NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
635907 |
6qan   |
34339 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: NT_RST.dat
#
# 2 ASP HN 2 ASP HA 4.26 (#peak 1)
&rst
ifntyp= 1, ixpk= 1, nxpk= 0, iat= 28, 30, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 33 GLN HN 33 GLN HA 4.26 (#peak 2)
&rst
ifntyp= 1, ixpk= 2, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 32 PRO HA 33 GLN HN 3.48 (#peak 3)
&rst
ifntyp= 1, ixpk= 3, nxpk= 0, iat= 490, 494, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 34 ALA HN 34 ALA HA 4.09 (#peak 4)
&rst
ifntyp= 1, ixpk= 4, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 GLN HA 34 ALA HN 3.88 (#peak 5)
&rst
ifntyp= 1, ixpk= 5, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 ASP HN 15 ASP HA 4.03 (#peak 6)
&rst
ifntyp= 1, ixpk= 6, nxpk= 0, iat= 232, 234, 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= 440, 442, 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= 440, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 444, 445,
&end
#
# 17 TRP HN 17 TRP HA 4.34 (#peak 9)
&rst
ifntyp= 1, ixpk= 9, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 6 ASP HN 6 ASP HA 3.82 (#peak 10)
&rst
ifntyp= 1, ixpk= 10, nxpk= 0, iat= 92, 94, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 26 VAL HN 26 VAL HA 4.01 (#peak 11)
&rst
ifntyp= 1, ixpk= 11, nxpk= 0, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 TYR HN 22 TYR HA 3.85 (#peak 12)
&rst
ifntyp= 1, ixpk= 12, nxpk= 0, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 23 ALA HN 23 ALA HA 3.66 (#peak 19)
&rst
ifntyp= 1, ixpk= 19, nxpk= 0, iat= 350, 352, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 19 ALA HA 20 GLY HN 4.24 (#peak 21)
&rst
ifntyp= 1, ixpk= 21, nxpk= 0, iat= 301, 309, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 12 GLY HN 12 GLY QA 4.01 (#peak 22)
&rst
ifntyp= 1, ixpk= 22, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 198, 199,
&end
#
# 23 ALA HA 24 ARG HN 3.85 (#peak 23)
&rst
ifntyp= 1, ixpk= 23, nxpk= 0, iat= 352, 360, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 25 GLY HN 25 GLY QA 3.39 (#peak 24)
&rst
ifntyp= 1, ixpk= 24, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 386, 387,
&end
#
# 20 GLY HN 20 GLY QA 3.63 (#peak 25)
&rst
ifntyp= 1, ixpk= 25, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 311, 312,
&end
#
# 20 GLY QA 21 ABU HN 4.13 (#peak 26)
&rst
ifntyp= 1, ixpk= 26, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 311, 312,
&end
#
# 5 LEU HN 5 LEU HA 4.37 (#peak 27)
&rst
ifntyp= 1, ixpk= 27, nxpk= 0, iat= 73, 75, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 4 LEU HN 4 LEU HA 4.16 (#peak 29)
&rst
ifntyp= 1, ixpk= 29, nxpk= 0, iat= 54, 56, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 5 LEU HA 6 ASP HN 4.37 (#peak 30)
&rst
ifntyp= 1, ixpk= 30, nxpk= 0, iat= 75, 92, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 SER HN 18 SER HA 3.87 (#peak 31)
&rst
ifntyp= 1, ixpk= 31, nxpk= 0, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 16 PHE HN 16 PHE HA 4.09 (#peak 32)
&rst
ifntyp= 1, ixpk= 32, nxpk= 0, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 GLU HN 11 GLU HA 4.10 (#peak 33)
&rst
ifntyp= 1, ixpk= 33, nxpk= 0, iat= 181, 183, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 15 ASP HA 16 PHE HN 4.60 (#peak 34)
&rst
ifntyp= 1, ixpk= 34, nxpk= 0, iat= 234, 244, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 LEU HN 28 LEU HA 3.47 (#peak 35)
&rst
ifntyp= 1, ixpk= 35, nxpk= 0, iat= 421, 423, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 SER HA 30 GLU HN 3.31 (#peak 36)
&rst
ifntyp= 1, ixpk= 36, nxpk= 0, iat= 442, 451, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 10 ARG HA 11 GLU HN 4.07 (#peak 37)
&rst
ifntyp= 1, ixpk= 37, nxpk= 0, iat= 159, 181, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 18 SER HN 18 SER HB2 3.97 (#peak 40)
&rst
ifntyp= 1, ixpk= 40, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 18 SER HA 22 TYR HN 4.60 (#peak 41)
&rst
ifntyp= 1, ixpk= 41, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 TRP HA 18 SER HN 4.16 (#peak 42)
&rst
ifntyp= 1, ixpk= 42, nxpk= 0, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 TYR HA 23 ALA HN 4.13 (#peak 43)
&rst
ifntyp= 1, ixpk= 43, nxpk= 0, iat= 331, 350, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 16 PHE HA 20 GLY HN 4.41 (#peak 45)
&rst
ifntyp= 1, ixpk= 45, nxpk= 0, iat= 246, 309, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 25 GLY QA 26 VAL HN 3.55 (#peak 46)
&rst
ifntyp= 1, ixpk= 46, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 386, 387,
&end
#
# 32 PRO HA 34 ALA HN 4.92 (#peak 48)
&rst
ifntyp= 1, ixpk= 48, nxpk= 0, iat= 490, 511, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 24 ARG HA 25 GLY HN 3.98 (#peak 49)
&rst
ifntyp= 1, ixpk= 49, nxpk= 0, iat= 362, 384, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 TRP HA 20 GLY HN 4.51 (#peak 50)
&rst
ifntyp= 1, ixpk= 50, nxpk= 0, iat= 266, 309, 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, 373, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 370, 371,
&end
#
# 10 ARG QD 10 ARG HE 3.59 (#peak 54)
&rst
ifntyp= 1, ixpk= 54, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 167, 168,
&end
#
# 9 ARG QD 9 ARG HE 3.63 (#peak 55)
&rst
ifntyp= 1, ixpk= 55, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 143, 144,
&end
#
# 10 ARG HG3 10 ARG HE 4.63 (#peak 56)
&rst
ifntyp= 1, ixpk= 56, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 24 ARG HG2 24 ARG HE 4.70 (#peak 57)
&rst
ifntyp= 1, ixpk= 57, nxpk= 0, iat= 367, 373, 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= 365, 373, 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= 364, 373, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 10 ARG QB 10 ARG HE 4.55 (#peak 60)
&rst
ifntyp= 1, ixpk= 60, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 161, 162,
&end
#
# 10 ARG HG2 10 ARG HE 4.76 (#peak 61)
&rst
ifntyp= 1, ixpk= 61, nxpk= 0, iat= 164, 170, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 ARG HN 24 ARG QD 4.68 (#peak 68)
&rst
