 637, 638,
&end
#
# 73 SER QB 75 GLN H 5.34 (#peak 337)
&rst
ixpk= 337, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 609, 610,
&end
#
# 74 ASN H 74 ASN QB 3.60 (#peak 331)
&rst
ixpk= 331, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 620, 621,
&end
#
# 74 ASN QB 74 ASN QD2 3.11 (#peak 913)
&rst
ixpk= 913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 620, 621,
igr2= 625, 626,
&end
#
# 75 GLN H 75 GLN QB 3.20 (#peak 341)
&rst
ixpk= 341, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 634, 635,
&end
#
# 75 GLN QB 75 GLN QE2 3.43 (#peak 900)
&rst
ixpk= 900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 634, 635,
igr2= 642, 643,
&end
#
# 75 GLN QB 76 THR H 3.29 (#peak 345)
&rst
ixpk= 345, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 634, 635,
&end
#
# 77 ASP HB2 79 LEU QQD 4.51 (#peak 1607)
&rst
ixpk= 1607, nxpk= 0, iat= 665, 701, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 77 ASP HB3 79 LEU QQD 4.31 (#peak 395)
&rst
ixpk= 395, nxpk= 0, iat= 666, 701, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 78 LYS QB 78 LYS QE 3.64 (#peak 831)
&rst
ixpk= 831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 677, 678,
igr2= 686, 687,
&end
#
# 79 LEU H 79 LEU QQD 3.91 (#peak 880)
&rst
ixpk= 880, nxpk= 0, iat= 695, 701, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 79 LEU HA 79 LEU QQD 3.35 (#peak 374)
&rst
ixpk= 374, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 79 LEU QQD 80 ALA H 4.65 (#peak 938)
&rst
ixpk= 938, nxpk= 0, iat= 701, 714, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, &end
#
# 79 LEU QQD 95 PHE QD 4.61 (#peak 1418)
&rst
ixpk= 1418, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2= 940, 948,
&end
#
# 79 LEU QQD 110 VAL QQG 4.58 (#peak 1414)
&rst
ixpk= 1414, nxpk= 0, iat= 701,1181, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, &end
#
# 79 LEU QQD 121 TYR QD 3.41 (#peak 19)
&rst
ixpk= 19, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1358,1367,
&end
#
# 79 LEU QQD 121 TYR QE 3.36 (#peak 21)
&rst
ixpk= 21, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1360,1365,
&end
#
# 80 ALA QB 97 VAL QQG 3.38 (#peak 522)
&rst
ixpk= 522, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 718, 719, 720,
&end
#
# 81 ALA H 97 VAL QQG 4.60 (#peak 387)
&rst
ixpk= 387, nxpk= 0, iat= 724, 979, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 81 ALA HA 97 VAL QQG 4.34 (#peak 1262)
&rst
ixpk= 1262, nxpk= 0, iat= 726, 979, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 82 PHE H 82 PHE QB 3.58 (#peak 929)
&rst
ixpk= 929, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 738, 739,
&end
#
# 82 PHE H 97 VAL QQG 4.32 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat= 734, 979, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, &end
#
# 82 PHE HA 83 PRO QB 4.34 (#peak 890)
&rst
ixpk= 890, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 761, 762,
&end
#
# 82 PHE HA 97 VAL QQG 5.44 (#peak 1261)
&rst
ixpk= 1261, nxpk= 0, iat= 736, 979, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 82 PHE QB 97 VAL HB 4.60 (#peak 1256)
&rst
ixpk= 1256, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 738, 739,
&end
#
# 82 PHE QB 97 VAL QQG 3.51 (#peak 17)
&rst
ixpk= 17, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 738, 739,
&end
#
# 82 PHE QD 83 PRO QD 5.00 (#peak 1688)
&rst
ixpk= 1688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 742, 750,
igr2= 755, 756,
&end
#
# 82 PHE QD 97 VAL QQG 4.22 (#peak 20)
&rst
ixpk= 20, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 742, 750,
&end
#
# 83 PRO QB 84 GLU H 3.07 (#peak 406)
&rst
ixpk= 406, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 761, 762,
&end
#
# 84 GLU H 84 GLU QB 3.04 (#peak 403)
&rst
ixpk= 403, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 772, 773,
&end
#
# 85 ASP H 85 ASP QB 3.20 (#peak 410)
&rst
ixpk= 410, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 787, 788,
&end
#
# 85 ASP QB 86 ARG H 4.18 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 787, 788,
&end
#
# 86 ARG H 86 ARG QB 3.41 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 799, 800,
&end
#
# 86 ARG QB 86 ARG QD 3.57 (#peak 701)
&rst
ixpk= 701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 799, 800,
igr2= 805, 806,
&end
#
# 86 ARG QB 87 SER H 4.11 (#peak 423)
&rst
ixpk= 423, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 799, 800,
&end
#
# 87 SER H 87 SER QB 3.63 (#peak 422)
&rst
ixpk= 422, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 823, 824,
&end
#
# 87 SER QB 88 GLN H 4.45 (#peak 427)
&rst
ixpk= 427, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 823, 824,
&end
#
# 88 GLN H 89 PRO QD 5.22 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 848, 849,
&end
#
# 88 GLN QB 89 PRO QD 3.49 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 834, 835,
igr2= 848, 849,
&end
#
# 88 GLN QG 89 PRO QD 4.10 (#peak 1594)
&rst
ixpk= 1594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 837, 838,
igr2= 848, 849,
&end
#
# 89 PRO QB 90 GLY H 4.02 (#peak 884)
&rst
ixpk= 884, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 854, 855,
&end
#
# 90 GLY H 91 GLN QB 4.66 (#peak 998)
&rst
ixpk= 998, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 872, 873,
&end
#
# 91 GLN H 91 GLN QB 3.20 (#peak 435)
&rst
ixpk= 435, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 872, 873,
&end
#
# 91 GLN QB 91 GLN QE2 3.55 (#peak 905)
&rst
ixpk= 905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 872, 873,
igr2= 880, 881,
&end
#
# 91 GLN QB 92 ASP H 4.42 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 872, 873,
&end
