NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
635932 |
6qbj   |
27730 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: RST.dat
#
# 2 VAL HN 2 VAL HA 4.26 (#peak 1)
&rst
ifntyp= 1, ixpk= 1, nxpk= 0, iat= 20, 22, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 33 LYS HN 33 LYS HA 4.26 (#peak 2)
&rst
ifntyp= 1, ixpk= 2, nxpk= 0, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 32 ASN HA 33 LYS HN 3.48 (#peak 3)
&rst
ifntyp= 1, ixpk= 3, nxpk= 0, iat= 476, 488, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 34 LYS HN 34 LYS HA 4.09 (#peak 4)
&rst
ifntyp= 1, ixpk= 4, nxpk= 0, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 LYS HA 34 LYS HN 3.88 (#peak 5)
&rst
ifntyp= 1, ixpk= 5, nxpk= 0, iat= 490, 510, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 ALA HN 15 ALA HA 4.03 (#peak 6)
&rst
ifntyp= 1, ixpk= 6, nxpk= 0, iat= 223, 225, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 29 SER HN 29 SER HA 3.75 (#peak 7)
&rst
ifntyp= 1, ixpk= 7, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 SER HN 29 SER QB 3.70 (#peak 8)
&rst
ifntyp= 1, ixpk= 8, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 446, 447,
&end
#
# 17 TYR HN 17 TYR HA 4.34 (#peak 9)
&rst
ifntyp= 1, ixpk= 9, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 6 ALA HN 6 ALA HA 3.82 (#peak 10)
&rst
ifntyp= 1, ixpk= 10, nxpk= 0, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 26 NLE HA 26 NLE HN 4.01 (#peak 11)
&rst
ifntyp= 1, ixpk= 11, nxpk= 0, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 ABU HA 22 ABU HN 3.85 (#peak 12)
&rst
ifntyp= 1, ixpk= 12, nxpk= 0, iat= 332, 330, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 23 PHE HN 23 PHE HA 3.66 (#peak 19)
&rst
ifntyp= 1, ixpk= 19, nxpk= 0, iat= 343, 345, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 19 TYR HA 20 GLY HN 4.24 (#peak 21)
&rst
ifntyp= 1, ixpk= 21, nxpk= 0, iat= 285, 304, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 12 VAL HN 12 VAL HA 4.01 (#peak 22)
&rst
ifntyp= 1, ixpk= 22, nxpk= 0, iat= 181, 183, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 23 PHE HA 24 ARG HN 3.85 (#peak 23)
&rst
ifntyp= 1, ixpk= 23, nxpk= 0, iat= 345, 363, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 25 LEU HN 25 LEU HA 3.39 (#peak 24)
&rst
ifntyp= 1, ixpk= 24, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 20 GLY HN 20 GLY QA 3.63 (#peak 25)
&rst
ifntyp= 1, ixpk= 25, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 306, 307,
&end
#
# 20 GLY QA 21 LEU HN 4.13 (#peak 26)
&rst
ifntyp= 1, ixpk= 26, nxpk= 0, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 306, 307,
&end
#
# 5 VAL HN 5 VAL HA 4.37 (#peak 27)
&rst
ifntyp= 1, ixpk= 27, nxpk= 0, iat= 77, 79, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 4 TYR HN 4 TYR HA 4.16 (#peak 29)
&rst
ifntyp= 1, ixpk= 29, nxpk= 0, iat= 56, 58, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 5 VAL HA 6 ALA HN 4.37 (#peak 30)
&rst
ifntyp= 1, ixpk= 30, nxpk= 0, iat= 79, 93, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 ALA HN 18 ALA HA 3.87 (#peak 31)
&rst
ifntyp= 1, ixpk= 31, nxpk= 0, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 16 LEU HN 16 LEU HA 4.09 (#peak 32)
&rst
ifntyp= 1, ixpk= 32, nxpk= 0, iat= 233, 235, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 NLE HA 11 NLE HN 4.10 (#peak 33)
&rst
ifntyp= 1, ixpk= 33, nxpk= 0, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 15 ALA HA 16 LEU HN 4.60 (#peak 34)
&rst
ifntyp= 1, ixpk= 34, nxpk= 0, iat= 225, 233, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 ALA HN 28 ALA HA 3.47 (#peak 35)
&rst
ifntyp= 1, ixpk= 35, nxpk= 0, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 SER HA 30 GLY HN 3.31 (#peak 36)