ifntyp= 1, ixpk= 68, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 370, 371,
&end
#
# 10 ARG HN 10 ARG QD 4.70 (#peak 69)
&rst
ifntyp= 1, ixpk= 69, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 167, 168,
&end
#
# 9 ARG QD 10 ARG HN 4.93 (#peak 70)
&rst
ifntyp= 1, ixpk= 70, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 143, 144,
&end
#
# 9 ARG HN 9 ARG QD 4.53 (#peak 71)
&rst
ifntyp= 1, ixpk= 71, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 143, 144,
&end
#
# 21 ABU QB 21 ABU HN 3.60 (#peak 72)
&rst
ifntyp= 1, ixpk= 72, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 320, 321,
&end
#
# 24 ARG HN 24 ARG HG2 4.36 (#peak 73)
&rst
ifntyp= 1, ixpk= 73, nxpk= 0, iat= 360, 367, 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= 360, 365, 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= 360, 364, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 ARG HN 10 ARG HG3 4.32 (#peak 76)
&rst
ifntyp= 1, ixpk= 76, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 10 ARG HN 10 ARG HG2 3.82 (#peak 77)
&rst
ifntyp= 1, ixpk= 77, nxpk= 0, iat= 157, 164, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 10 ARG HN 10 ARG QB 3.82 (#peak 78)
&rst
ifntyp= 1, ixpk= 78, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 161, 162,
&end
#
# 9 ARG HN 9 ARG HB2 4.17 (#peak 79)
&rst
ifntyp= 1, ixpk= 79, nxpk= 0, iat= 133, 137, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 ARG HN 9 ARG HB3 3.71 (#peak 80)
&rst
ifntyp= 1, ixpk= 80, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 9 ARG HN 9 ARG HG2 3.83 (#peak 81)
&rst
ifntyp= 1, ixpk= 81, nxpk= 0, iat= 133, 140, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 9 ARG HN 9 ARG HG3 3.82 (#peak 82)
&rst
ifntyp= 1, ixpk= 82, nxpk= 0, iat= 133, 141, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 SER HN 21 ABU QB 5.41 (#peak 84)
&rst
ifntyp= 1, ixpk= 84, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 320, 321,
&end
#
# 20 GLY HN 21 ABU QG 5.35 (#peak 86)
&rst
ifntyp= 1, ixpk= 86, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 324, 325,
&end
#
# 33 GLN HN 33 GLN QG 4.59 (#peak 87)
&rst
ifntyp= 1, ixpk= 87, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 501, 502,
&end
#
# 33 GLN HN 33 GLN HB3 4.14 (#peak 88)
&rst
ifntyp= 1, ixpk= 88, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 GLU HN 30 GLU HA 4.33 (#peak 90)
&rst
ifntyp= 1, ixpk= 90, nxpk= 0, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 30 GLU HN 30 GLU QG 4.30 (#peak 91)
&rst
ifntyp= 1, ixpk= 91, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 458, 459,
&end
#
# 30 GLU HN 30 GLU HB2 4.20 (#peak 92)
&rst
ifntyp= 1, ixpk= 92, nxpk= 0, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 GLU HN 30 GLU HB3 4.04 (#peak 93)
&rst
ifntyp= 1, ixpk= 93, nxpk= 0, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 11 GLU HN 11 GLU HG2 4.64 (#peak 94)
&rst
ifntyp= 1, ixpk= 94, nxpk= 0, iat= 181, 188, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 11 GLU HN 11 GLU QB 4.37 (#peak 96)
&rst
ifntyp= 1, ixpk= 96, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 185, 186,
&end
#
# 11 GLU HG2 12 GLY HN 5.43 (#peak 97)
&rst
ifntyp= 1, ixpk= 97, nxpk= 0, iat= 188, 196, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 11 GLU QB 12 GLY HN 4.76 (#peak 98)
&rst
ifntyp= 1, ixpk= 98, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 185, 186,
&end
#
# 11 GLU HA 15 ASP HN 4.67 (#peak 99)
&rst
ifntyp= 1, ixpk= 99, nxpk= 0, iat= 183, 232, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 15 ASP HN 15 ASP HB3 4.33 (#peak 100)
&rst
ifntyp= 1, ixpk= 100, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 15 ASP HN 15 ASP HB2 4.25 (#peak 101)
&rst
ifntyp= 1, ixpk= 101, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 15 ASP HB2 16 PHE HN 4.71 (#peak 103)
&rst
ifntyp= 1, ixpk= 103, nxpk= 0, iat= 236, 244, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 6 ASP HN 6 ASP QB 3.85 (#peak 104)
&rst
ifntyp= 1, ixpk= 104, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 96, 97,
&end
#
# 6 ASP QB 7 ALA HN 4.13 (#peak 105)
&rst
ifntyp= 1, ixpk= 105, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 96, 97,
&end
#
# 16 PHE HN 16 PHE QB 4.09 (#peak 106)
&rst
ifntyp= 1, ixpk= 106, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 248, 249,
&end
#
# 22 TYR HN 22 TYR HB2 3.99 (#peak 107)
&rst
ifntyp= 1, ixpk= 107, nxpk= 0, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 22 TYR HN 22 TYR HB3 4.00 (#peak 108)
&rst
ifntyp= 1, ixpk= 108, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 TYR HB3 23 ALA HN 4.45 (#peak 109)
&rst
ifntyp= 1, ixpk= 109, nxpk= 0, iat= 334, 350, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 16 PHE QB 20 GLY HN 5.50 (#peak 110)
&rst
ifntyp= 1, ixpk= 110, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 23 ALA HN 24 ARG QD 5.27 (#peak 111)
&rst
ifntyp= 1, ixpk= 111, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 370, 371,
&end
#
# 23 ALA QB 24 ARG HN 3.94 (#peak 117)
&rst
ifntyp= 1, ixpk= 117, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 354, 355, 356,
&end
#
# 10 ARG QB 11 GLU HN 4.15 (#peak 118)
&rst
ifntyp= 1, ixpk= 118, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 161, 162,
&end
#
# 10 ARG HG3 11 GLU HN 4.21 (#peak 120)
&rst
ifntyp= 1, ixpk= 120, nxpk= 0, iat= 165, 181, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 7 ALA HA 11 GLU HN 4.55 (#peak 122)
&rst
ifntyp= 1, ixpk= 122, nxpk= 0, iat= 106, 181, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 4 LEU HN 4 LEU QB 4.11 (#peak 124)
&rst
ifntyp= 1, ixpk= 124, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 58, 59,
&end
#
# 5 LEU HN 5 LEU QB 3.86 (#peak 126)
&rst
ifntyp= 1, ixpk= 126, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 77, 78,
&end
#
# 28 LEU HN 28 LEU QB 4.02 (#peak 133)
&rst
ifntyp= 1, ixpk= 133, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 425, 426,
&end
#
# 35 LEU HN 35 LEU QB 3.92 (#peak 135)
&rst
ifntyp= 1, ixpk= 135, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 525, 526,
&end
#
# 35 LEU HN 35 LEU HG 4.59 (#peak 136)
&rst