#
# 92 ASP H 92 ASP QB 3.35 (#peak 436)
&rst
ixpk= 436, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 889, 890,
&end
#
# 93 SER H 93 SER QB 3.39 (#peak 442)
&rst
ixpk= 442, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 901, 902,
&end
#
# 94 ARG H 94 ARG QB 3.24 (#peak 446)
&rst
ixpk= 446, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 912, 913,
&end
#
# 94 ARG H 94 ARG QG 3.47 (#peak 447)
&rst
ixpk= 447, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 915, 916,
&end
#
# 94 ARG HA 94 ARG QG 3.64 (#peak 1591)
&rst
ixpk= 1591, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 915, 916,
&end
#
# 94 ARG HA 94 ARG QD 4.58 (#peak 1593)
&rst
ixpk= 1593, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 918, 919,
&end
#
# 94 ARG HA 111 VAL QQG 3.55 (#peak 113)
&rst
ixpk= 113, nxpk= 0, iat= 910,1197, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 94 ARG QB 95 PHE H 3.82 (#peak 922)
&rst
ixpk= 922, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 912, 913,
&end
#
# 94 ARG QB 95 PHE HA 5.34 (#peak 1674)
&rst
ixpk= 1674, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 912, 913,
&end
#
# 94 ARG QB 110 VAL QQG 4.45 (#peak 1287)
&rst
ixpk= 1287, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 912, 913,
&end
#
# 94 ARG QB 111 VAL H 3.97 (#peak 579)
&rst
ixpk= 579, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 912, 913,
&end
#
# 94 ARG QG 95 PHE H 4.57 (#peak 944)
&rst
ixpk= 944, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 915, 916,
&end
#
# 94 ARG QG 111 VAL H 5.34 (#peak 580)
&rst
ixpk= 580, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 915, 916,
&end
#
# 94 ARG QD 95 PHE H 5.00 (#peak 924)
&rst
ixpk= 924, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 918, 919,
&end
#
# 95 PHE H 95 PHE QB 3.14 (#peak 919)
&rst
ixpk= 919, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 936, 937,
&end
#
# 95 PHE QD 110 VAL QQG 3.80 (#peak 102)
&rst
ixpk= 102, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 940, 948,
&end
#
# 96 ARG H 96 ARG QB 3.51 (#peak 458)
&rst
ixpk= 458, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 956, 957,
&end
#
# 96 ARG HA 96 ARG QG 3.73 (#peak 725)
&rst
ixpk= 725, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 959, 960,
&end
#
# 96 ARG HA 96 ARG QD 4.06 (#peak 729)
&rst
ixpk= 729, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 962, 963,
&end
#
# 96 ARG HA 97 VAL QQG 4.52 (#peak 1263)
&rst
ixpk= 1263, nxpk= 0, iat= 954, 979, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 96 ARG QB 97 VAL H 3.81 (#peak 874)
&rst
ixpk= 874, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 956, 957,
&end
#
# 96 ARG QG 97 VAL H 4.29 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 959, 960,
&end
#
# 97 VAL H 97 VAL QQG 3.36 (#peak 873)
&rst
ixpk= 873, nxpk= 0, iat= 976, 979, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 97 VAL HA 108 MET QG 4.36 (#peak 3)
&rst
ixpk= 3, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1157,1158,
&end
#
# 97 VAL QQG 98 THR H 3.69 (#peak 467)
&rst
ixpk= 467, nxpk= 0, iat= 979, 992, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 97 VAL QQG 106 PHE QB 4.25 (#peak 1259)
&rst
ixpk= 1259, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1117,1118,
&end
#
# 97 VAL QQG 106 PHE QD 4.19 (#peak 19)
&rst
ixpk= 19, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1121,1129,
&end
#
# 97 VAL QQG 107 HIS H 4.75 (#peak 546)
&rst
ixpk= 546, nxpk= 0, iat= 979,1133, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 97 VAL QQG 108 MET HA 3.98 (#peak 891)
&rst
ixpk= 891, nxpk= 0, iat= 979,1152, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 97 VAL QQG 108 MET QG 3.53 (#peak 1166)
&rst
ixpk= 1166, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1157,1158,
&end
#
# 97 VAL QG1 108 MET HG3 5.72 (#peak 1166)
&rst
ixpk= 1166, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 982, 983, 984,
&end
#
# 97 VAL QQG 108 MET QE 3.53 (#peak 1151)
&rst
ixpk= 1151, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1161,1162,1163,
&end
#
# 97 VAL QQG 109 SER H 4.72 (#peak 561)
&rst
ixpk= 561, nxpk= 0, iat= 979,1167, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 98 THR H 107 HIS QB 4.09 (#peak 469)
&rst
ixpk= 469, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1137,1138,
&end
#
# 98 THR HB 100 LEU QQD 4.64 (#peak 1436)
&rst
ixpk= 1436, nxpk= 0, iat= 996,1029, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end
#
# 98 THR HB 107 HIS QB 3.63 (#peak 198)
&rst
ixpk= 198, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1137,1138,
&end
#
# 98 THR QG2 100 LEU QQD 3.89 (#peak 155)
&rst
ixpk= 155, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 998, 999,1000,
&end
#
# 98 THR QG2 107 HIS QB 5.12 (#peak 1326)
&rst
ixpk= 1326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 998, 999,1000,
igr2=1137,1138,
&end
#
# 99 GLN H 99 GLN QB 3.38 (#peak 473)
&rst
ixpk= 473, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1010,1011,
&end
#
# 99 GLN H 99 GLN QG 4.32 (#peak 472)
&rst
ixpk= 472, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1013,1014,
&end
#
# 99 GLN HA 100 LEU QQD 4.29 (#peak 419)
&rst
ixpk= 419, nxpk= 0, iat=1008,1029, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 99 GLN QG 100 LEU QQD 5.28 (#peak 1432)
&rst
ixpk= 1432, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1013,1014,
&end
#
# 100 LEU HA 100 LEU QQD 3.31 (#peak 420)
&rst