&rst
ifntyp= 1, ixpk= 36, nxpk= 0, iat= 444, 453, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 10 VAL HA 11 NLE HN 4.07 (#peak 37)
&rst
ifntyp= 1, ixpk= 37, nxpk= 0, iat= 148, 162, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 7 LEU HA 9 ALA HN 4.32 (#peak 38)
&rst
ifntyp= 1, ixpk= 38, nxpk= 0, iat= 105, 136, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 18 ALA HA 22 ABU HN 4.60 (#peak 41)
&rst
ifntyp= 1, ixpk= 41, nxpk= 0, iat= 275, 330, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 TYR HA 18 ALA HN 4.16 (#peak 42)
&rst
ifntyp= 1, ixpk= 42, nxpk= 0, iat= 254, 273, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 ABU HA 23 PHE HN 4.13 (#peak 43)
&rst
ifntyp= 1, ixpk= 43, nxpk= 0, iat= 332, 343, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 2 VAL HA 4 TYR HN 5.16 (#peak 44)
&rst
ifntyp= 1, ixpk= 44, nxpk= 0, iat= 22, 56, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 16 LEU HA 20 GLY HN 4.41 (#peak 45)
&rst
ifntyp= 1, ixpk= 45, nxpk= 0, iat= 235, 304, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 25 LEU HA 26 NLE HN 3.55 (#peak 46)
&rst
ifntyp= 1, ixpk= 46, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 32 ASN HA 34 LYS HN 4.92 (#peak 48)
&rst
ifntyp= 1, ixpk= 48, nxpk= 0, iat= 476, 510, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 24 ARG HA 25 LEU HN 3.98 (#peak 49)
&rst
ifntyp= 1, ixpk= 49, nxpk= 0, iat= 365, 387, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 TYR HA 20 GLY HN 4.51 (#peak 50)
&rst
ifntyp= 1, ixpk= 50, nxpk= 0, iat= 254, 304, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 24 ARG QD 24 ARG HE 3.76 (#peak 53)
&rst
ifntyp= 1, ixpk= 53, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 373, 374,
&end
#
# 24 ARG HG2 24 ARG HE 4.70 (#peak 57)
&rst
ifntyp= 1, ixpk= 57, nxpk= 0, iat= 370, 376, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 24 ARG HB3 24 ARG HE 5.01 (#peak 58)
&rst
ifntyp= 1, ixpk= 58, nxpk= 0, iat= 368, 376, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 24 ARG HB2 24 ARG HE 4.93 (#peak 59)
&rst
ifntyp= 1, ixpk= 59, nxpk= 0, iat= 367, 376, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 24 ARG HN 24 ARG QD 4.68 (#peak 68)
&rst
ifntyp= 1, ixpk= 68, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 373, 374,
&end
#
# 21 LEU HN 21 LEU QB 3.60 (#peak 72)
&rst
ifntyp= 1, ixpk= 72, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 315, 316,
&end
#
# 24 ARG HN 24 ARG HG2 4.36 (#peak 73)
&rst
ifntyp= 1, ixpk= 73, nxpk= 0, iat= 363, 370, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 24 ARG HN 24 ARG HB3 4.10 (#peak 74)
&rst
ifntyp= 1, ixpk= 74, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 24 ARG HN 24 ARG HB2 4.20 (#peak 75)
&rst
ifntyp= 1, ixpk= 75, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 VAL HN 10 VAL QG2 3.82 (#peak 77)
&rst
ifntyp= 1, ixpk= 77, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 156, 157, 158,
&end
#
# 10 VAL HN 10 VAL HB 3.82 (#peak 78)
&rst
ifntyp= 1, ixpk= 78, nxpk= 0, iat= 146, 150, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 ALA HN 21 LEU HG 5.41 (#peak 84)
&rst
ifntyp= 1, ixpk= 84, nxpk= 0, iat= 273, 318, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 33 LYS HN 33 LYS QG 4.59 (#peak 87)
&rst
ifntyp= 1, ixpk= 87, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 495, 496,
&end
#
# 33 LYS HN 33 LYS HB3 4.14 (#peak 88)
&rst
ifntyp= 1, ixpk= 88, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 GLY HN 30 GLY QA 4.33 (#peak 90)
&rst
ifntyp= 1, ixpk= 90, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 455, 456,
&end
#
# 11 NLE HG2 11 NLE HN 4.64 (#peak 94)
&rst