ifntyp= 1, ixpk= 136, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 6 ASP QB 10 ARG HN 4.86 (#peak 137)
&rst
ifntyp= 1, ixpk= 137, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 96, 97,
&end
#
# 34 ALA HN 35 LEU HN 4.49 (#peak 140)
&rst
ifntyp= 1, ixpk= 140, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 21 ABU HN 23 ALA HN 3.69 (#peak 144)
&rst
ifntyp= 1, ixpk= 144, nxpk= 0, iat= 316, 350, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 5 LEU HN 6 ASP HN 4.42 (#peak 145)
&rst
ifntyp= 1, ixpk= 145, nxpk= 0, iat= 73, 92, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 33 GLN HN 34 ALA HN 4.37 (#peak 146)
&rst
ifntyp= 1, ixpk= 146, nxpk= 0, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 4 LEU HN 5 LEU HN 4.42 (#peak 148)
&rst
ifntyp= 1, ixpk= 148, nxpk= 0, iat= 54, 73, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 20 GLY HN 21 ABU HN 4.11 (#peak 149)
&rst
ifntyp= 1, ixpk= 149, nxpk= 0, iat= 309, 316, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 19 ALA HN 20 GLY HN 4.31 (#peak 150)
&rst
ifntyp= 1, ixpk= 150, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 9 ARG HN 10 ARG HN 4.06 (#peak 152)
&rst
ifntyp= 1, ixpk= 152, nxpk= 0, iat= 133, 157, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 ALA HN 24 ARG HN 3.68 (#peak 154)
&rst
ifntyp= 1, ixpk= 154, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 18 SER HA 22 TYR HN 4.69 (#peak 155)
&rst
ifntyp= 1, ixpk= 155, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 29 SER HN 30 GLU QG 5.33 (#peak 156)
&rst
ifntyp= 1, ixpk= 156, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 458, 459,
&end
#
# 17 TRP HN 17 TRP HB2 4.43 (#peak 157)
&rst
ifntyp= 1, ixpk= 157, nxpk= 0, iat= 264, 268, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 17 TRP HN 17 TRP HB3 4.38 (#peak 158)
&rst
ifntyp= 1, ixpk= 158, nxpk= 0, iat= 264, 269, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 ASP HN 16 PHE HN 4.33 (#peak 161)
&rst
ifntyp= 1, ixpk= 161, nxpk= 0, iat= 232, 244, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 10 ARG HN 11 GLU HN 5.04 (#peak 162)
&rst
ifntyp= 1, ixpk= 162, nxpk= 0, iat= 157, 181, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 11 GLU HN 12 GLY HN 4.53 (#peak 163)
&rst
ifntyp= 1, ixpk= 163, nxpk= 0, iat= 181, 196, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 SER HN 19 ALA HN 4.27 (#peak 164)
&rst
ifntyp= 1, ixpk= 164, nxpk= 0, iat= 288, 299, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 12 GLY HN 13 ALA HN 5.09 (#peak 166)
&rst
ifntyp= 1, ixpk= 166, nxpk= 0, iat= 196, 203, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 5 LEU HN 7 ALA HN 5.17 (#peak 167)
&rst
ifntyp= 1, ixpk= 167, nxpk= 0, iat= 73, 104, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 15 ASP HA 19 ALA HN 4.65 (#peak 170)
&rst
ifntyp= 1, ixpk= 170, nxpk= 0, iat= 234, 299, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 33 GLN HB3 34 ALA HN 4.82 (#peak 171)
&rst
ifntyp= 1, ixpk= 171, nxpk= 0, iat= 499, 511, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 33 GLN HB2 34 ALA HN 4.82 (#peak 172)
&rst
ifntyp= 1, ixpk= 172, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 32 PRO HG3 33 GLN HN 4.64 (#peak 173)
&rst
ifntyp= 1, ixpk= 173, nxpk= 0, iat= 485, 494, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 GLU HB2 35 LEU HN 5.17 (#peak 174)
&rst
ifntyp= 1, ixpk= 174, nxpk= 0, iat= 455, 521, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 10 ARG HN 11 GLU QB 5.50 (#peak 175)
&rst
ifntyp= 1, ixpk= 175, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 185, 186,
&end
#
# 26 VAL HN 26 VAL HB 3.90 (#peak 176)
&rst
ifntyp= 1, ixpk= 176, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 22 TYR HN 26 VAL HB 5.15 (#peak 177)
&rst
ifntyp= 1, ixpk= 177, nxpk= 0, iat= 329, 395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 28 LEU HN 33 GLN HB2 5.50 (#peak 178)
&rst
ifntyp= 1, ixpk= 178, nxpk= 0, iat= 421, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU HN 30 GLU HB3 5.50 (#peak 179)
&rst
ifntyp= 1, ixpk= 179, nxpk= 0, iat= 421, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA QB 16 PHE HN 3.96 (#peak 180)
&rst
ifntyp= 1, ixpk= 180, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 207, 208, 209,
&end
#
# 28 LEU HN 28 LEU QD1 4.76 (#peak 181)
&rst
ifntyp= 1, ixpk= 181, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 430, 431, 432,
&end
#
# 35 LEU HN 35 LEU QD1 5.17 (#peak 182)
&rst
ifntyp= 1, ixpk= 182, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 530, 531, 532,
&end
#
# 35 LEU HN 35 LEU QD2 5.21 (#peak 183)
&rst
ifntyp= 1, ixpk= 183, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 534, 535, 536,
&end
#
# 28 LEU HN 28 LEU QD2 4.67 (#peak 184)
&rst
ifntyp= 1, ixpk= 184, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 434, 435, 436,
&end
#
# 28 LEU QD1 30 GLU HN 5.26 (#peak 185)
&rst
ifntyp= 1, ixpk= 185, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 430, 431, 432,
&end
#
# 28 LEU QD2 30 GLU HN 5.21 (#peak 186)
&rst
ifntyp= 1, ixpk= 186, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 434, 435, 436,
&end
#
# 5 LEU QD2 6 ASP HN 4.80 (#peak 187)
&rst
ifntyp= 1, ixpk= 187, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 86, 87, 88,
&end
#
# 5 LEU QD1 6 ASP HN 4.98 (#peak 188)
&rst
ifntyp= 1, ixpk= 188, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 82, 83, 84,
&end
#
# 17 TRP HD1 21 ABU HA 5.38 (#peak 197)
&rst
ifntyp= 1, ixpk= 197, nxpk= 0, iat= 272, 318, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 22 TYR HB3 22 TYR QD 3.59 (#peak 199)
&rst
ifntyp= 1, ixpk= 199, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 337, 346,
&end
#
# 22 TYR HB2 22 TYR QD 3.54 (#peak 200)
&rst
ifntyp= 1, ixpk= 200, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 337, 346,
&end
#
# 33 GLN QG 34 ALA HN 5.31 (#peak 203)
&rst
ifntyp= 1, ixpk= 203, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 501, 502,
&end
#
# 8 NLE QE 8 NLE HN 5.00 (#peak 204)
&rst
ifntyp= 1, ixpk= 204, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 127, 128, 129,
&end
#
# 21 ABU QG 22 TYR QD 4.95 (#peak 208)
&rst