ixpk= 420, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 100 LEU QQD 105 ASP HB2 3.78 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat=1029,1105, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 100 LEU QQD 105 ASP HB3 3.64 (#peak 416)
&rst
ixpk= 416, nxpk= 0, iat=1029,1106, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 100 LEU QQD 107 HIS QB 4.11 (#peak 1434)
&rst
ixpk= 1434, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1137,1138,
&end
#
# 101 PRO QB 102 ASN H 3.82 (#peak 493)
&rst
ixpk= 493, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1049,1050,
&end
#
# 101 PRO QG 102 ASN H 3.97 (#peak 494)
&rst
ixpk= 494, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1046,1047,
&end
#
# 102 ASN H 102 ASN QB 3.60 (#peak 490)
&rst
ixpk= 490, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1060,1061,
&end
#
# 102 ASN H 102 ASN QD2 4.64 (#peak 95)
&rst
ixpk= 95, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1065,1066,
&end
#
# 102 ASN QB 102 ASN QD2 3.08 (#peak 888)
&rst
ixpk= 888, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1060,1061,
igr2=1065,1066,
&end
#
# 104 ARG H 104 ARG QG 3.70 (#peak 507)
&rst
ixpk= 507, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1084,1085,
&end
#
# 104 ARG QG 105 ASP H 4.68 (#peak 521)
&rst
ixpk= 521, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1084,1085,
&end
#
# 106 PHE H 106 PHE QB 3.65 (#peak 527)
&rst
ixpk= 527, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1117,1118,
&end
#
# 106 PHE QB 107 HIS H 4.20 (#peak 540)
&rst
ixpk= 540, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1117,1118,
&end
#
# 106 PHE QB 108 MET QE 3.77 (#peak 1158)
&rst
ixpk= 1158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1117,1118,
igr2=1161,1162,1163,
&end
#
# 107 HIS H 107 HIS QB 3.29 (#peak 538)
&rst
ixpk= 538, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1137,1138,
&end
#
# 107 HIS QB 108 MET H 4.28 (#peak 550)
&rst
ixpk= 550, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1137,1138,
&end
#
# 108 MET H 108 MET QG 4.22 (#peak 551)
&rst
ixpk= 551, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1157,1158,
&end
#
# 108 MET HA 108 MET QG 3.57 (#peak 889)
&rst
ixpk= 889, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1157,1158,
&end
#
# 108 MET QG 109 SER H 4.84 (#peak 560)
&rst
ixpk= 560, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1157,1158,
&end
#
# 109 SER H 110 VAL QQG 5.26 (#peak 562)
&rst
ixpk= 562, nxpk= 0, iat=1167,1181, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, &end
#
# 109 SER QB 110 VAL H 4.10 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1171,1172,
&end
#
# 110 VAL H 110 VAL QQG 3.46 (#peak 564)
&rst
ixpk= 564, nxpk= 0, iat=1178,1181, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 110 VAL QQG 111 VAL H 3.67 (#peak 582)
&rst
ixpk= 582, nxpk= 0, iat=1181,1194, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 110 VAL QQG 113 ALA H 3.99 (#peak 599)
&rst
ixpk= 599, nxpk= 0, iat=1181,1234, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 110 VAL QQG 113 ALA HA 3.46 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat=1181,1236, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 110 VAL QQG 113 ALA QB 3.12 (#peak 534)
&rst
ixpk= 534, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1238,1239,1240,
&end
#
# 110 VAL QQG 114 ARG H 4.61 (#peak 610)
&rst
ixpk= 610, nxpk= 0, iat=1181,1244, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 110 VAL QQG 142 LEU QD2 3.73 (#peak 98)
&rst
ixpk= 98, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1687,1688,1689,
&end
#
# 111 VAL H 111 VAL QQG 3.28 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat=1194,1197, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 111 VAL QQG 112 ARG H 3.63 (#peak 583)
&rst
ixpk= 583, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 111 VAL QQG 112 ARG HA 4.61 (#peak 1546)
&rst
ixpk= 1546, nxpk= 0, iat=1197,1212, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 111 VAL QQG 112 ARG QB 4.07 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1214,1215,
&end
#
# 111 VAL QQG 112 ARG QD 4.08 (#peak 110)
&rst
ixpk= 110, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=1220,1221,
&end
#
# 113 ALA HA 114 ARG QD 4.48 (#peak 1466)
&rst
ixpk= 1466, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1254,1255,
&end
#
# 114 ARG H 114 ARG QD 4.45 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1254,1255,
&end
#
# 114 ARG H 117 ASP QB 3.70 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1310,1311,
&end
#
# 114 ARG QB 114 ARG QD 3.28 (#peak 758)
&rst
ixpk= 758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1248,1249,
igr2=1254,1255,
&end
#
# 114 ARG QB 115 ARG H 3.56 (#peak 617)
&rst
ixpk= 617, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1248,1249,
&end
#
# 114 ARG QB 116 ASN QB 4.08 (#peak 1056)
&rst
ixpk= 1056, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1248,1249,
igr2=1296,1297,
&end
#
# 114 ARG QB 117 ASP H 4.18 (#peak 629)
&rst
ixpk= 629, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1248,1249,
&end
#
# 115 ARG H 115 ARG QG 3.63 (#peak 618)
&rst
ixpk= 618, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1275,1276,
&end
#
# 115 ARG HA 115 ARG QG 3.60 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1275,1276,
&end
#
# 115 ARG QB 115 ARG QD 3.45 (#peak 781)
&rst
ixpk= 781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1272,1273,
igr2=1278,1279,
&end
#
# 115 ARG QB 117 ASP H 5.34 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1272,1273,
&end
#
# 115 ARG QB 144 VAL QG1 4.86 (#peak 877)
&rst
ixpk= 877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1272,1273,