ifntyp= 1, ixpk= 94, nxpk= 0, iat= 169, 162, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 11 NLE QB 11 NLE HN 4.37 (#peak 96)
&rst
ifntyp= 1, ixpk= 96, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 166, 167,
&end
#
# 11 NLE HG2 12 VAL HN 5.43 (#peak 97)
&rst
ifntyp= 1, ixpk= 97, nxpk= 0, iat= 169, 181, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 11 NLE QB 12 VAL HN 4.76 (#peak 98)
&rst
ifntyp= 1, ixpk= 98, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 166, 167,
&end
#
# 11 NLE QB 15 ALA HN 4.67 (#peak 99)
&rst
ifntyp= 1, ixpk= 99, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 166, 167,
&end
#
# 6 ALA HN 6 ALA QB 3.85 (#peak 104)
&rst
ifntyp= 1, ixpk= 104, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 97, 98, 99,
&end
#
# 6 ALA QB 7 LEU HN 4.13 (#peak 105)
&rst
ifntyp= 1, ixpk= 105, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 97, 98, 99,
&end
#
# 22 ABU HB2 22 ABU HN 3.99 (#peak 107)
&rst
ifntyp= 1, ixpk= 107, nxpk= 0, iat= 334, 330, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 16 LEU QB 20 GLY HN 5.50 (#peak 110)
&rst
ifntyp= 1, ixpk= 110, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 238,
&end
#
# 23 PHE QB 24 ARG HN 3.94 (#peak 117)
&rst
ifntyp= 1, ixpk= 117, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 347, 348,
&end
#
# 10 VAL HB 11 NLE HN 4.15 (#peak 118)
&rst
ifntyp= 1, ixpk= 118, nxpk= 0, iat= 150, 162, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 7 LEU QB 11 NLE HN 4.55 (#peak 122)
&rst
ifntyp= 1, ixpk= 122, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 107, 108,
&end
#
# 7 LEU QB 9 ALA HN 3.96 (#peak 123)
&rst
ifntyp= 1, ixpk= 123, nxpk= 0, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 107, 108,
&end
#
# 4 TYR HN 4 TYR QB 4.11 (#peak 124)
&rst
ifntyp= 1, ixpk= 124, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 60, 61,
&end
#
# 5 VAL HN 5 VAL HB 3.86 (#peak 126)
&rst
ifntyp= 1, ixpk= 126, nxpk= 0, iat= 77, 81, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 28 ALA HN 28 ALA QB 4.02 (#peak 133)
&rst
ifntyp= 1, ixpk= 133, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 436, 437, 438,
&end
#
# 35 GLU HN 35 GLU QB 3.92 (#peak 135)
&rst
ifntyp= 1, ixpk= 135, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 536, 537,
&end
#
# 35 GLU HN 35 GLU QG 4.59 (#peak 136)
&rst
ifntyp= 1, ixpk= 136, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 539, 540,
&end
#
# 6 ALA HA 10 VAL HN 4.86 (#peak 137)
&rst
ifntyp= 1, ixpk= 137, nxpk= 0, iat= 95, 146, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 8 THR HA 12 VAL HN 5.16 (#peak 138)
&rst
ifntyp= 1, ixpk= 138, nxpk= 0, iat= 124, 181, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 34 LYS HN 35 GLU HN 4.49 (#peak 140)
&rst
ifntyp= 1, ixpk= 140, nxpk= 0, iat= 510, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 21 LEU HN 23 PHE HN 3.69 (#peak 144)
&rst
ifntyp= 1, ixpk= 144, nxpk= 0, iat= 311, 343, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 5 VAL HN 6 ALA HN 4.42 (#peak 145)
&rst
ifntyp= 1, ixpk= 145, nxpk= 0, iat= 77, 93, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 33 LYS HN 34 LYS HN 4.37 (#peak 146)
&rst
ifntyp= 1, ixpk= 146, nxpk= 0, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 4 TYR HN 5 VAL HN 4.42 (#peak 148)
&rst
ifntyp= 1, ixpk= 148, nxpk= 0, iat= 56, 77, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 20 GLY HN 21 LEU HN 4.11 (#peak 149)
&rst
ifntyp= 1, ixpk= 149, nxpk= 0, iat= 304, 311, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 19 TYR HN 20 GLY HN 4.31 (#peak 150)
&rst
ifntyp= 1, ixpk= 150, nxpk= 0, iat= 283, 304, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 9 ALA HN 10 VAL HN 4.06 (#peak 152)