ifntyp= 1, ixpk= 208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 324, 325,
igr2= 337, 346,
&end
#
# 17 TRP HA 17 TRP HE3 3.73 (#peak 210)
&rst
ifntyp= 1, ixpk= 210, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 17 TRP HA 17 TRP HD1 4.59 (#peak 212)
&rst
ifntyp= 1, ixpk= 212, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 17 TRP HA 17 TRP HH2 4.21 (#peak 213)
&rst
ifntyp= 1, ixpk= 213, nxpk= 0, iat= 266, 279, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 7 ALA QB 8 NLE HA 4.69 (#peak 221)
&rst
ifntyp= 1, ixpk= 221, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 108, 109, 110,
&end
#
# 35 LEU HA 35 LEU HG 4.52 (#peak 224)
&rst
ifntyp= 1, ixpk= 224, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 4 LEU HA 4 LEU HG 3.43 (#peak 225)
&rst
ifntyp= 1, ixpk= 225, nxpk= 0, iat= 56, 61, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 4 LEU HA 4 LEU QB 3.37 (#peak 226)
&rst
ifntyp= 1, ixpk= 226, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 58, 59,
&end
#
# 24 ARG HA 24 ARG HB3 3.96 (#peak 227)
&rst
ifntyp= 1, ixpk= 227, nxpk= 0, iat= 362, 365, 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= 362, 364, 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= 362, 367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 21 ABU QB 21 ABU HA 3.61 (#peak 230)
&rst
ifntyp= 1, ixpk= 230, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 320, 321,
&end
#
# 9 ARG HA 9 ARG HG2 3.78 (#peak 231)
&rst
ifntyp= 1, ixpk= 231, nxpk= 0, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 9 ARG HA 9 ARG HB3 3.68 (#peak 232)
&rst
ifntyp= 1, ixpk= 232, nxpk= 0, iat= 135, 138, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 9 ARG HA 9 ARG HB2 3.88 (#peak 233)
&rst
ifntyp= 1, ixpk= 233, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 ARG HA 9 ARG HG3 3.67 (#peak 234)
&rst
ifntyp= 1, ixpk= 234, nxpk= 0, iat= 135, 141, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 24 ARG HB3 27 PRO HD2 4.01 (#peak 235)
&rst
ifntyp= 1, ixpk= 235, nxpk= 0, iat= 365, 408, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 33 GLN HA 33 GLN HB3 3.94 (#peak 236)
&rst
ifntyp= 1, ixpk= 236, nxpk= 0, iat= 496, 499, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 3 PRO QG 3 PRO HD2 3.98 (#peak 239)
&rst
ifntyp= 1, ixpk= 239, nxpk= 0, iat= -1, 41, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 44, 45,
&end
#
# 25 GLY QA 30 GLU HB2 3.86 (#peak 240)
&rst
ifntyp= 1, ixpk= 240, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 386, 387,
&end
#
# 26 VAL HA 26 VAL HB 4.39 (#peak 242)
&rst
ifntyp= 1, ixpk= 242, nxpk= 0, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 27 PRO HD2 30 GLU QG 4.50 (#peak 248)
&rst
ifntyp= 1, ixpk= 248, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 458, 459,
&end
#
# 22 TYR HB3 24 ARG HA 4.76 (#peak 252)
&rst
ifntyp= 1, ixpk= 252, nxpk= 0, iat= 334, 362, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 22 TYR HB2 24 ARG HA 4.52 (#peak 253)
&rst
ifntyp= 1, ixpk= 253, nxpk= 0, iat= 333, 362, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 16 PHE QB 19 ALA HA 4.41 (#peak 254)
&rst
ifntyp= 1, ixpk= 254, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 248, 249,
&end
#
# 10 ARG HA 10 ARG QD 4.01 (#peak 255)
&rst
ifntyp= 1, ixpk= 255, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 167, 168,
&end
#
# 24 ARG HA 24 ARG QD 4.47 (#peak 256)
&rst
ifntyp= 1, ixpk= 256, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 370, 371,
&end
#
# 9 ARG HA 9 ARG QD 3.96 (#peak 257)
&rst
ifntyp= 1, ixpk= 257, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 143, 144,
&end
#
# 18 SER HB2 19 ALA HA 4.48 (#peak 264)
&rst
ifntyp= 1, ixpk= 264, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 24 ARG QD 25 GLY QA 4.71 (#peak 265)
&rst
ifntyp= 1, ixpk= 265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 370, 371,
igr2= 386, 387,
&end
#
# 21 ABU HA 24 ARG HB3 4.49 (#peak 266)
&rst
ifntyp= 1, ixpk= 266, nxpk= 0, iat= 318, 365, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 28 LEU HA 28 LEU QD1 4.39 (#peak 267)
&rst
ifntyp= 1, ixpk= 267, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 430, 431, 432,
&end
#
# 28 LEU HA 28 LEU QD2 4.19 (#peak 268)
&rst
ifntyp= 1, ixpk= 268, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 434, 435, 436,
&end
#
# 8 NLE QE 8 NLE HA 4.56 (#peak 274)
&rst
ifntyp= 1, ixpk= 274, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 127, 128, 129,
&end
#
# 21 ABU HA 26 VAL QQG 4.37 (#peak 276)
&rst
ifntyp= 1, ixpk= 276, nxpk= 0, iat= 318, 394, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 8 NLE QD 9 ARG HA 4.12 (#peak 280)
&rst
ifntyp= 1, ixpk= 280, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 124, 125,
&end
#
# 24 ARG HB2 27 PRO HD3 4.26 (#peak 282)
&rst
ifntyp= 1, ixpk= 282, nxpk= 0, iat= 364, 409, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 10 ARG HG3 10 ARG QD 3.34 (#peak 284)
&rst
ifntyp= 1, ixpk= 284, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 167, 168,
&end
#
# 24 ARG HG2 24 ARG QD 3.57 (#peak 285)
&rst
ifntyp= 1, ixpk= 285, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 370, 371,
&end
#
# 24 ARG HB3 24 ARG QD 3.42 (#peak 286)
&rst
ifntyp= 1, ixpk= 286, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 370, 371,
&end
#
# 10 ARG HG2 10 ARG QD 3.56 (#peak 287)
&rst
ifntyp= 1, ixpk= 287, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 167, 168,
&end
#
# 10 ARG QB 10 ARG QD 3.44 (#peak 288)
&rst
ifntyp= 1, ixpk= 288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 161, 162,
igr2= 167, 168,
&end
#
# 30 GLU HB2 30 GLU QG 3.56 (#peak 291)
&rst
ifntyp= 1, ixpk= 291, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 458, 459,
&end
#
# 27 PRO HG3 27 PRO QB 3.23 (#peak 296)
&rst
ifntyp= 1, ixpk= 296, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 414, 415,
&end
#
# 27 PRO QB 30 GLU HB2 3.80 (#peak 297)
&rst
ifntyp= 1, ixpk= 297, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 414, 415,
&end
#
# 10 ARG HG3 10 ARG HG2 3.05 (#peak 299)
&rst