igr2=1723,1724,1725,
&end
#
# 115 ARG QG 144 VAL QG1 3.92 (#peak 776)
&rst
ixpk= 776, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1275,1276,
igr2=1723,1724,1725,
&end
#
# 115 ARG QG 146 GLU QG 5.34 (#peak 1586)
&rst
ixpk= 1586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1275,1276,
igr2=1754,1755,
&end
#
# 117 ASP QB 118 SER H 4.02 (#peak 633)
&rst
ixpk= 633, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1310,1311,
&end
#
# 117 ASP QB 142 LEU QD2 3.73 (#peak 1032)
&rst
ixpk= 1032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1310,1311,
igr2=1687,1688,1689,
&end
#
# 118 SER H 118 SER QB 3.10 (#peak 637)
&rst
ixpk= 637, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1322,1323,
&end
#
# 118 SER QB 119 GLY H 3.56 (#peak 651)
&rst
ixpk= 651, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1322,1323,
&end
#
# 118 SER QB 143 ARG HA 3.84 (#peak 576)
&rst
ixpk= 576, nxpk= 0, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1322,1323,
&end
#
# 118 SER QB 144 VAL H 3.70 (#peak 818)
&rst
ixpk= 818, nxpk= 0, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1322,1323,
&end
#
# 119 GLY H 142 LEU QB 3.54 (#peak 652)
&rst
ixpk= 652, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1678,1679,
&end
#
# 120 THR QG2 139 ARG QG 3.67 (#peak 208)
&rst
ixpk= 208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1342,1343,1344,
igr2=1632,1633,
&end
#
# 120 THR QG2 139 ARG QD 4.41 (#peak 1328)
&rst
ixpk= 1328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1342,1343,1344,
igr2=1635,1636,
&end
#
# 121 TYR H 121 TYR QB 3.59 (#peak 665)
&rst
ixpk= 665, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1354,1355,
&end
#
# 121 TYR H 139 ARG QG 4.75 (#peak 968)
&rst
ixpk= 968, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1632,1633,
&end
#
# 121 TYR QB 122 LEU H 3.79 (#peak 670)
&rst
ixpk= 670, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1354,1355,
&end
#
# 121 TYR QB 122 LEU QQD 4.92 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1=1354,1355,
&end
#
# 121 TYR QD 142 LEU QB 4.30 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1358,1367,
igr2=1678,1679,
&end
#
# 121 TYR QE 142 LEU QB 3.43 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1360,1365,
igr2=1678,1679,
&end
#
# 122 LEU QB 123 CYS H 3.34 (#peak 682)
&rst
ixpk= 682, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1375,1376,
&end
#
# 122 LEU QB 139 ARG HA 4.06 (#peak 785)
&rst
ixpk= 785, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1375,1376,
&end
#
# 122 LEU QQD 136 GLU QB 3.87 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1584,1585,
&end
#
# 122 LEU QQD 139 ARG QG 3.87 (#peak 798)
&rst
ixpk= 798, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1632,1633,
&end
#
# 122 LEU QQD 139 ARG QD 5.07 (#peak 1445)
&rst
ixpk= 1445, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1635,1636,
&end
#
# 123 CYS QB 124 GLY H 4.26 (#peak 685)
&rst
ixpk= 685, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1394,1395,
&end
#
# 125 ALA H 135 LYS QB 4.43 (#peak 693)
&rst
ixpk= 693, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1562,1563,
&end
#
# 126 ILE HA 126 ILE QG1 3.65 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1427,1428,
&end
#
# 126 ILE HB 134 ILE QG1 4.54 (#peak 1340)
&rst
ixpk= 1340, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1549,1550,
&end
#
# 126 ILE QG1 127 SER H 3.98 (#peak 705)
&rst
ixpk= 705, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1427,1428,
&end
#
# 126 ILE QG1 132 ALA QB 3.45 (#peak 554)
&rst
ixpk= 554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1427,1428,
igr2=1516,1517,1518,
&end
#
# 126 ILE QG1 134 ILE HA 4.60 (#peak 1349)
&rst
ixpk= 1349, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1427,1428,
&end
#
# 126 ILE QD1 134 ILE QG1 4.24 (#peak 263)
&rst
ixpk= 263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1430,1431,1432,
igr2=1549,1550,
&end
#
# 127 SER HA 128 LEU QQD 4.89 (#peak 1452)
&rst
ixpk= 1452, nxpk= 0, iat=1438,1453, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, &end
#
# 127 SER QB 128 LEU H 3.65 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1440,1441,
&end
#
# 127 SER QB 128 LEU HG 5.34 (#peak 1450)
&rst
ixpk= 1450, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1440,1441,
&end
#
# 127 SER QB 129 ALA H 3.84 (#peak 720)
&rst
ixpk= 720, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1440,1441,
&end
#
# 127 SER QB 129 ALA QB 3.76 (#peak 547)
&rst
ixpk= 547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1440,1441,
igr2=1470,1471,1472,
&end
#
# 128 LEU H 128 LEU QQD 4.05 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat=1447,1453, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 128 LEU HA 128 LEU QQD 3.36 (#peak 457)
&rst
ixpk= 457, nxpk= 0, iat=1449,1453, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 128 LEU QQD 129 ALA H 4.76 (#peak 977)
&rst
ixpk= 977, nxpk= 0, iat=1453,1466, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 129 ALA HA 130 PRO QG 4.51 (#peak 543)
&rst
ixpk= 543, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1480,1481,
&end
#
# 129 ALA HA 130 PRO QD 3.21 (#peak 544)
&rst
ixpk= 544, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1477,1478,
&end
#
# 129 ALA QB 130 PRO QB 4.86 (#peak 1476)
&rst
ixpk= 1476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1470,1471,1472,
igr2=1483,1484,
&end
#
# 129 ALA QB 130 PRO QD 3.31 (#peak 548)
&rst
ixpk= 548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1470,1471,1472,
igr2=1477,1478,
&end
#
# 130 PRO QB 131 LYS H 4.01 (#peak 724)
&rst