&rst
ifntyp= 1, ixpk= 152, nxpk= 0, iat= 136, 146, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 PHE HN 24 ARG HN 3.68 (#peak 154)
&rst
ifntyp= 1, ixpk= 154, nxpk= 0, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 18 ALA HA 22 ABU HN 4.19 (#peak 155)
&rst
ifntyp= 1, ixpk= 155, nxpk= 0, iat= 275, 330, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 17 TYR HB3 18 ALA HN 4.67 (#peak 159)
&rst
ifntyp= 1, ixpk= 159, nxpk= 0, iat= 257, 273, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 17 TYR HB2 18 ALA HN 4.73 (#peak 160)
&rst
ifntyp= 1, ixpk= 160, nxpk= 0, iat= 256, 273, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 15 ALA HN 16 LEU HN 4.33 (#peak 161)
&rst
ifntyp= 1, ixpk= 161, nxpk= 0, iat= 223, 233, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 10 VAL HN 11 NLE HN 5.04 (#peak 162)
&rst
ifntyp= 1, ixpk= 162, nxpk= 0, iat= 146, 162, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 11 NLE HN 12 VAL HN 4.53 (#peak 163)
&rst
ifntyp= 1, ixpk= 163, nxpk= 0, iat= 162, 181, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 ALA HN 19 TYR HN 4.27 (#peak 164)
&rst
ifntyp= 1, ixpk= 164, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 12 VAL HN 13 ALA HN 5.09 (#peak 166)
&rst
ifntyp= 1, ixpk= 166, nxpk= 0, iat= 181, 197, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 5 VAL HN 7 LEU HN 5.17 (#peak 167)
&rst
ifntyp= 1, ixpk= 167, nxpk= 0, iat= 77, 103, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 11 NLE HG3 13 ALA HN 5.50 (#peak 169)
&rst
ifntyp= 1, ixpk= 169, nxpk= 0, iat= 170, 197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ALA HA 19 TYR HN 4.65 (#peak 170)
&rst
ifntyp= 1, ixpk= 170, nxpk= 0, iat= 225, 283, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 33 LYS HB3 34 LYS HN 4.82 (#peak 171)
&rst
ifntyp= 1, ixpk= 171, nxpk= 0, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 33 LYS HB2 34 LYS HN 4.82 (#peak 172)
&rst
ifntyp= 1, ixpk= 172, nxpk= 0, iat= 492, 510, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 26 NLE QB 26 NLE HN 3.90 (#peak 176)
&rst
ifntyp= 1, ixpk= 176, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 410, 411,
&end
#
# 13 ALA QB 16 LEU HN 3.96 (#peak 180)
&rst
ifntyp= 1, ixpk= 180, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 201, 202, 203,
&end
#
# 33 LYS QG 34 LYS HN 5.31 (#peak 203)
&rst
ifntyp= 1, ixpk= 203, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 495, 496,
&end
#
# 7 LEU QB 8 THR HA 4.69 (#peak 221)
&rst
ifntyp= 1, ixpk= 221, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 107, 108,
&end
#
# 35 GLU HA 35 GLU QG 4.52 (#peak 224)
&rst
ifntyp= 1, ixpk= 224, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 539, 540,
&end
#
# 4 TYR HA 4 TYR QB 3.37 (#peak 226)
&rst
ifntyp= 1, ixpk= 226, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 60, 61,
&end
#
# 24 ARG HA 24 ARG HB3 3.96 (#peak 227)
&rst
ifntyp= 1, ixpk= 227, nxpk= 0, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 24 ARG HA 24 ARG HB2 3.88 (#peak 228)
&rst
ifntyp= 1, ixpk= 228, nxpk= 0, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 24 ARG HA 24 ARG HG2 4.40 (#peak 229)
&rst
ifntyp= 1, ixpk= 229, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 21 LEU HA 21 LEU QB 3.61 (#peak 230)
&rst
ifntyp= 1, ixpk= 230, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 315, 316,
&end
#
# 33 LYS HA 33 LYS HB3 3.94 (#peak 236)
&rst
ifntyp= 1, ixpk= 236, nxpk= 0, iat= 490, 493, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 26 NLE QB 26 NLE HA 4.39 (#peak 242)
&rst
ifntyp= 1, ixpk= 242, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 410, 411,
&end