ifntyp= 1, ixpk= 299, nxpk= 0, iat= 165, 164, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 9 ARG HB3 9 ARG HG3 3.31 (#peak 301)
&rst
ifntyp= 1, ixpk= 301, nxpk= 0, iat= 138, 141, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 24 ARG HB2 24 ARG HB3 3.12 (#peak 302)
&rst
ifntyp= 1, ixpk= 302, nxpk= 0, iat= 364, 365, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 11 GLU QB 11 GLU HG3 4.20 (#peak 303)
&rst
ifntyp= 1, ixpk= 303, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 185, 186,
&end
#
# 11 GLU QB 11 GLU HG2 4.26 (#peak 304)
&rst
ifntyp= 1, ixpk= 304, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 185, 186,
&end
#
# 10 ARG QB 11 GLU HG3 3.48 (#peak 305)
&rst
ifntyp= 1, ixpk= 305, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 161, 162,
&end
#
# 30 GLU HB3 30 GLU QG 3.95 (#peak 306)
&rst
ifntyp= 1, ixpk= 306, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 458, 459,
&end
#
# 32 PRO QB 32 PRO HG2 3.63 (#peak 307)
&rst
ifntyp= 1, ixpk= 307, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 487, 488,
&end
#
# 32 PRO QB 32 PRO HG3 3.09 (#peak 308)
&rst
ifntyp= 1, ixpk= 308, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 487, 488,
&end
#
# 33 GLN HB2 33 GLN QG 3.96 (#peak 309)
&rst
ifntyp= 1, ixpk= 309, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 501, 502,
&end
#
# 21 ABU QB 21 ABU QG 3.36 (#peak 311)
&rst
ifntyp= 1, ixpk= 311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 320, 321,
igr2= 324, 325,
&end
#
# 21 ABU QG 21 ABU HA 3.61 (#peak 312)
&rst
ifntyp= 1, ixpk= 312, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 324, 325,
&end
#
# 21 ABU QG 22 TYR HA 4.60 (#peak 314)
&rst
ifntyp= 1, ixpk= 314, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 324, 325,
&end
#
# 35 LEU HA 35 LEU QD2 3.75 (#peak 315)
&rst
ifntyp= 1, ixpk= 315, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 534, 535, 536,
&end
#
# 35 LEU HA 35 LEU QD1 4.81 (#peak 316)
&rst
ifntyp= 1, ixpk= 316, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 530, 531, 532,
&end
#
# 4 LEU HA 4 LEU QD1 3.50 (#peak 317)
&rst
ifntyp= 1, ixpk= 317, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 63, 64, 65,
&end
#
# 4 LEU HA 4 LEU QD2 3.78 (#peak 318)
&rst
ifntyp= 1, ixpk= 318, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 67, 68, 69,
&end
#
# 5 LEU HA 5 LEU QD1 3.73 (#peak 319)
&rst
ifntyp= 1, ixpk= 319, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 82, 83, 84,
&end
#
# 5 LEU HA 5 LEU QD2 3.47 (#peak 320)
&rst
ifntyp= 1, ixpk= 320, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 86, 87, 88,
&end
#
# 25 GLY QA 26 VAL QQG 4.05 (#peak 321)
&rst
ifntyp= 1, ixpk= 321, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 386, 387,
&end
#
# 27 PRO HD3 28 LEU QD1 4.04 (#peak 322)
&rst
ifntyp= 1, ixpk= 322, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 430, 431, 432,
&end
#
# 27 PRO HD2 28 LEU QD1 4.17 (#peak 323)
&rst
ifntyp= 1, ixpk= 323, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 430, 431, 432,
&end
#
# 26 VAL QQG 27 PRO HD2 4.31 (#peak 324)
&rst
ifntyp= 1, ixpk= 324, nxpk= 0, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 26 VAL QQG 27 PRO HD3 4.18 (#peak 325)
&rst
ifntyp= 1, ixpk= 325, nxpk= 0, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 5 LEU HA 5 LEU QB 3.71 (#peak 330)
&rst
ifntyp= 1, ixpk= 330, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 77, 78,
&end
#
# 7 ALA HA 7 ALA QB 3.08 (#peak 333)
&rst
ifntyp= 1, ixpk= 333, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 108, 109, 110,
&end
#
# 23 ALA HA 23 ALA QB 3.18 (#peak 334)
&rst
ifntyp= 1, ixpk= 334, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 354, 355, 356,
&end
#
# 13 ALA HA 13 ALA QB 3.07 (#peak 335)
&rst
ifntyp= 1, ixpk= 335, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 207, 208, 209,
&end
#
# 19 ALA HA 19 ALA QB 3.10 (#peak 336)
&rst
ifntyp= 1, ixpk= 336, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 303, 304, 305,
&end
#
# 35 LEU HA 35 LEU QB 3.92 (#peak 337)
&rst
ifntyp= 1, ixpk= 337, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 525, 526,
&end
#
# 34 ALA HA 34 ALA QB 3.28 (#peak 338)
&rst
ifntyp= 1, ixpk= 338, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 515, 516, 517,
&end
#
# 28 LEU HA 28 LEU QB 4.01 (#peak 339)
&rst
ifntyp= 1, ixpk= 339, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 425, 426,
&end
#
# 20 GLY QA 23 ALA QB 4.28 (#peak 342)
&rst
ifntyp= 1, ixpk= 342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 311, 312,
igr2= 354, 355, 356,
&end
#
# 22 TYR HA 23 ALA QB 4.67 (#peak 345)
&rst
ifntyp= 1, ixpk= 345, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 354, 355, 356,
&end
#
# 9 ARG HB3 10 ARG HA 3.54 (#peak 349)
&rst
ifntyp= 1, ixpk= 349, nxpk= 0, iat= 138, 159, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 11 GLU HA 11 GLU QB 4.01 (#peak 350)
&rst
ifntyp= 1, ixpk= 350, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 185, 186,
&end
#
# 27 PRO HD3 27 PRO HG3 3.72 (#peak 351)
&rst
ifntyp= 1, ixpk= 351, nxpk= 0, iat= 409, 412, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 27 PRO HD3 30 GLU HB2 3.95 (#peak 352)
&rst
ifntyp= 1, ixpk= 352, nxpk= 0, iat= 409, 455, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 1 ARG HA 3 PRO QG 3.78 (#peak 353)
&rst
ifntyp= 1, ixpk= 353, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 44, 45,
&end
#
# 11 GLU HA 11 GLU HG3 4.13 (#peak 354)
&rst
ifntyp= 1, ixpk= 354, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 11 GLU HA 11 GLU HG2 4.24 (#peak 355)
&rst
ifntyp= 1, ixpk= 355, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 GLU HA 30 GLU QG 4.57 (#peak 356)
&rst
ifntyp= 1, ixpk= 356, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 458, 459,
&end
#
# 30 GLU HA 30 GLU HB3 4.81 (#peak 357)
&rst
ifntyp= 1, ixpk= 357, nxpk= 0, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 30 GLU HA 30 GLU HB2 4.47 (#peak 358)
&rst
ifntyp= 1, ixpk= 358, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 2 ASP HA 2 ASP HB2 4.49 (#peak 359)
&rst