ixpk= 724, nxpk= 0, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1483,1484,
&end
#
# 132 ALA HA 133 GLN QB 4.53 (#peak 1477)
&rst
ixpk= 1477, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1526,1527,
&end
#
# 133 GLN QB 133 GLN QE2 4.26 (#peak 906)
&rst
ixpk= 906, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1526,1527,
igr2=1534,1535,
&end
#
# 133 GLN QG 133 GLN QE2 3.33 (#peak 908)
&rst
ixpk= 908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1529,1530,
igr2=1534,1535,
&end
#
# 134 ILE H 134 ILE QG1 3.45 (#peak 748)
&rst
ixpk= 748, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1549,1550,
&end
#
# 134 ILE QG2 136 GLU QG 3.88 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1545,1546,1547,
igr2=1587,1588,
&end
#
# 134 ILE QG1 135 LYS H 5.34 (#peak 753)
&rst
ixpk= 753, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1549,1550,
&end
#
# 134 ILE QD1 136 GLU QG 5.19 (#peak 1721)
&rst
ixpk= 1721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1552,1553,1554,
igr2=1587,1588,
&end
#
# 135 LYS H 135 LYS QB 3.50 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1562,1563,
&end
#
# 135 LYS H 135 LYS QG 4.27 (#peak 754)
&rst
ixpk= 754, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1565,1566,
&end
#
# 135 LYS QB 135 LYS QE 4.37 (#peak 863)
&rst
ixpk= 863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1562,1563,
igr2=1571,1572,
&end
#
# 136 GLU H 136 GLU QB 3.45 (#peak 415)
&rst
ixpk= 415, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1584,1585,
&end
#
# 136 GLU H 136 GLU QG 4.62 (#peak 438)
&rst
ixpk= 438, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1587,1588,
&end
#
# 136 GLU QG 137 SER H 4.39 (#peak 762)
&rst
ixpk= 762, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1587,1588,
&end
#
# 137 SER H 137 SER QB 3.60 (#peak 763)
&rst
ixpk= 763, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1599,1600,
&end
#
# 137 SER HA 138 LEU QB 4.83 (#peak 1628)
&rst
ixpk= 1628, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1610,1611,
&end
#
# 137 SER QB 138 LEU H 3.49 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1599,1600,
&end
#
# 138 LEU H 138 LEU QB 3.53 (#peak 773)
&rst
ixpk= 773, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1610,1611,
&end
#
# 138 LEU H 138 LEU QQD 3.83 (#peak 775)
&rst
ixpk= 775, nxpk= 0, iat=1606,1612, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 138 LEU HA 138 LEU QQD 3.19 (#peak 476)
&rst
ixpk= 476, nxpk= 0, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 138 LEU QQD 139 ARG H 3.67 (#peak 777)
&rst
ixpk= 777, nxpk= 0, iat=1612,1625, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 139 ARG H 139 ARG QD 4.21 (#peak 778)
&rst
ixpk= 778, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1635,1636,
&end
#
# 141 GLU H 141 GLU QG 3.51 (#peak 787)
&rst
ixpk= 787, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1666,1667,
&end
#
# 141 GLU HA 141 GLU QG 3.49 (#peak 922)
&rst
ixpk= 922, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1666,1667,
&end
#
# 142 LEU H 142 LEU QB 3.24 (#peak 800)
&rst
ixpk= 800, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1678,1679,
&end
#
# 142 LEU QB 143 ARG H 4.35 (#peak 992)
&rst
ixpk= 992, nxpk= 0, iat= -1,1693, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1678,1679,
&end
#
# 142 LEU QB 143 ARG HA 5.34 (#peak 1488)
&rst
ixpk= 1488, nxpk= 0, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1678,1679,
&end
#
# 143 ARG QB 144 VAL H 4.28 (#peak 822)
&rst
ixpk= 822, nxpk= 0, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1697,1698,
&end
#
# 143 ARG QB 145 THR QG2 4.41 (#peak 1334)
&rst
ixpk= 1334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1697,1698,
igr2=1739,1740,1741,
&end
#
# 147 ARG H 147 ARG QD 5.34 (#peak 848)
&rst
ixpk= 848, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1772,1773,
&end
#
# 147 ARG HA 147 ARG QD 4.16 (#peak 1563)
&rst
ixpk= 1563, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1772,1773,
&end
#
# 147 ARG QB 147 ARG QD 3.34 (#peak 780)
&rst
ixpk= 780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1766,1767,
igr2=1772,1773,
&end
#
# 148 ARG H 148 ARG QB 3.11 (#peak 859)
&rst
ixpk= 859, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1790,1791,
&end
#
# 148 ARG QB 149 ALA H 3.64 (#peak 864)
&rst
ixpk= 864, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1790,1791,
&end
#
# 54 CYS SG 123 CYS SG 2.10
&rst
ixpk= 864, nxpk= 0, iat= 314,1396, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end
#
# 54 CYS SG 123 CYS CB 3.10
&rst
ixpk= 864, nxpk= 0, iat= 314,1393, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 54 CYS CB 123 CYS SG 3.10
&rst
ixpk= 864, nxpk= 0, iat= 311,1396, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 42 LEU H 141 GLU O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 137,1672, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 42 LEU N 141 GLU O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 136,1672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 LEU O 143 ARG H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 154,1693, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 42 LEU O 143 ARG N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 154,1692, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 PHE H 108 MET O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 274,1165, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 52 PHE N 108 MET O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 273,1165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 ALA O 110 VAL H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 258,1178, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 50 ALA O 110 VAL N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 258,1177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 GLY O 142 LEU H 2.00