#
# 24 ARG HA 24 ARG QD 4.47 (#peak 256)
&rst
ifntyp= 1, ixpk= 256, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 373, 374,
&end
#
# 24 ARG QD 25 LEU HA 4.71 (#peak 265)
&rst
ifntyp= 1, ixpk= 265, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 373, 374,
&end
#
# 21 LEU HA 24 ARG HB3 4.49 (#peak 266)
&rst
ifntyp= 1, ixpk= 266, nxpk= 0, iat= 313, 368, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 24 ARG HG2 24 ARG QD 3.57 (#peak 285)
&rst
ifntyp= 1, ixpk= 285, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 373, 374,
&end
#
# 24 ARG HB3 24 ARG QD 3.42 (#peak 286)
&rst
ifntyp= 1, ixpk= 286, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 373, 374,
&end
#
# 24 ARG HB2 24 ARG HB3 3.12 (#peak 302)
&rst
ifntyp= 1, ixpk= 302, nxpk= 0, iat= 367, 368, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 11 NLE QB 11 NLE HG3 4.20 (#peak 303)
&rst
ifntyp= 1, ixpk= 303, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 166, 167,
&end
#
# 11 NLE QB 11 NLE HG2 4.26 (#peak 304)
&rst
ifntyp= 1, ixpk= 304, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 166, 167,
&end
#
# 10 VAL HB 11 NLE HG3 3.48 (#peak 305)
&rst
ifntyp= 1, ixpk= 305, nxpk= 0, iat= 150, 170, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 33 LYS HB2 33 LYS QG 3.96 (#peak 309)
&rst
ifntyp= 1, ixpk= 309, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 495, 496,
&end
#
# 21 LEU QB 21 LEU HG 3.36 (#peak 311)
&rst
ifntyp= 1, ixpk= 311, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 315, 316,
&end
#
# 21 LEU HA 21 LEU HG 3.61 (#peak 312)
&rst
ifntyp= 1, ixpk= 312, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 18 ALA HA 21 LEU HG 4.47 (#peak 313)
&rst
ifntyp= 1, ixpk= 313, nxpk= 0, iat= 275, 318, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 21 LEU HG 22 ABU HA 4.60 (#peak 314)
&rst
ifntyp= 1, ixpk= 314, nxpk= 0, iat= 318, 332, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 5 VAL HA 5 VAL HB 3.71 (#peak 330)
&rst
ifntyp= 1, ixpk= 330, nxpk= 0, iat= 79, 81, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 7 LEU HA 7 LEU QB 3.08 (#peak 333)
&rst
ifntyp= 1, ixpk= 333, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 107, 108,
&end
#
# 23 PHE HA 23 PHE QB 3.18 (#peak 334)
&rst
ifntyp= 1, ixpk= 334, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 347, 348,
&end
#
# 13 ALA HA 13 ALA QB 3.07 (#peak 335)
&rst
ifntyp= 1, ixpk= 335, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 201, 202, 203,
&end
#
# 19 TYR HA 19 TYR QB 3.10 (#peak 336)
&rst
ifntyp= 1, ixpk= 336, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 287, 288,
&end
#
# 35 GLU HA 35 GLU QB 3.92 (#peak 337)
&rst
ifntyp= 1, ixpk= 337, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 536, 537,
&end
#
# 34 LYS HA 34 LYS QB 3.28 (#peak 338)
&rst
ifntyp= 1, ixpk= 338, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 514, 515,
&end
#
# 28 ALA HA 28 ALA QB 4.01 (#peak 339)
&rst
ifntyp= 1, ixpk= 339, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 436, 437, 438,
&end
#
# 20 GLY QA 23 PHE QB 4.28 (#peak 342)
&rst
ifntyp= 1, ixpk= 342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 306, 307,
igr2= 347, 348,
&end
#
# 23 PHE QB 25 LEU HA 4.78 (#peak 343)
&rst
ifntyp= 1, ixpk= 343, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 347, 348,
&end
#
# 22 ABU HA 23 PHE QB 4.67 (#peak 345)
&rst
ifntyp= 1, ixpk= 345, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 347, 348,
&end
#
# 11 NLE QB 11 NLE HA 4.01 (#peak 350)
&rst
ifntyp= 1, ixpk= 350, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 166, 167,
&end
#
# 11 NLE HA 11 NLE HG3 4.13 (#peak 354)
&rst