ifntyp= 1, ixpk= 359, nxpk= 0, iat= 30, 32, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 2 ASP HA 2 ASP HB3 4.31 (#peak 360)
&rst
ifntyp= 1, ixpk= 360, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 6 ASP HA 6 ASP QB 3.56 (#peak 361)
&rst
ifntyp= 1, ixpk= 361, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 96, 97,
&end
#
# 15 ASP HA 15 ASP HB2 4.07 (#peak 362)
&rst
ifntyp= 1, ixpk= 362, nxpk= 0, iat= 234, 236, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 15 ASP HA 15 ASP HB3 4.00 (#peak 363)
&rst
ifntyp= 1, ixpk= 363, nxpk= 0, iat= 234, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 TYR HA 22 TYR HB3 3.90 (#peak 364)
&rst
ifntyp= 1, ixpk= 364, nxpk= 0, iat= 331, 334, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 22 TYR HA 22 TYR HB2 3.93 (#peak 365)
&rst
ifntyp= 1, ixpk= 365, nxpk= 0, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 16 PHE HA 16 PHE QB 3.88 (#peak 366)
&rst
ifntyp= 1, ixpk= 366, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 248, 249,
&end
#
# 29 SER HA 29 SER QB 3.59 (#peak 367)
&rst
ifntyp= 1, ixpk= 367, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 444, 445,
&end
#
# 18 SER HA 18 SER HB3 3.81 (#peak 368)
&rst
ifntyp= 1, ixpk= 368, nxpk= 0, iat= 290, 293, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 SER HA 18 SER HB2 3.72 (#peak 369)
&rst
ifntyp= 1, ixpk= 369, nxpk= 0, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 VAL HA 27 PRO HD2 3.67 (#peak 370)
&rst
ifntyp= 1, ixpk= 370, nxpk= 0, iat= 393, 408, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 27 PRO HD2 27 PRO HD3 3.28 (#peak 371)
&rst
ifntyp= 1, ixpk= 371, nxpk= 0, iat= 408, 409, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 32 PRO HD2 32 PRO HD3 3.22 (#peak 372)
&rst
ifntyp= 1, ixpk= 372, nxpk= 0, iat= 481, 482, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 5 LEU HN 5 LEU HG 4.07 (#peak 376)
&rst
ifntyp= 1, ixpk= 376, nxpk= 0, iat= 73, 80, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 7 ALA HN 7 ALA QB 3.48 (#peak 382)
&rst
ifntyp= 1, ixpk= 382, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 108, 109, 110,
&end
#
# 13 ALA HN 13 ALA QB 3.43 (#peak 391)
&rst
ifntyp= 1, ixpk= 391, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 207, 208, 209,
&end
#
# 23 ALA HN 23 ALA QB 3.45 (#peak 392)
&rst
ifntyp= 1, ixpk= 392, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 354, 355, 356,
&end
#
# 19 ALA HN 19 ALA QB 3.40 (#peak 393)
&rst
ifntyp= 1, ixpk= 393, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 303, 304, 305,
&end
#
# 21 ABU HN 23 ALA QB 3.81 (#peak 394)
&rst
ifntyp= 1, ixpk= 394, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 354, 355, 356,
&end
#
# 8 NLE QD 10 ARG HN 4.20 (#peak 395)
&rst
ifntyp= 1, ixpk= 395, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 124, 125,
&end
#
# 19 ALA QB 20 GLY HN 3.86 (#peak 396)
&rst
ifntyp= 1, ixpk= 396, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 303, 304, 305,
&end
#
# 10 ARG HG2 11 GLU HN 4.52 (#peak 397)
&rst
ifntyp= 1, ixpk= 397, nxpk= 0, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 5 LEU QB 6 ASP HN 4.30 (#peak 398)
&rst
ifntyp= 1, ixpk= 398, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 77, 78,
&end
#
# 7 ALA QB 8 NLE HN 3.81 (#peak 399)
&rst
ifntyp= 1, ixpk= 399, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 108, 109, 110,
&end
#
# 4 LEU HN 4 LEU HG 3.76 (#peak 400)
&rst
ifntyp= 1, ixpk= 400, nxpk= 0, iat= 54, 61, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 33 GLN HN 33 GLN HB2 4.42 (#peak 403)
&rst
ifntyp= 1, ixpk= 403, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 3 PRO QG 4 LEU HN 4.73 (#peak 405)
&rst
ifntyp= 1, ixpk= 405, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 44, 45,
&end
#
# 22 TYR HB2 23 ALA HN 4.20 (#peak 413)
&rst
ifntyp= 1, ixpk= 413, nxpk= 0, iat= 333, 350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 ASP HB3 16 PHE HN 4.78 (#peak 420)
&rst
ifntyp= 1, ixpk= 420, nxpk= 0, iat= 237, 244, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 21 ABU HN 21 ABU HA 3.81 (#peak 421)
&rst
ifntyp= 1, ixpk= 421, nxpk= 0, iat= 316, 318, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 9 ARG HA 10 ARG HN 4.34 (#peak 424)
&rst
ifntyp= 1, ixpk= 424, nxpk= 0, iat= 135, 157, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 ARG HA 13 ALA HN 4.77 (#peak 425)
&rst
ifntyp= 1, ixpk= 425, nxpk= 0, iat= 135, 203, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 9 ARG HN 9 ARG HA 3.90 (#peak 427)
&rst
ifntyp= 1, ixpk= 427, nxpk= 0, iat= 133, 135, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 SER HN 18 SER HB3 4.20 (#peak 430)
&rst
ifntyp= 1, ixpk= 430, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 SER QB 30 GLU HN 3.82 (#peak 431)
&rst
ifntyp= 1, ixpk= 431, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 444, 445,
&end
#
# 18 SER HB3 19 ALA HN 3.79 (#peak 432)
&rst
ifntyp= 1, ixpk= 432, nxpk= 0, iat= 293, 299, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 GLY QA 30 GLU HN 4.28 (#peak 433)
&rst
ifntyp= 1, ixpk= 433, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 386, 387,
&end
#
# 24 ARG HN 24 ARG HA 4.18 (#peak 439)
&rst
ifntyp= 1, ixpk= 439, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 10 ARG HN 10 ARG HA 3.39 (#peak 440)
&rst
ifntyp= 1, ixpk= 440, nxpk= 0, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 ALA HN 19 ALA HA 3.90 (#peak 441)
&rst
ifntyp= 1, ixpk= 441, nxpk= 0, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 4 LEU HA 8 NLE HN 4.01 (#peak 442)
&rst
ifntyp= 1, ixpk= 442, nxpk= 0, iat= 56, 114, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 PRO HA 30 GLU HN 4.70 (#peak 444)
&rst
ifntyp= 1, ixpk= 444, nxpk= 0, iat= 417, 451, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 LEU HA 6 ASP HN 4.01 (#peak 445)
&rst
ifntyp= 1, ixpk= 445, nxpk= 0, iat= 56, 92, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 35 LEU HN 35 LEU HA 3.91 (#peak 446)
&rst
ifntyp= 1, ixpk= 446, nxpk= 0, iat= 521, 523, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 6 ASP HN 7 ALA HN 4.04 (#peak 450)
&rst