&rst
ixpk= 864, nxpk= 0, iat=1334,1674, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 119 GLY O 142 LEU N 3.00
&rst
ixpk= 864, nxpk= 0, iat=1334,1673, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 TYR O 140 ALA H 2.00
&rst
ixpk= 864, nxpk= 0, iat=1369,1649, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 121 TYR O 140 ALA N 3.00
&rst
ixpk= 864, nxpk= 0, iat=1369,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLU H 145 THR O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 202,1745, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 46 GLU N 145 THR O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 201,1745, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 TYR H 140 ALA O 2.00
&rst
ixpk= 864, nxpk= 0, iat=1350,1657, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 121 TYR N 140 ALA O 3.00
&rst
ixpk= 864, nxpk= 0, iat=1349,1657, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 THR O 107 HIS H 2.00
&rst
ixpk= 864, nxpk= 0, iat=1004,1133, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 98 THR O 107 HIS N 3.00
&rst
ixpk= 864, nxpk= 0, iat=1004,1132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 TRP H 80 ALA O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 494, 722, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 67 TRP N 80 ALA O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 493, 722, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 THR O 48 ASP H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 200, 224, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 45 THR O 48 ASP N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 200, 223, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 ASP O 113 ALA H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 234,1234, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 48 ASP O 113 ALA N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 234,1233, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 VAL H 143 ARG O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 172,1715, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 44 VAL N 143 ARG O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 171,1715, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 SER H 53 THR O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 83, 306, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 38 SER N 53 THR O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 82, 306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 THR H 107 HIS O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 992,1148, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 98 THR N 107 HIS O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 991,1148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 VAL O 145 THR H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 186,1733, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 44 VAL O 145 THR N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 186,1732, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 ALA O 141 GLU H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 116,1659, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 40 ALA O 141 GLU N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 116,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 ARG O 109 SER H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 974,1167, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 96 ARG O 109 SER N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 974,1166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 114 ARG O 117 ASP H 2.00
&rst
ixpk= 864, nxpk= 0, iat=1266,1306, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 114 ARG O 117 ASP N 3.00
&rst
ixpk= 864, nxpk= 0, iat=1266,1305, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 SER O 53 THR H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 92, 294, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 38 SER O 53 THR N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 92, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 GLY H 113 ALA O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 217,1242, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 47 GLY N 113 ALA O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 216,1242, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 CYS H 106 PHE O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 308,1131, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 54 CYS N 106 PHE O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 307,1131, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 PHE O 108 MET H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 292,1150, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 52 PHE O 108 MET N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 292,1149, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 ALA H 110 VAL O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 250,1192, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 50 ALA N 110 VAL O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 249,1192, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 THR O 55 SER H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 61, 318, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 36 THR O 55 SER