ifntyp= 1, ixpk= 354, nxpk= 0, iat= 164, 170, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 11 NLE HA 11 NLE HG2 4.24 (#peak 355)
&rst
ifntyp= 1, ixpk= 355, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 6 ALA HA 6 ALA QB 3.56 (#peak 361)
&rst
ifntyp= 1, ixpk= 361, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 97, 98, 99,
&end
#
# 15 ALA HA 15 ALA QB 4.07 (#peak 362)
&rst
ifntyp= 1, ixpk= 362, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 227, 228, 229,
&end
#
# 16 LEU HA 16 LEU QB 3.88 (#peak 366)
&rst
ifntyp= 1, ixpk= 366, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 237, 238,
&end
#
# 29 SER HA 29 SER QB 3.59 (#peak 367)
&rst
ifntyp= 1, ixpk= 367, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 446, 447,
&end
#
# 18 ALA HA 18 ALA QB 3.81 (#peak 368)
&rst
ifntyp= 1, ixpk= 368, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 277, 278, 279,
&end
#
# 5 VAL HN 5 VAL QQG 4.07 (#peak 376)
&rst
ifntyp= 1, ixpk= 376, nxpk= 0, iat= 77, 80, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 7 LEU HN 7 LEU QB 3.48 (#peak 382)
&rst
ifntyp= 1, ixpk= 382, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 107, 108,
&end
#
# 13 ALA HN 13 ALA QB 3.43 (#peak 391)
&rst
ifntyp= 1, ixpk= 391, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 201, 202, 203,
&end
#
# 23 PHE HN 23 PHE QB 3.45 (#peak 392)
&rst
ifntyp= 1, ixpk= 392, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 347, 348,
&end
#
# 19 TYR HN 19 TYR QB 3.40 (#peak 393)
&rst
ifntyp= 1, ixpk= 393, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 287, 288,
&end
#
# 21 LEU HN 23 PHE QB 3.81 (#peak 394)
&rst
ifntyp= 1, ixpk= 394, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 347, 348,
&end
#
# 19 TYR QB 20 GLY HN 3.86 (#peak 396)
&rst
ifntyp= 1, ixpk= 396, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 287, 288,
&end
#
# 10 VAL QG2 11 NLE HN 4.52 (#peak 397)
&rst
ifntyp= 1, ixpk= 397, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 156, 157, 158,
&end
#
# 5 VAL HB 6 ALA HN 4.30 (#peak 398)
&rst
ifntyp= 1, ixpk= 398, nxpk= 0, iat= 81, 93, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 LEU QB 8 THR HN 3.81 (#peak 399)
&rst
ifntyp= 1, ixpk= 399, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 107, 108,
&end
#
# 33 LYS HN 33 LYS HB2 4.42 (#peak 403)
&rst
ifntyp= 1, ixpk= 403, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 24 ARG HB2 33 LYS HN 4.79 (#peak 410)
&rst
ifntyp= 1, ixpk= 410, nxpk= 0, iat= 367, 488, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 ABU HB2 23 PHE HN 4.20 (#peak 413)
&rst
ifntyp= 1, ixpk= 413, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 ALA QB 16 LEU HN 4.78 (#peak 420)
&rst
ifntyp= 1, ixpk= 420, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 227, 228, 229,
&end
#
# 21 LEU HN 21 LEU HA 3.81 (#peak 421)
&rst
ifntyp= 1, ixpk= 421, nxpk= 0, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 9 ALA HA 10 VAL HN 4.34 (#peak 424)
&rst
ifntyp= 1, ixpk= 424, nxpk= 0, iat= 138, 146, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 ALA HA 13 ALA HN 4.77 (#peak 425)
&rst
ifntyp= 1, ixpk= 425, nxpk= 0, iat= 138, 197, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 9 ALA HN 9 ALA HA 3.90 (#peak 427)
&rst
ifntyp= 1, ixpk= 427, nxpk= 0, iat= 136, 138, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 ALA HN 18 ALA QB 4.20 (#peak 430)
&rst
ifntyp= 1, ixpk= 430, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 277, 278, 279,
&end
#
# 29 SER QB 30 GLY HN 3.82 (#peak 431)
&rst
ifntyp= 1, ixpk= 431, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 446, 447,
&end
#
# 18 ALA QB 19 TYR HN 3.79 (#peak 432)
&rst