ifntyp= 1, ixpk= 450, nxpk= 0, iat= 92, 104, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 25 GLY HN 26 VAL HN 3.95 (#peak 451)
&rst
ifntyp= 1, ixpk= 451, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 2 ASP HN 2 ASP HB2 4.24 (#peak 452)
&rst
ifntyp= 1, ixpk= 452, nxpk= 0, iat= 28, 32, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 2 ASP HN 2 ASP HB3 4.20 (#peak 453)
&rst
ifntyp= 1, ixpk= 453, nxpk= 0, iat= 28, 33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1 ARG QG 2 ASP HN 4.64 (#peak 454)
&rst
ifntyp= 1, ixpk= 454, nxpk= 0, iat= -1, 28, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 11, 12,
&end
#
# 26 VAL HA 27 PRO HD3 3.60 (#peak 455)
&rst
ifntyp= 1, ixpk= 455, nxpk= 0, iat= 393, 409, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 27 PRO HA 27 PRO HD3 4.87 (#peak 458)
&rst
ifntyp= 1, ixpk= 458, nxpk= 0, iat= 417, 409, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 27 PRO HA 27 PRO QB 3.79 (#peak 459)
&rst
ifntyp= 1, ixpk= 459, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 414, 415,
&end
#
# 27 PRO HA 27 PRO HG2 4.24 (#peak 460)
&rst
ifntyp= 1, ixpk= 460, nxpk= 0, iat= 417, 411, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 27 PRO HA 27 PRO HG3 3.79 (#peak 461)
&rst
ifntyp= 1, ixpk= 461, nxpk= 0, iat= 417, 412, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 26 VAL HA 27 PRO HG3 4.33 (#peak 462)
&rst
ifntyp= 1, ixpk= 462, nxpk= 0, iat= 393, 412, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 27 PRO HD2 27 PRO QB 4.16 (#peak 463)
&rst
ifntyp= 1, ixpk= 463, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 414, 415,
&end
#
# 27 PRO HD2 27 PRO HG2 3.75 (#peak 464)
&rst
ifntyp= 1, ixpk= 464, nxpk= 0, iat= 408, 411, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 27 PRO HD2 27 PRO HG3 3.63 (#peak 465)
&rst
ifntyp= 1, ixpk= 465, nxpk= 0, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 27 PRO HG2 27 PRO QB 3.77 (#peak 466)
&rst
ifntyp= 1, ixpk= 466, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 414, 415,
&end
#
# 30 GLU HA 31 PRO HD2 3.76 (#peak 471)
&rst
ifntyp= 1, ixpk= 471, nxpk= 0, iat= 453, 467, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 30 GLU HA 31 PRO HD3 3.80 (#peak 472)
&rst
ifntyp= 1, ixpk= 472, nxpk= 0, iat= 453, 468, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 32 PRO HA 32 PRO HD3 4.63 (#peak 473)
&rst
ifntyp= 1, ixpk= 473, nxpk= 0, iat= 490, 482, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 PRO HA 32 PRO QB 3.88 (#peak 474)
&rst
ifntyp= 1, ixpk= 474, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 487, 488,
&end
#
# 32 PRO HA 32 PRO HG2 3.83 (#peak 475)
&rst
ifntyp= 1, ixpk= 475, nxpk= 0, iat= 490, 484, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 32 PRO HA 32 PRO HG3 3.93 (#peak 476)
&rst
ifntyp= 1, ixpk= 476, nxpk= 0, iat= 490, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 32 PRO HD2 32 PRO QB 4.47 (#peak 477)
&rst
ifntyp= 1, ixpk= 477, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 487, 488,
&end
#
# 32 PRO HD2 32 PRO HG2 3.73 (#peak 478)
&rst
ifntyp= 1, ixpk= 478, nxpk= 0, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 PRO HD2 32 PRO HG3 4.63 (#peak 479)
&rst
ifntyp= 1, ixpk= 479, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 PRO HD3 32 PRO QB 4.32 (#peak 480)
&rst
ifntyp= 1, ixpk= 480, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 487, 488,
&end
#
# 27 PRO HD3 27 PRO HG2 3.44 (#peak 481)
&rst
ifntyp= 1, ixpk= 481, nxpk= 0, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 32 PRO HD3 32 PRO HG3 4.10 (#peak 482)
&rst
ifntyp= 1, ixpk= 482, nxpk= 0, iat= 482, 485, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 32 PRO HG2 32 PRO HG3 3.03 (#peak 483)
&rst
ifntyp= 1, ixpk= 483, nxpk= 0, iat= 484, 485, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 31 PRO HD2 32 PRO HG3 4.63 (#peak 490)
&rst
ifntyp= 1, ixpk= 490, nxpk= 0, iat= 467, 485, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 31 PRO HA 32 PRO HD2 3.80 (#peak 493)
&rst
ifntyp= 1, ixpk= 493, nxpk= 0, iat= 476, 481, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 PRO HD2 31 PRO HD3 3.11 (#peak 494)
&rst
ifntyp= 1, ixpk= 494, nxpk= 0, iat= 467, 468, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 31 PRO HA 32 PRO HD3 3.80 (#peak 495)
&rst
ifntyp= 1, ixpk= 495, nxpk= 0, iat= 476, 482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 PRO HA 31 PRO QB 4.12 (#peak 496)
&rst
ifntyp= 1, ixpk= 496, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 473, 474,
&end
#
# 31 PRO HA 31 PRO HG2 4.70 (#peak 497)
&rst
ifntyp= 1, ixpk= 497, nxpk= 0, iat= 476, 470, 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= 476, 471, 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= 467, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 473, 474,
&end
#
# 31 PRO HD2 31 PRO HG3 4.38 (#peak 500)
&rst
ifntyp= 1, ixpk= 500, nxpk= 0, iat= 467, 471, 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= 470, 467, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 GLN HA 33 GLN QG 4.25 (#peak 504)
&rst
ifntyp= 1, ixpk= 504, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 501, 502,
&end
#
# 33 GLN HA 33 GLN HB2 4.06 (#peak 505)
&rst
ifntyp= 1, ixpk= 505, nxpk= 0, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 VAL HA 26 VAL QQG 3.47 (#peak 507)
&rst
ifntyp= 1, ixpk= 507, nxpk= 0, iat= 393, 394, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 17 TRP HA 17 TRP HB2 4.00 (#peak 508)
&rst
ifntyp= 1, ixpk= 508, nxpk= 0, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 PRO QB 33 GLN HN 4.86 (#peak 509)
&rst
ifntyp= 1, ixpk= 509, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 487, 488,
&end
#
# 22 TYR HN 22 TYR QD 4.24 (#peak 510)
&rst
ifntyp= 1, ixpk= 510, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 337, 346,
&end
#
# 17 TRP HN 17 TRP HE3 4.84 (#peak 520)
&rst
ifntyp= 1, ixpk= 520, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 22 TYR HB3 22 TYR QE 4.65 (#peak 522)
&rst
ifntyp= 1, ixpk= 522, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 339, 344,
&end
#
# 22 TYR HB2 22 TYR QE 4.58 (#peak 523)
&rst