N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 61, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 TYR H 122 LEU O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 518,1388, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 68 TYR N 122 LEU O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 517,1388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 ARG H 109 SER O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 952,1176, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 96 ARG N 109 SER O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 951,1176, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ASN H 124 GLY O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 480,1405, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 66 ASN N 124 GLY O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 479,1405, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 ARG H 77 ASP O 2.00
&rst
ixpk= 864, nxpk= 0, iat= 539, 671, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 69 ARG N 77 ASP O 3.00
&rst
ixpk= 864, nxpk= 0, iat= 538, 671, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 CYS O 106 PHE H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 316,1113, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 54 CYS O 106 PHE N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 316,1112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 TYR O 122 LEU H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 537,1371, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 68 TYR O 122 LEU N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 537,1370, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 GLY H 142 LEU O 2.00
&rst
ixpk= 864, nxpk= 0, iat=1329,1691, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 119 GLY N 142 LEU O 3.00
&rst
ixpk= 864, nxpk= 0, iat=1328,1691, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ASN O 124 GLY H 2.00
&rst
ixpk= 864, nxpk= 0, iat= 492,1400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 66 ASN O 124 GLY N 3.00
&rst
ixpk= 864, nxpk= 0, iat= 492,1399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 CYS SG 123 CYS SG 2.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314,1396, r1= 1.50, r2= 2.00, r3= 6.00, r4= 6.50,
rk2=30.0, rk3=0.0, ir6=1, ialtd=0,
&end
#
# 54 CYS SG 123 CYS CB 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314,1393, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 54 CYS CB 123 CYS SG 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 311,1396, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 42 LEU H 141 GLU O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 LEU N 141 GLU O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 136,1672, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 42 LEU O 143 ARG H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 154,1693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 LEU O 143 ARG N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 154,1692, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 52 PHE H 108 MET O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 PHE N 108 MET O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 273,1165, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 50 ALA O 110 VAL H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 258,1178, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 ALA O 110 VAL N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 258,1177, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 119 GLY O 142 LEU H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat=1334,1674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 GLY O 142 LEU N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat=1334,1673, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 121 TYR O 140 ALA H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat=1369,1649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 TYR O 140 ALA N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat=1369,1648, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 46 GLU H 145 THR O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202,1745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 GLU N 145 THR O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 201,1745, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 121 TYR H 140 ALA O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat=1350,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 TYR N 140 ALA O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat=1349,1657, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 98 THR O 107 HIS H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat=1004,1133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 THR O 107 HIS N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat=1004,1132, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 67 TRP H 80 ALA O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 722, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 TRP N 80 ALA O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 493, 722, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 45 THR O 48 ASP H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 200, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 THR O 48 ASP N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 200, 223, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 48 ASP O 113 ALA H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 234,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ASP O 113 ALA