ifntyp= 1, ixpk= 432, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 277, 278, 279,
&end
#
# 24 ARG HN 24 ARG HA 4.18 (#peak 439)
&rst
ifntyp= 1, ixpk= 439, nxpk= 0, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 10 VAL HN 10 VAL HA 3.39 (#peak 440)
&rst
ifntyp= 1, ixpk= 440, nxpk= 0, iat= 146, 148, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 TYR HN 19 TYR HA 3.90 (#peak 441)
&rst
ifntyp= 1, ixpk= 441, nxpk= 0, iat= 283, 285, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 4 TYR HA 8 THR HN 4.01 (#peak 442)
&rst
ifntyp= 1, ixpk= 442, nxpk= 0, iat= 58, 122, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 GLY QA 30 GLY HN 4.70 (#peak 444)
&rst
ifntyp= 1, ixpk= 444, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 427, 428,
&end
#
# 4 TYR HA 6 ALA HN 4.01 (#peak 445)
&rst
ifntyp= 1, ixpk= 445, nxpk= 0, iat= 58, 93, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 35 GLU HN 35 GLU HA 3.91 (#peak 446)
&rst
ifntyp= 1, ixpk= 446, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 18 ALA HA 21 LEU HN 4.44 (#peak 447)
&rst
ifntyp= 1, ixpk= 447, nxpk= 0, iat= 275, 311, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 6 ALA HN 7 LEU HN 4.04 (#peak 450)
&rst
ifntyp= 1, ixpk= 450, nxpk= 0, iat= 93, 103, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 25 LEU HN 26 NLE HN 3.95 (#peak 451)
&rst
ifntyp= 1, ixpk= 451, nxpk= 0, iat= 387, 406, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 30 GLY QA 31 PRO HD2 3.76 (#peak 471)
&rst
ifntyp= 1, ixpk= 471, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 455, 456,
&end
#
# 30 GLY QA 31 PRO HD3 3.80 (#peak 472)
&rst
ifntyp= 1, ixpk= 472, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 455, 456,
&end
#
# 32 ASN HA 32 ASN QB 3.88 (#peak 474)
&rst
ifntyp= 1, ixpk= 474, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 478, 479,
&end
#
# 32 ASN QB 32 ASN QD2 4.47 (#peak 477)
&rst
ifntyp= 1, ixpk= 477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 478, 479,
igr2= 483, 484,
&end
#
# 31 PRO HA 32 ASN QD2 3.80 (#peak 493)
&rst
ifntyp= 1, ixpk= 493, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 483, 484,
&end
#
# 31 PRO HD2 31 PRO HD3 3.11 (#peak 494)
&rst
ifntyp= 1, ixpk= 494, nxpk= 0, iat= 461, 462, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 31 PRO HA 31 PRO QB 4.12 (#peak 496)
&rst
ifntyp= 1, ixpk= 496, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 467, 468,
&end
#
# 31 PRO HA 31 PRO HG2 4.70 (#peak 497)
&rst
ifntyp= 1, ixpk= 497, nxpk= 0, iat= 470, 464, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 PRO HA 31 PRO HG3 4.58 (#peak 498)
&rst
ifntyp= 1, ixpk= 498, nxpk= 0, iat= 470, 465, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 31 PRO HD2 31 PRO QB 4.68 (#peak 499)
&rst
ifntyp= 1, ixpk= 499, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 467, 468,
&end
#
# 31 PRO HD2 31 PRO HG3 4.38 (#peak 500)
&rst
ifntyp= 1, ixpk= 500, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 PRO HG2 31 PRO HD2 4.09 (#peak 503)
&rst
ifntyp= 1, ixpk= 503, nxpk= 0, iat= 464, 461, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 LYS HA 33 LYS QG 4.25 (#peak 504)
&rst
ifntyp= 1, ixpk= 504, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 495, 496,
&end
#
# 33 LYS HA 33 LYS HB2 4.06 (#peak 505)
&rst
ifntyp= 1, ixpk= 505, nxpk= 0, iat= 490, 492, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 17 TYR HA 17 TYR HB2 4.00 (#peak 508)
&rst
ifntyp= 1, ixpk= 508, nxpk= 0, iat= 254, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 ASN QB 33 LYS HN 4.86 (#peak 509)
&rst
ifntyp= 1, ixpk= 509, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 478, 479,
&end
#
# 23 PHE HN 24 ARG HB3 4.57 (#peak 527)
&rst