ifntyp= 1, ixpk= 523, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 339, 344,
&end
#
# 22 TYR HA 22 TYR QE 4.42 (#peak 524)
&rst
ifntyp= 1, ixpk= 524, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 339, 344,
&end
#
# 6 ASP HA 9 ARG HE 4.86 (#peak 525)
&rst
ifntyp= 1, ixpk= 525, nxpk= 0, iat= 94, 146, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 17 TRP HZ2 18 SER HA 4.85 (#peak 526)
&rst
ifntyp= 1, ixpk= 526, nxpk= 0, iat= 277, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 23 ALA HN 24 ARG HB3 4.57 (#peak 527)
&rst
ifntyp= 1, ixpk= 527, nxpk= 0, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 11 GLU HG3 11 GLU HG2 3.44 (#peak 529)
&rst
ifntyp= 1, ixpk= 529, nxpk= 0, iat= 189, 188, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 1 ARG QB 2 ASP HN 4.17 (#peak 530)
&rst
ifntyp= 1, ixpk= 530, nxpk= 0, iat= -1, 28, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 8, 9,
&end
#
# 1 ARG HA 2 ASP HN 4.76 (#peak 536)
&rst
ifntyp= 1, ixpk= 536, nxpk= 0, iat= 6, 28, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 3 PRO HD2 3 PRO HD3 3.85 (#peak 537)
&rst
ifntyp= 1, ixpk= 537, nxpk= 0, iat= 41, 42, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 1 ARG HA 4 LEU HN 4.68 (#peak 538)
&rst
ifntyp= 1, ixpk= 538, nxpk= 0, iat= 6, 54, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 8 NLE QD 8 NLE HN 4.05 (#peak 539)
&rst
ifntyp= 1, ixpk= 539, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 124, 125,
&end
#
# 28 LEU QD2 29 SER HN 4.37 (#peak 543)
&rst
ifntyp= 1, ixpk= 543, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 434, 435, 436,
&end
#
# 10 ARG HG2 11 GLU HA 4.64 (#peak 545)
&rst
ifntyp= 1, ixpk= 545, nxpk= 0, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 10 ARG QB 11 GLU HA 4.59 (#peak 546)
&rst
ifntyp= 1, ixpk= 546, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 161, 162,
&end
#
# 22 TYR HA 24 ARG HB3 4.88 (#peak 547)
&rst
ifntyp= 1, ixpk= 547, nxpk= 0, iat= 331, 365, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 4 LEU HA 5 LEU HN 4.75 (#peak 548)
&rst
ifntyp= 1, ixpk= 548, nxpk= 0, iat= 56, 73, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 ABU QG 21 ABU HN 3.87 (#peak 553)
&rst
ifntyp= 1, ixpk= 553, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 324, 325,
&end
#
# 31 PRO QB 33 GLN HN 4.98 (#peak 554)
&rst
ifntyp= 1, ixpk= 554, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 473, 474,
&end
#
# 11 GLU HN 11 GLU HG3 4.49 (#peak 555)
&rst
ifntyp= 1, ixpk= 555, nxpk= 0, iat= 181, 189, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 PRO HG3 34 ALA HN 5.23 (#peak 570)
&rst
ifntyp= 1, ixpk= 570, nxpk= 0, iat= 485, 511, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 28 LEU HA 29 SER HN 4.06 (#peak 573)
&rst
ifntyp= 1, ixpk= 573, nxpk= 0, iat= 423, 440, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 18 SER HA 19 ALA HN 4.02 (#peak 574)
&rst
ifntyp= 1, ixpk= 574, nxpk= 0, iat= 290, 299, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 34 ALA HA 35 LEU HN 3.91 (#peak 576)
&rst
ifntyp= 1, ixpk= 576, nxpk= 0, iat= 513, 521, 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= 203, 205, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 6 ASP HA 7 ALA HN 4.37 (#peak 578)
&rst
ifntyp= 1, ixpk= 578, nxpk= 0, iat= 94, 104, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 7 ALA HN 7 ALA HA 3.55 (#peak 579)
&rst
ifntyp= 1, ixpk= 579, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 4 LEU HN 4 LEU QD1 4.36 (#peak 582)
&rst
ifntyp= 1, ixpk= 582, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 63, 64, 65,
&end
#
# 4 LEU HN 4 LEU QD2 4.48 (#peak 583)
&rst
ifntyp= 1, ixpk= 583, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 67, 68, 69,
&end
#
# 26 VAL HN 26 VAL QQG 3.64 (#peak 584)
&rst
ifntyp= 1, ixpk= 584, nxpk= 0, iat= 391, 394, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 5 LEU HN 5 LEU QD1 4.15 (#peak 585)
&rst
ifntyp= 1, ixpk= 585, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 82, 83, 84,
&end
#
# 5 LEU HN 5 LEU QD2 4.20 (#peak 586)
&rst
ifntyp= 1, ixpk= 586, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 86, 87, 88,
&end
#
# 21 ABU QB 23 ALA HN 4.03 (#peak 587)
&rst
ifntyp= 1, ixpk= 587, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 320, 321,
&end
#
# 34 ALA HN 34 ALA QB 3.68 (#peak 589)
&rst
ifntyp= 1, ixpk= 589, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 515, 516, 517,
&end
#
# 26 VAL HA 28 LEU QD2 3.46 (#peak 590)
&rst
ifntyp= 1, ixpk= 590, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 434, 435, 436,
&end
#
# 1 ARG QB 3 PRO HA 3.64 (#peak 591)
&rst
ifntyp= 1, ixpk= 591, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 8, 9,
&end
#
# 3 PRO QG 4 LEU HA 3.40 (#peak 592)
&rst
ifntyp= 1, ixpk= 592, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 44, 45,
&end
#
# 27 PRO HD3 27 PRO QB 4.50 (#peak 593)
&rst
ifntyp= 1, ixpk= 593, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 414, 415,
&end
#
# 33 GLN HB3 33 GLN QG 3.92 (#peak 595)
&rst
ifntyp= 1, ixpk= 595, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 501, 502,
&end
#
# 2 ASP HN 3 PRO HA 3.43 (#peak 596)
&rst
ifntyp= 1, ixpk= 596, nxpk= 0, iat= 28, 50, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 30 GLU HN 35 LEU HN 4.31 (#peak 597)
&rst
ifntyp= 1, ixpk= 597, nxpk= 0, iat= 451, 521, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 14 NLE O 18 SER HN 1.80
&rst
ifntyp= 1, ixpk= 597, nxpk= 0, iat= 230, 288, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 10 ARG O 14 NLE HN 1.80
&rst
ifntyp= 1, ixpk= 597, nxpk= 0, iat= 179, 213, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 9 ARG O 13 ALA HN 1.80
&rst
ifntyp= 1, ixpk= 597, nxpk= 0, iat= 155, 203, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 11 GLU O 15 ASP HN 1.80
&rst
ifntyp= 1, ixpk= 597, nxpk= 0, iat= 194, 232, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 8 NLE O 12 GLY HN 1.80 &rst
ifntyp= 1, ixpk= 597, nxpk= 0, iat= 131, 196, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
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