N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 234,1233, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 44 VAL H 143 ARG O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172,1715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL N 143 ARG O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171,1715, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 38 SER H 53 THR O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 306, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 SER N 53 THR O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 82, 306, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 98 THR H 107 HIS O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 992,1148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 THR N 107 HIS O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 991,1148, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 44 VAL O 145 THR H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 186,1733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 VAL O 145 THR N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 186,1732, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 40 ALA O 141 GLU H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 116,1659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ALA O 141 GLU N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 116,1658, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 96 ARG O 109 SER H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 974,1167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ARG O 109 SER N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 974,1166, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 114 ARG O 117 ASP H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat=1266,1306, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 ARG O 117 ASP N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat=1266,1305, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 38 SER O 53 THR H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 SER O 53 THR N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 293, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 47 GLY H 113 ALA O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 217,1242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 GLY N 113 ALA O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 216,1242, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 54 CYS H 106 PHE O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 308,1131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 CYS N 106 PHE O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 307,1131, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 52 PHE O 108 MET H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292,1150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 PHE O 108 MET N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292,1149, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 50 ALA H 110 VAL O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 250,1192, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 ALA N 110 VAL O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249,1192, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 36 THR O 55 SER H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 61, 318, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 THR O 55 SER N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 61, 317, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 68 TYR H 122 LEU O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518,1388, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 TYR N 122 LEU O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 517,1388, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 96 ARG H 109 SER O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 952,1176, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ARG N 109 SER O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 951,1176, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 66 ASN H 124 GLY O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480,1405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASN N 124 GLY O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 479,1405, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 69 ARG H 77 ASP O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 539, 671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ARG N 77 ASP O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 538, 671, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 54 CYS O 106 PHE H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316,1113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 CYS O 106 PHE N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316,1112, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 68 TYR O 122 LEU H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 537,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 TYR O 122 LEU N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 537,1370, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 119 GLY H 142 LEU O 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 GLY N 142 LEU O 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat=1328,1691, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
# 66 ASN O 124 GLY H 1.80 6.00
&rst
ixpk= 0, nxpk= 0, iat= 492,1400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ASN O 124 GLY N 2.70 6.00
&rst
ixpk= 0, nxpk= 0, iat= 492,1399, r1= 2.20, r2= 2.70, r3= 6.00, r4= 6.50, &end
#
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