ifntyp= 1, ixpk= 527, nxpk= 0, iat= 343, 368, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 11 NLE HG3 11 NLE HG2 3.44 (#peak 529)
&rst
ifntyp= 1, ixpk= 529, nxpk= 0, iat= 170, 169, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 1 VAL HB 2 VAL HN 4.17 (#peak 530)
&rst
ifntyp= 1, ixpk= 530, nxpk= 0, iat= 8, 20, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 1 VAL HA 2 VAL HN 4.76 (#peak 536)
&rst
ifntyp= 1, ixpk= 536, nxpk= 0, iat= 6, 20, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 1 VAL HA 4 TYR HN 4.68 (#peak 538)
&rst
ifntyp= 1, ixpk= 538, nxpk= 0, iat= 6, 56, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 VAL QG2 11 NLE HA 4.64 (#peak 545)
&rst
ifntyp= 1, ixpk= 545, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 156, 157, 158,
&end
#
# 10 VAL HB 11 NLE HA 4.59 (#peak 546)
&rst
ifntyp= 1, ixpk= 546, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 4 TYR HA 5 VAL HN 4.75 (#peak 548)
&rst
ifntyp= 1, ixpk= 548, nxpk= 0, iat= 58, 77, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 LEU HN 21 LEU HG 3.87 (#peak 553)
&rst
ifntyp= 1, ixpk= 553, nxpk= 0, iat= 311, 318, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 31 PRO QB 33 LYS HN 4.98 (#peak 554)
&rst
ifntyp= 1, ixpk= 554, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 467, 468,
&end
#
# 11 NLE HN 11 NLE HG3 4.49 (#peak 555)
&rst
ifntyp= 1, ixpk= 555, nxpk= 0, iat= 162, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 28 ALA HA 29 SER HN 4.06 (#peak 573)
&rst
ifntyp= 1, ixpk= 573, nxpk= 0, iat= 434, 442, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 18 ALA HA 19 TYR HN 4.02 (#peak 574)
&rst
ifntyp= 1, ixpk= 574, nxpk= 0, iat= 275, 283, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 34 LYS HA 35 GLU HN 3.91 (#peak 576)
&rst
ifntyp= 1, ixpk= 576, nxpk= 0, iat= 512, 532, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 13 ALA HN 13 ALA HA 3.58 (#peak 577)
&rst
ifntyp= 1, ixpk= 577, nxpk= 0, iat= 197, 199, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 6 ALA HA 7 LEU HN 4.37 (#peak 578)
&rst
ifntyp= 1, ixpk= 578, nxpk= 0, iat= 95, 103, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 7 LEU HN 7 LEU HA 3.55 (#peak 579)
&rst
ifntyp= 1, ixpk= 579, nxpk= 0, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 9 ALA HA 12 VAL HN 4.86 (#peak 580)
&rst
ifntyp= 1, ixpk= 580, nxpk= 0, iat= 138, 181, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 LEU QB 23 PHE HN 4.03 (#peak 587)
&rst
ifntyp= 1, ixpk= 587, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 315, 316,
&end
#
# 34 LYS HN 34 LYS QB 3.68 (#peak 589)
&rst
ifntyp= 1, ixpk= 589, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 514, 515,
&end
#
# 1 VAL HB 3 PHE HA 3.64 (#peak 591)
&rst
ifntyp= 1, ixpk= 591, nxpk= 0, iat= 8, 38, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 33 LYS HB3 33 LYS QG 3.92 (#peak 595)
&rst
ifntyp= 1, ixpk= 595, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 495, 496,
&end
#
# 2 VAL HN 3 PHE HA 3.43 (#peak 596)
&rst
ifntyp= 1, ixpk= 596, nxpk= 0, iat= 20, 38, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 15 ALA O 19 TYR HN 1.80
&rst
ifntyp= 1, ixpk= 596, nxpk= 0, iat= 231, 283, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 16 LEU O 20 GLY HN 1.80
&rst
ifntyp= 1, ixpk= 596, nxpk= 0, iat= 250, 304, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 18 ALA O 22 ABU HN 1.80
&rst
ifntyp= 1, ixpk= 596, nxpk= 0, iat= 281, 330, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 6 ALA O 11 VAL HN 1.80
&rst
ifntyp= 1, ixpk= 596, nxpk= 0, iat= 101, 162, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
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